A0A077ZFL1_TRITR Loading...

Latrophilin Cirl

AlphaFold DB , UniProt , Accession A0A077ZFL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,113 aa.

						>A0A077ZFL1_TRITR|A0A077ZFL1
MPPFNGKSTDCVVTILLATLEYELSRQCYRLTKKSGGGGQLTKYACEREVMTISCPPKHVIRIIRANYGRFSLHVCNDDGINWSNTQCMDPASTEVMISRCDSRPYCVVTASDYTFRDRCFDTVKYLETTYECVDQSEPVDLSSEEIHTTAQADDVAKVDATPTTSQPQVDKEQQTVAIHPTKKTWTWPFLTTDIAKSVDVETPPLLEQGQIFFVHDNNDDYCPMAEERGVKLPRTKAGTLLHLPCPNNAYEHVEVQCGLDAQWQLAQLDISHCLSSWIKDMLSADLFASNASVAEAIANLRSIPGRHRDLYGGDITEVSSFVKRLIKVSTQVYAQQSYQEQRRSYANLSKVVTETFSFLLSPQNLKAWKHMPFDQQRYAAQLLMSSVEESALMLSASMLPAADTHTVWSPQIVLEVSTVPMQNHLQYPTSSLYRQTDDTVRLPASSIVASDQRWFKLVYISYNGLGELLRPIDSNGESVRRRVASNVVTLVVPKESRLSDLAEPILLSFHSPKSLGGKNAHCVFWDSNALGASGISGEWSKEGCSLAGQNETHVTCSCNHLTSFAVLMDIHGIEFSSSDKLALTFISYFGCVVSVICLAATLATFSLFKFLQCERTTIHKNLCLCLLVAELVYMFGIWQTTDRVTCGIVAVLLHYFFLAAFAWMLLEGFQLYSLLVEVFESGHNRRTCFYCFGYGAPFVVVSVSLIIGWSSYGTEQYCWLNTENYFVFSFVGPVIVVLAANFVLLFISMAIIARHVPYSRAPQNPDKSAFLNRIKFWIKGAFILVVLLGLTWSLGILLVSQSAVAIAYMFTILNSLQGLFIFCFQVLMNKKVRDGWKMWFVRSLFPREWSNQQYRGCYASAECNGGKLCREACSKQQAYNAHLQNAYCHNGDALCSTKTSSGTIPDSFSAAPCFLATEKLGKREYALYLPRNGVRKSLRLYGAGFSRPPPSVPPPQPPSDYSLTQVPMEYGHTSICPLDSVRCQRHQSCFGEESPTVYERVNQDFYSTCGASDCLACSSSVEALLYRGATNGGVRDVGTQSSTYGWQYVMPLEAEAARCGNLVPSSCALSNGQISASKGDVVVCRSCTDSSYEVPNSSPERCACTCRARTLI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	37.9	Very low	238 Å²	238	125 Å²	125	100%	1.172	70%	0.698	S	S	*	*				0	134.6	0	-69.3	166	175.5	0	0	107.1
2	P	32.7	Very low	38.3	Very low	115 Å²	115	121 Å²	121	75%	0.747	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-75.1	152.7	-167.2	30.6	-35.2	0	0	0	112.7
3	P	35.3	Very low	39.2	Very low	119 Å²	119	114.2 Å²	114.2	77%	0.773	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-76.6	133.3	-178.5	31.5	-34.3	0	0	0	111.5
4	F	36.1	Very low	40	Very low	211 Å²	211	112.6 Å²	112.6	93%	0.925	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-79.9	125.5	168.6	-98	-92.3	0	0	0	110.1	G6	F4-G6 PolarHBondContact O-N 2.63Å
5	N	35.4	Very low	40.9	Very low	146 Å²	146	111.8 Å²	111.8	78%	0.781	63%	0.628	S	S	*	*			trans	-66.1	112.3	178.2	-80.1	-38.9	0	0	0	111.3	K7	N5-K7 PolarHBondContact O-N 2.95Å
6	G	38.8	Very low	41.5	Very low	48 Å²	48	110.1 Å²	110.1	50%	0.495	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	58.4	177.6	0	0	0	0	0	114.5	F4	F4-G6 PolarHBondContact O-N 2.63Å
7	K	37.8	Very low	42.3	Very low	184 Å²	184	105 Å²	105	80%	0.8	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-8.7	167.9	-74.1	-169.3	174.7	-175.3	0	113.7	N5	N5-K7 PolarHBondContact O-N 2.95Å
8	S	39.7	Very low	43.1	Very low	85 Å²	85	101.9 Å²	101.9	59%	0.594	58%	0.578	S	S	*	*	S	Bend	trans	-95.8	-36.9	-178.9	-158.6	0	0	0	0	112.5	D10 V12	S8-D10 PolarHBondContact O-N 3.45Å; S8-V12 WeakPolarHBondContact O-CG2 2.85Å; S8-V12 PolarHBondContact O-N 3.2Å
9	T	42.5	Very low	43.9	Very low	77 Å²	77	100.3 Å²	100.3	47%	0.472	57%	0.57	S	S	.	*	H	α-helix	trans	-61.9	-41.1	179.3	38.4	0	0	0	0	113	C11 V12 V13	T9-C11 PolarHBondContact O-N 2.8Å; T9-V12 PolarHBondContact O-N 3.05Å; T9-V12 VanDerWaalsContact O-N 3.14Å; T9-V13 PolarHBondContact O-N 3.44Å
10	D	45.4	Very low	44.5	Very low	77 Å²	77	98.8 Å²	98.8	41%	0.412	56%	0.56	S	S	.	*	H	α-helix	trans	-68.4	-39.4	-174.1	-54.9	-5.7	0	0	0	111.2	S8 T14	S8-D10 PolarHBondContact O-N 3.45Å; D10-T14 WeakPolarHBondContact O-CB 3.45Å; D10-T14 PolarHBondContact O-N 3.4Å; D10-T14 PolarHBondContact O-OG1 2.86Å
11	C	39.4	Very low	45.3	Very low	75 Å²	75	97.3 Å²	97.3	51%	0.507	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-47.1	169.5	-79.6	0	0	0	0	111.3	T9 T14 I15	T9-C11 PolarHBondContact O-N 2.8Å; C11-T14 PolarHBondContact O-N 3.44Å; C11-I15 HydrophobicContact CB-CD1 4.24Å; C11-I15 WeakPolarHBondContact O-CB 3.38Å; C11-I15 WeakPolarHBondContact O-CD1 3.39Å; C11-I15 WeakPolarHBondContact O-CG1 3.44Å; C11-I15 PolarHBondContact O-N 3.06Å
12	V	43.8	Very low	46.4	Very low	77 Å²	77	92.9 Å²	92.9	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-44.8	-176.5	173.1	0	0	0	0	112	S8 T9 L16	S8-V12 WeakPolarHBondContact O-CG2 2.85Å; S8-V12 PolarHBondContact O-N 3.2Å; T9-V12 PolarHBondContact O-N 3.05Å; T9-V12 VanDerWaalsContact O-N 3.14Å; V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 VanDerWaalsContact O-CB 3.29Å; V12-L16 WeakPolarHBondContact O-CB 3.49Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 2.69Å
13	V	49	Very low	47.7	Very low	33 Å²	33	90.5 Å²	90.5	20%	0.2	50%	0.498	C	S	.	.	H	α-helix	trans	-67.6	-44.2	177.9	178.7	0	0	0	0	110.9	T9 I15 L16 L17 V704 I708	T9-V13 PolarHBondContact O-N 3.44Å; V13-I15 PolarHBondContact O-N 3.05Å; V13-L16 PolarHBondContact O-N 3.16Å; V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 HydrophobicContact CG1-CG 4.35Å; V13-L17 WeakPolarHBondContact O-CB 3.18Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.07Å; V13-V704 HydrophobicContact CG2-CG1 4.37Å; V13-I708 HydrophobicContact CG2-CD1 3.71Å
14	T	51	Low	48.4	Very low	92 Å²	92	87.4 Å²	87.4	56%	0.564	48%	0.475	S	S	*	.	H	α-helix	trans	-64.2	-40.3	178.3	-53.1	0	0	0	0	111.8	D10 C11 A18	D10-T14 WeakPolarHBondContact O-CB 3.45Å; D10-T14 PolarHBondContact O-N 3.4Å; D10-T14 PolarHBondContact O-OG1 2.86Å; C11-T14 PolarHBondContact O-N 3.44Å; T14-A18 WeakPolarHBondContact O-CB 3.41Å; T14-A18 PolarHBondContact O-N 3.31Å
15	I	53.2	Low	49.3	Very low	100 Å²	100	81 Å²	81	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-68.7	-41.8	176.2	-69.1	164.8	0	0	0	110.7	C11 V13 L17 A18 T19	C11-I15 HydrophobicContact CB-CD1 4.24Å; C11-I15 WeakPolarHBondContact O-CB 3.38Å; C11-I15 WeakPolarHBondContact O-CD1 3.39Å; C11-I15 WeakPolarHBondContact O-CG1 3.44Å; C11-I15 PolarHBondContact O-N 3.06Å; V13-I15 PolarHBondContact O-N 3.05Å; I15-L17 PolarHBondContact O-N 2.9Å; I15-A18 PolarHBondContact O-N 3.05Å; I15-T19 HydrophobicContact CG2-CG2 4.2Å; I15-T19 VanDerWaalsContact O-CB 3.3Å; I15-T19 WeakPolarHBondContact O-CB 3.31Å; I15-T19 VanDerWaalsContact O-CG2 3.28Å; I15-T19 WeakPolarHBondContact O-CG2 3.43Å; I15-T19 PolarHBondContact O-N 3.4Å; I15-T19 PolarHBondContact O-OG1 3.34Å
16	L	50	Low	50.2	Low	84 Å²	84	78.3 Å²	78.3	44%	0.44	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-39.8	178	-76.6	171.5	0	0	0	111.9	V12 V13 T19 L20	V12-L16 HydrophobicContact CG1-CD1 3.77Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 VanDerWaalsContact O-CB 3.29Å; V12-L16 WeakPolarHBondContact O-CB 3.49Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 2.69Å; V13-L16 PolarHBondContact O-N 3.16Å; L16-T19 WeakPolarHBondContact CA-OG1 3.27Å; L16-T19 PolarHBondContact O-OG1 2.96Å; L16-T19 VanDerWaalsContact O-OG1 3.12Å; L16-L20 WeakPolarHBondContact O-CB 3.25Å; L16-L20 PolarHBondContact O-N 3.37Å
17	L	55.9	Low	50.9	Low	24 Å²	24	81.2 Å²	81.2	13%	0.126	44%	0.436	C	S	.	.	H	α-helix	trans	-70.4	-47.4	175.4	-67	176.6	0	0	0	111.6	V13 I15 T19 L20 E21 V700 V701 P734	V13-L17 HydrophobicContact CG1-CD1 3.92Å; V13-L17 HydrophobicContact CG1-CG 4.35Å; V13-L17 WeakPolarHBondContact O-CB 3.18Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.07Å; I15-L17 PolarHBondContact O-N 2.9Å; L17-T19 VanDerWaalsContact C-N 3.29Å; L17-T19 PolarHBondContact O-N 3.32Å; L17-L20 PolarHBondContact O-N 3Å; L17-E21 WeakPolarHBondContact O-CB 3.1Å; L17-E21 WeakPolarHBondContact O-CG 3.29Å; L17-E21 PolarHBondContact O-N 3.13Å; L17-V700 HydrophobicContact CD2-CG1 4.3Å; L17-V701 HydrophobicContact CD1-CG1 4.42Å; L17-V701 HydrophobicContact CD1-CG2 3.84Å; L17-V701 HydrophobicContact CD2-CB 4.34Å; L17-V701 HydrophobicContact CD2-CG2 3.5Å; L17-V701 HydrophobicContact CG-CG2 4.31Å; L17-P734 HydrophobicContact CD1-CG 4.36Å
18	A	56	Low	51.4	Low	50 Å²	50	74 Å²	74	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-33.8	177	0	0	0	0	0	112.6	T14 I15 Y22	T14-A18 WeakPolarHBondContact O-CB 3.41Å; T14-A18 PolarHBondContact O-N 3.31Å; I15-A18 PolarHBondContact O-N 3.05Å; A18-Y22 WeakPolarHBondContact O-CB 3.15Å; A18-Y22 PolarHBondContact O-N 2.91Å
19	T	59.4	Low	51.8	Low	71 Å²	71	76 Å²	76	44%	0.436	40%	0.404	S	S	.	.	H	α-helix	trans	-74.9	-35.3	174.6	51	0	0	0	0	112.5	I15 L16 L17 E23	I15-T19 HydrophobicContact CG2-CG2 4.2Å; I15-T19 VanDerWaalsContact O-CB 3.3Å; I15-T19 WeakPolarHBondContact O-CB 3.31Å; I15-T19 VanDerWaalsContact O-CG2 3.28Å; I15-T19 WeakPolarHBondContact O-CG2 3.43Å; I15-T19 PolarHBondContact O-N 3.4Å; I15-T19 PolarHBondContact O-OG1 3.34Å; L16-T19 WeakPolarHBondContact CA-OG1 3.27Å; L16-T19 PolarHBondContact O-OG1 2.96Å; L16-T19 VanDerWaalsContact O-OG1 3.12Å; L17-T19 VanDerWaalsContact C-N 3.29Å; L17-T19 PolarHBondContact O-N 3.32Å; T19-E23 WeakPolarHBondContact O-CB 3.3Å; T19-E23 PolarHBondContact O-N 2.83Å
20	L	56.3	Low	51.9	Low	70 Å²	70	79.3 Å²	79.3	37%	0.366	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-44.8	171.1	-115	115.9	0	0	0	112.2	L16 L17 E23 L24 V700	L16-L20 WeakPolarHBondContact O-CB 3.25Å; L16-L20 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 3Å; L20-E23 PolarHBondContact O-N 3.13Å; L20-L24 HydrophobicContact CD2-CD1 4.12Å; L20-L24 VanDerWaalsContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.31Å; L20-L24 PolarHBondContact O-N 2.59Å; L20-V700 HydrophobicContact CD1-CG1 4.09Å; L20-V700 HydrophobicContact CD2-CB 4.38Å; L20-V700 HydrophobicContact CD2-CG1 4.08Å; L20-V700 HydrophobicContact CD2-CG2 3.9Å
21	E	60.7	Low	51.8	Low	67 Å²	67	81.5 Å²	81.5	31%	0.313	42%	0.419	S	S	.	.	H	α-helix	trans	-60.8	-45.2	173.5	-75	-175.1	160.5	0	0	111	L17 S25	L17-E21 WeakPolarHBondContact O-CB 3.1Å; L17-E21 WeakPolarHBondContact O-CG 3.29Å; L17-E21 PolarHBondContact O-N 3.13Å; E21-S25 WeakPolarHBondContact O-CB 3.41Å; E21-S25 PolarHBondContact O-N 3.06Å
22	Y	55.6	Low	52	Low	146 Å²	146	81.6 Å²	81.6	57%	0.573	42%	0.417	S	S	*	.	H	α-helix	trans	-60.3	-48	176.1	-178.6	-97.8	0	0	0	111.4	A18 S25 R26	A18-Y22 WeakPolarHBondContact O-CB 3.15Å; A18-Y22 PolarHBondContact O-N 2.91Å; Y22-S25 PolarHBondContact O-N 3.42Å; Y22-R26 WeakPolarHBondContact O-CB 3.33Å; Y22-R26 PolarHBondContact O-N 3.08Å
23	E	59.9	Low	51.7	Low	64 Å²	64	84.2 Å²	84.2	30%	0.299	42%	0.422	S	S	.	.	H	α-helix	trans	-76.9	-32	-174.7	-148.2	62.5	-161.2	0	0	112.6	T19 L20 R26 Q27	T19-E23 WeakPolarHBondContact O-CB 3.3Å; T19-E23 PolarHBondContact O-N 2.83Å; L20-E23 PolarHBondContact O-N 3.13Å; E23-R26 WeakPolarHBondContact OE1-CD 3.2Å; E23-R26 IonicContact OE1-CZ 3.17Å; E23-R26 IonicContact OE1-NE 3.36Å; E23-R26 IonicContact OE1-NH1 2.78Å; E23-R26 PolarHBondContact OE1-NH1 2.68Å; E23-R26 VanDerWaalsContact OE2-CD 3.3Å; E23-R26 WeakPolarHBondContact OE2-CD 3.45Å; E23-R26 IonicContact OE2-NH1 2.72Å; E23-R26 PolarHBondContact OE2-NH1 3.03Å; E23-Q27 WeakPolarHBondContact O-CB 3.48Å; E23-Q27 VanDerWaalsContact O-CG 3.23Å; E23-Q27 WeakPolarHBondContact O-CG 3.41Å; E23-Q27 PolarHBondContact O-N 2.96Å
24	L	50.6	Low	51.1	Low	55 Å²	55	92.4 Å²	92.4	29%	0.288	46%	0.455	S	S	.	.	H	α-helix	trans	-65.9	-45.7	168.6	-76.1	167.8	0	0	0	111.6	L20 R26 Q27 C28	L20-L24 HydrophobicContact CD2-CD1 4.12Å; L20-L24 VanDerWaalsContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.31Å; L20-L24 PolarHBondContact O-N 2.59Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-Q27 PolarHBondContact O-N 2.76Å; L24-C28 WeakPolarHBondContact O-CB 3.46Å; L24-C28 PolarHBondContact O-N 2.91Å
25	S	55.2	Low	50.3	Low	75 Å²	75	93.2 Å²	93.2	52%	0.524	47%	0.465	S	S	.	.	H	α-helix	trans	-61.5	-43.1	174.9	-177.9	0	0	0	0	110.9	E21 Y22 C28 Y29	E21-S25 WeakPolarHBondContact O-CB 3.41Å; E21-S25 PolarHBondContact O-N 3.06Å; Y22-S25 PolarHBondContact O-N 3.42Å; S25-C28 PolarHBondContact O-N 3.17Å; S25-Y29 WeakPolarHBondContact O-CB 3.47Å; S25-Y29 PolarHBondContact O-N 3.02Å
26	R	54.5	Low	49.2	Very low	91 Å²	91	92.2 Å²	92.2	34%	0.343	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-36	176.5	-169.9	-172.7	-165.4	-158.7	10.1	112.5	Y22 E23 L24 R30	Y22-R26 WeakPolarHBondContact O-CB 3.33Å; Y22-R26 PolarHBondContact O-N 3.08Å; E23-R26 WeakPolarHBondContact OE1-CD 3.2Å; E23-R26 IonicContact OE1-CZ 3.17Å; E23-R26 IonicContact OE1-NE 3.36Å; E23-R26 IonicContact OE1-NH1 2.78Å; E23-R26 PolarHBondContact OE1-NH1 2.68Å; E23-R26 VanDerWaalsContact OE2-CD 3.3Å; E23-R26 WeakPolarHBondContact OE2-CD 3.45Å; E23-R26 IonicContact OE2-NH1 2.72Å; E23-R26 PolarHBondContact OE2-NH1 3.03Å; L24-R26 VanDerWaalsContact C-N 3.34Å; R26-R30 WeakPolarHBondContact O-CB 3.24Å; R26-R30 VanDerWaalsContact O-CG 3.25Å; R26-R30 WeakPolarHBondContact O-CG 3.26Å; R26-R30 PolarHBondContact O-N 3.34Å
27	Q	53.4	Low	48.2	Very low	108 Å²	108	91.3 Å²	91.3	51%	0.505	49%	0.49	S	S	.	.	H	α-helix	trans	-68.3	-44.8	172.6	-77.5	173.8	6	0	0	111.4	E23 L24 Y29 R30 L31	E23-Q27 WeakPolarHBondContact O-CB 3.48Å; E23-Q27 VanDerWaalsContact O-CG 3.23Å; E23-Q27 WeakPolarHBondContact O-CG 3.41Å; E23-Q27 PolarHBondContact O-N 2.96Å; L24-Q27 PolarHBondContact O-N 2.76Å; Q27-Y29 VanDerWaalsContact C-N 3.35Å; Q27-Y29 PolarHBondContact O-N 2.63Å; Q27-R30 PolarHBondContact O-N 3.15Å; Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 3.19Å
28	C	48.5	Very low	47.5	Very low	34 Å²	34	92.7 Å²	92.7	23%	0.23	51%	0.51	C	S	.	.	H	α-helix	trans	-65.6	-37.5	175.7	-163.3	0	0	0	0	111.8	L24 S25 L31 T32 C689	L24-C28 WeakPolarHBondContact O-CB 3.46Å; L24-C28 PolarHBondContact O-N 2.91Å; S25-C28 PolarHBondContact O-N 3.17Å; C28-L31 WeakPolarHBondContact O-CB 3.34Å; C28-L31 PolarHBondContact O-N 3.19Å; C28-T32 PolarHBondContact O-N 2.83Å; C28-T32 VanDerWaalsContact O-N 3.1Å; C28-T32 PolarHBondContact O-OG1 3.33Å; C28-C689 HydrophobicContact CB-CB 4.32Å; C28-C689 WeakPolarHBondContact CB-SG 3.48Å; C28-C689 WeakPolarHBondContact SG-CB 3.3Å; C28-C689 CovalentContact SG-SG 2.05Å; C28-C689 PolarHBondContact SG-SG 3.36Å
29	Y	46.8	Very low	47.4	Very low	125 Å²	125	93.7 Å²	93.7	49%	0.49	53%	0.525	S	S	.	.	H	α-helix	trans	-68.4	-37	173.6	-177.4	-107.6	0	0	0	113.1	S25 Q27 L31 T32 K33	S25-Y29 WeakPolarHBondContact O-CB 3.47Å; S25-Y29 PolarHBondContact O-N 3.02Å; Q27-Y29 VanDerWaalsContact C-N 3.35Å; Q27-Y29 PolarHBondContact O-N 2.63Å; Y29-L31 VanDerWaalsContact C-N 3.28Å; Y29-L31 PolarHBondContact O-N 3.32Å; Y29-T32 WeakPolarHBondContact CA-OG1 3.38Å; Y29-T32 PolarHBondContact O-N 3.37Å; Y29-T32 PolarHBondContact O-OG1 3.2Å; Y29-T32 VanDerWaalsContact O-OG1 3.09Å; Y29-K33 HydrophobicContact CE1-CD 3.69Å; Y29-K33 HydrophobicContact CE1-CG 4.5Å; Y29-K33 VanDerWaalsContact O-CB 3.27Å; Y29-K33 WeakPolarHBondContact O-CB 3.48Å; Y29-K33 PolarHBondContact O-N 3.33Å; Y29-K33 WeakPolarHBondContact OH-CD 3.45Å; Y29-K33 WeakPolarHBondContact OH-CE 3.13Å; Y29-K33 PolarHBondContact OH-NZ 3.05Å
30	R	45.7	Very low	48.2	Very low	147 Å²	147	94.9 Å²	94.9	56%	0.555	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-31.2	171.6	-80.3	175.7	178.8	177.4	1.8	112.3	R26 Q27	R26-R30 WeakPolarHBondContact O-CB 3.24Å; R26-R30 VanDerWaalsContact O-CG 3.25Å; R26-R30 WeakPolarHBondContact O-CG 3.26Å; R26-R30 PolarHBondContact O-N 3.34Å; Q27-R30 PolarHBondContact O-N 3.15Å
31	L	42.7	Very low	49.5	Very low	124 Å²	124	94.9 Å²	94.9	65%	0.649	53%	0.526	S	S	*	.	H	α-helix	trans	-72.2	-31.1	174.1	-71.6	167.2	0	0	0	112.4	Q27 C28 Y29	Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 3.19Å; C28-L31 WeakPolarHBondContact O-CB 3.34Å; C28-L31 PolarHBondContact O-N 3.19Å; Y29-L31 VanDerWaalsContact C-N 3.28Å; Y29-L31 PolarHBondContact O-N 3.32Å
32	T	43.3	Very low	50.8	Low	76 Å²	76	94.3 Å²	94.3	47%	0.466	53%	0.527	S	S	.	.	H	α-helix	trans	-86.1	-34.8	176.1	55.6	0	0	0	0	113.7	C28 Y29 K34	C28-T32 PolarHBondContact O-N 2.83Å; C28-T32 VanDerWaalsContact O-N 3.1Å; C28-T32 PolarHBondContact O-OG1 3.33Å; Y29-T32 WeakPolarHBondContact CA-OG1 3.38Å; Y29-T32 PolarHBondContact O-N 3.37Å; Y29-T32 PolarHBondContact O-OG1 3.2Å; Y29-T32 VanDerWaalsContact O-OG1 3.09Å; T32-K34 PolarHBondContact O-N 2.56Å; T32-K34 VanDerWaalsContact O-N 3.09Å
33	K	39	Very low	52.4	Low	133 Å²	133	91.3 Å²	91.3	58%	0.578	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	11.6	-175.2	-149.7	-169.6	-172.7	159.3	0	115.5	Y29 S35	Y29-K33 HydrophobicContact CE1-CD 3.69Å; Y29-K33 HydrophobicContact CE1-CG 4.5Å; Y29-K33 VanDerWaalsContact O-CB 3.27Å; Y29-K33 WeakPolarHBondContact O-CB 3.48Å; Y29-K33 PolarHBondContact O-N 3.33Å; Y29-K33 WeakPolarHBondContact OH-CD 3.45Å; Y29-K33 WeakPolarHBondContact OH-CE 3.13Å; Y29-K33 PolarHBondContact OH-NZ 3.05Å; K33-S35 PolarHBondContact O-N 3.43Å
34	K	36.5	Very low	54	Low	204 Å²	204	93.5 Å²	93.5	89%	0.887	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	7.4	172.9	-125.5	-173.8	-177.5	-169.9	0	113.8	T32	T32-K34 PolarHBondContact O-N 2.56Å; T32-K34 VanDerWaalsContact O-N 3.09Å
35	S	32.8	Very low	55.9	Low	109 Å²	109	91 Å²	91	76%	0.762	51%	0.511	S	S	*	.	S	Bend	trans	-139.9	112.4	171.7	-172.8	0	0	0	0	108.3	K33	K33-S35 PolarHBondContact O-N 3.43Å
36	G	29.6	Very low	57.7	Low	79 Å²	79	88.9 Å²	88.9	81%	0.814	50%	0.496	S	S	*	.			trans	158.6	68.1	-176	0	0	0	0	0	116
37	G	30	Very low	59.3	Low	65 Å²	65	86.5 Å²	86.5	67%	0.67	49%	0.488	S	S	*	.	S	Bend	trans	-149.9	132.2	162.4	0	0	0	0	0	108.6
38	G	41.1	Very low	60.9	Low	53 Å²	53	91.2 Å²	91.2	55%	0.546	50%	0.502	S	S	.	.	S	Bend	trans	59.4	105.8	-177.7	0	0	0	0	0	113.9	Q40	G38-Q40 WeakPolarHBondContact O-CG 3.39Å; G38-Q40 PolarHBondContact O-N 2.89Å
39	G	53.2	Low	62.8	Low	71 Å²	71	94.6 Å²	94.6	73%	0.732	51%	0.514	S	S	*	.			trans	-59.5	93.2	-170.2	0	0	0	0	0	114.9
40	Q	77.5	Confident	64.9	Low	96 Å²	96	92.7 Å²	92.7	45%	0.449	52%	0.515	S	S	.	.			trans	-68.6	130.3	176.1	-53.7	-169.1	-7.1	0	0	110.6	G38 I64 T130	G38-Q40 WeakPolarHBondContact O-CG 3.39Å; G38-Q40 PolarHBondContact O-N 2.89Å; Q40-I64 HydrophobicContact CB-CD1 4.15Å; Q40-I64 HydrophobicContact CG-CD1 3.53Å; Q40-T130 HydrophobicContact CB-CG2 3.87Å
41	L	82.2	Confident	67	Low	70 Å²	70	85.8 Å²	85.8	37%	0.366	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125	178.5	-64.4	166.6	0	0	0	108.9	T130 Y131	L41-T130 CarbonylContact O-C 3.57Å; L41-T130 WeakPolarHBondContact O-CA 3.4Å; L41-Y131 HydrophobicContact CB-CD1 4.11Å; L41-Y131 HydrophobicContact CB-CD2 4.42Å; L41-Y131 HydrophobicContact CB-CE1 3.74Å; L41-Y131 HydrophobicContact CB-CE2 4.09Å; L41-Y131 HydrophobicContact CB-CG 4.44Å; L41-Y131 HydrophobicContact CD1-CD2 4.37Å; L41-Y131 HydrophobicContact CD1-CE2 3.64Å; L41-Y131 PolarHBondContact N-O 3.18Å; L41-Y131 VanDerWaalsContact O-CD1 3.25Å; L41-Y131 WeakPolarHBondContact O-CD1 3.47Å; L41-Y131 PolarHBondContact O-N 3.07Å
42	T	88.1	Confident	69.4	Low	56 Å²	56	82 Å²	82	34%	0.344	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.1	174	-53.8	0	0	0	0	110.4	Y44 E128 T129 T130	T42-Y44 HydrophobicContact CG2-CE1 4.23Å; T42-Y44 HydrophobicContact CG2-CE2 4.05Å; T42-E128 HydrophobicContact CG2-CG 3.87Å; T42-T129 CarbonylContact C-O 3.59Å; T42-T129 VanDerWaalsContact CA-O 3.31Å; T42-T129 WeakPolarHBondContact CA-O 3.4Å; T42-T130 PolarHBondContact OG1-OG1 3.32Å
43	K	90.6	Very high	71.7	Confident	83 Å²	83	78.5 Å²	78.5	36%	0.361	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.9	172.8	-170.8	161.1	-173	162.4	0	111	M51 T52 I53 T129 Y131	K43-M51 HydrophobicContact CB-SD 4.38Å; K43-M51 HydrophobicContact CD-CG 4.14Å; K43-M51 HydrophobicContact CG-CG 4.13Å; K43-M51 HydrophobicContact CG-SD 4.35Å; K43-T52 VanDerWaalsContact CD-O 3.29Å; K43-T52 WeakPolarHBondContact CD-O 3.37Å; K43-T52 VanDerWaalsContact CE-O 3.32Å; K43-T52 WeakPolarHBondContact CE-O 3Å; K43-T52 PolarHBondContact NZ-O 3.1Å; K43-I53 HydrophobicContact CB-CG2 4.12Å; K43-I53 HydrophobicContact CD-CG2 3.85Å; K43-I53 HydrophobicContact CG-CG2 4.48Å; K43-T129 PolarHBondContact N-O 3.38Å; K43-T129 PolarHBondContact O-N 3.08Å; K43-Y131 HydrophobicContact CB-CE1 4.45Å
44	Y	92	Very high	74.2	Confident	110 Å²	110	75.2 Å²	75.2	43%	0.431	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.5	176.4	-54.7	-84.1	0	0	0	110.4	T42 V75 Y126 L127 E128	T42-Y44 HydrophobicContact CG2-CE1 4.23Å; T42-Y44 HydrophobicContact CG2-CE2 4.05Å; Y44-V75 HydrophobicContact CD1-CG1 3.96Å; Y44-V75 HydrophobicContact CG-CG1 4.22Å; Y44-Y126 HydrophobicContact CD1-CD2 4.06Å; Y44-Y126 HydrophobicContact CD1-CE2 4.05Å; Y44-Y126 HydrophobicContact CE1-CE2 4.23Å; Y44-L127 CarbonylContact C-O 3.47Å; Y44-L127 VanDerWaalsContact CA-O 3.25Å; Y44-L127 WeakPolarHBondContact CA-O 3.31Å; Y44-E128 HydrophobicContact CD1-CB 3.99Å; Y44-E128 HydrophobicContact CD1-CG 4.12Å; Y44-E128 HydrophobicContact CE1-CB 3.92Å; Y44-E128 HydrophobicContact CE1-CG 3.6Å
45	A	91.8	Very high	76.7	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.025	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.2	162.1	0	0	0	0	0	108.7	E49 M51 A111 Y126 L127	A45-E49 HydrophobicContact CB-CB 4.24Å; A45-M51 HydrophobicContact CB-CB 3.67Å; A45-M51 HydrophobicContact CB-CG 4.16Å; A45-A111 HydrophobicContact CB-CB 4.12Å; A45-Y126 CarbonylContact O-C 3.5Å; A45-Y126 WeakPolarHBondContact O-CA 3.39Å; A45-Y126 WeakPolarHBondContact O-CB 3.41Å; A45-L127 PolarHBondContact N-O 3.36Å; A45-L127 PolarHBondContact O-N 2.82Å
46	C	91.5	Very high	79	Confident	30 Å²	30	64.9 Å²	64.9	20%	0.203	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	160.2	178.5	-55.5	0	0	0	0	111.1	R48 E49 C76 A111	C46-R48 PolarHBondContact O-N 3.13Å; C46-E49 HydrophobicContact CB-CG 3.98Å; C46-E49 WeakPolarHBondContact CB-OE2 3.3Å; C46-E49 PolarHBondContact N-OE2 2.8Å; C46-E49 VanDerWaalsContact O-CB 3.29Å; C46-E49 WeakPolarHBondContact O-CB 3.3Å; C46-E49 PolarHBondContact O-N 3.3Å; C46-C76 WeakPolarHBondContact CA-SG 3.39Å; C46-C76 HydrophobicContact CB-CB 3.76Å; C46-C76 WeakPolarHBondContact CB-SG 3.42Å; C46-C76 WeakPolarHBondContact SG-CB 3.34Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 3.48Å; C46-A111 WeakPolarHBondContact O-CB 3.18Å
47	E	88.1	Confident	81.4	Confident	41 Å²	41	66.9 Å²	66.9	19%	0.192	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	129.8	174.4	176.5	170.3	168.8	0	0	111.3	E49 K125	E47-E49 VanDerWaalsContact C-N 3.33Å; E47-K125 VanDerWaalsContact CB-O 3.27Å; E47-K125 WeakPolarHBondContact CB-O 3.38Å; E47-K125 PolarHBondContact N-O 3.09Å; E47-K125 VanDerWaalsContact N-O 3.16Å; E47-K125 PolarHBondContact OE2-N 3.35Å
48	R	87	Confident	83.6	Confident	207 Å²	207	71.5 Å²	71.5	78%	0.781	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	-1.1	-171	-53.1	165.9	-167.9	-173.7	2	116.4	C46 A111	C46-R48 PolarHBondContact O-N 3.13Å; R48-A111 PolarHBondContact N-O 2.9Å
49	E	89.6	Confident	85.7	Confident	104 Å²	104	71.4 Å²	71.4	49%	0.486	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-83.1	163.7	171.8	-63	-167.6	132.8	0	0	113.3	A45 C46 E47 A111	A45-E49 HydrophobicContact CB-CB 4.24Å; C46-E49 HydrophobicContact CB-CG 3.98Å; C46-E49 WeakPolarHBondContact CB-OE2 3.3Å; C46-E49 PolarHBondContact N-OE2 2.8Å; C46-E49 VanDerWaalsContact O-CB 3.29Å; C46-E49 WeakPolarHBondContact O-CB 3.3Å; C46-E49 PolarHBondContact O-N 3.3Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E49-A111 PolarHBondContact O-N 3.44Å
50	V	90.3	Very high	87.6	Confident	86 Å²	86	68.8 Å²	68.8	52%	0.521	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.7	175.4	179.2	0	0	0	0	110	V108 T110	V50-V108 HydrophobicContact CG1-CG1 3.34Å; V50-T110 HydrophobicContact CG2-CG2 4.37Å
51	M	91.1	Very high	88.3	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.1	172.4	-166.1	178.4	64.1	0	0	110.6	K43 A45 I53 M97 V108 V109 L127 T129	K43-M51 HydrophobicContact CB-SD 4.38Å; K43-M51 HydrophobicContact CD-CG 4.14Å; K43-M51 HydrophobicContact CG-CG 4.13Å; K43-M51 HydrophobicContact CG-SD 4.35Å; A45-M51 HydrophobicContact CB-CB 3.67Å; A45-M51 HydrophobicContact CB-CG 4.16Å; M51-I53 HydrophobicContact CG-CG2 4.47Å; M51-M97 HydrophobicContact CE-CE 3.33Å; M51-M97 HydrophobicContact CE-SD 3.91Å; M51-V108 CarbonylContact O-C 3.58Å; M51-V108 WeakPolarHBondContact O-CA 3.3Å; M51-V109 WeakPolarHBondContact CA-O 3.46Å; M51-V109 WeakPolarHBondContact CB-O 3.21Å; M51-V109 PolarHBondContact N-O 3.24Å; M51-V109 PolarHBondContact O-N 3.29Å; M51-L127 HydrophobicContact CB-CD2 4.31Å; M51-L127 HydrophobicContact CE-CD2 3.44Å; M51-L127 VanDerWaalsContact CE-CD2 3.44Å; M51-L127 HydrophobicContact CE-CG 4.16Å; M51-L127 HydrophobicContact SD-CD2 3.81Å; M51-L127 HydrophobicContact SD-CG 4.09Å; M51-T129 HydrophobicContact CE-CG2 4.34Å; M51-T129 WeakPolarHBondContact CE-OG1 3.46Å
52	T	91.8	Very high	88.8	Confident	45 Å²	45	66.3 Å²	66.3	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.1	174.4	-55.7	0	0	0	0	109.9	K43 Y106 C107 V108	K43-T52 VanDerWaalsContact CD-O 3.29Å; K43-T52 WeakPolarHBondContact CD-O 3.37Å; K43-T52 VanDerWaalsContact CE-O 3.32Å; K43-T52 WeakPolarHBondContact CE-O 3Å; K43-T52 PolarHBondContact NZ-O 3.1Å; T52-Y106 HydrophobicContact CG2-CD2 4.17Å; T52-Y106 HydrophobicContact CG2-CE2 3.32Å; T52-C107 WeakPolarHBondContact CA-O 3.42Å; T52-V108 HydrophobicContact CG2-CG2 4.2Å
53	I	91.4	Very high	89.1	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.6	175.4	54	172	0	0	0	110.4	K43 M51 I61 I63 M97 C101 Y106 C107 Y131	K43-I53 HydrophobicContact CB-CG2 4.12Å; K43-I53 HydrophobicContact CD-CG2 3.85Å; K43-I53 HydrophobicContact CG-CG2 4.48Å; M51-I53 HydrophobicContact CG-CG2 4.47Å; I53-I61 HydrophobicContact CB-CD1 4.48Å; I53-I61 HydrophobicContact CD1-CD1 4.09Å; I53-I61 HydrophobicContact CD1-CG2 3.96Å; I53-I61 HydrophobicContact CG1-CD1 3.91Å; I53-I63 HydrophobicContact CD1-CD1 3.84Å; I53-M97 HydrophobicContact CD1-CE 4.14Å; I53-C101 HydrophobicContact CD1-CB 4.02Å; I53-Y106 WeakPolarHBondContact O-CA 3.48Å; I53-C107 HydrophobicContact CD1-CB 4.32Å; I53-C107 HydrophobicContact CG1-CB 3.84Å; I53-C107 PolarHBondContact N-O 2.66Å; I53-C107 PolarHBondContact O-N 2.7Å; I53-Y131 HydrophobicContact CB-CE1 4.05Å; I53-Y131 HydrophobicContact CB-CE2 4.5Å; I53-Y131 HydrophobicContact CG2-CD1 4.07Å; I53-Y131 HydrophobicContact CG2-CE1 3.55Å
54	S	91.6	Very high	89.1	Confident	65 Å²	65	63 Å²	63	46%	0.455	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146.1	-174	60.3	0	0	0	0	111.4	P105	S54-P105 WeakPolarHBondContact CA-O 3.45Å
55	C	89.2	Confident	89.1	Confident	19 Å²	19	62.9 Å²	62.9	13%	0.128	31%	0.314	C	S	.	.			trans	-107.9	160.2	173.7	-73.4	0	0	0	0	112.3	H59 I61 P105 C133	C55-H59 HydrophobicContact CB-CB 3.94Å; C55-I61 HydrophobicContact CB-CG1 4.48Å; C55-I61 VanDerWaalsContact SG-CG1 3.56Å; C55-P105 PolarHBondContact N-O 2.84Å; C55-C133 WeakPolarHBondContact CA-SG 3.06Å; C55-C133 HydrophobicContact CB-CB 3.78Å; C55-C133 WeakPolarHBondContact CB-SG 3.26Å; C55-C133 WeakPolarHBondContact SG-CA 3.47Å; C55-C133 WeakPolarHBondContact SG-CB 3.34Å; C55-C133 CovalentContact SG-SG 2.04Å; C55-C133 PolarHBondContact SG-SG 3Å
56	P	82.4	Confident	89.1	Confident	77 Å²	77	63 Å²	63	50%	0.5	32%	0.315	S	S	.	.			trans	-60.7	162.7	171.6	-21.3	33.8	0	0	0	112.5	H59	P56-H59 PolarHBondContact O-N 2.88Å; P56-H59 VanDerWaalsContact O-N 3.13Å
57	P	78.3	Confident	89.2	Confident	120 Å²	120	62.1 Å²	62.1	78%	0.779	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	143.7	172.4	-25.4	34.7	0	0	0	112.4	H59	P57-H59 PolarHBondContact O-N 3.46Å
58	K	77.5	Confident	89.5	Confident	163 Å²	163	60.2 Å²	60.2	71%	0.709	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	-7.2	-172.7	-50.6	-177.2	177.6	-175.2	0	116.8	Q136	K58-Q136 WeakPolarHBondContact O-CG 3.29Å; K58-Q136 PolarHBondContact O-N 3.34Å; K58-Q136 VanDerWaalsContact O-N 3.1Å
59	H	85.5	Confident	89.6	Confident	51 Å²	51	50.4 Å²	50.4	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151.2	177.4	-64.5	47.3	0	0	0	112	C55 P56 P57 C133 V134 D135	C55-H59 HydrophobicContact CB-CB 3.94Å; P56-H59 PolarHBondContact O-N 2.88Å; P56-H59 VanDerWaalsContact O-N 3.13Å; P57-H59 PolarHBondContact O-N 3.46Å; H59-C133 HydrophobicContact CB-CB 3.97Å; H59-C133 PolarHBondContact CD2-O 2.84Å; H59-V134 CarbonylContact C-O 3.6Å; H59-V134 WeakPolarHBondContact CA-O 3.39Å; H59-V134 WeakPolarHBondContact CB-O 3.37Å; H59-D135 IonicContact CE1-OD1 3.57Å; H59-D135 PolarHBondContact CE1-OD1 3.4Å; H59-D135 IonicContact ND1-OD1 3.59Å; H59-D135 PolarHBondContact ND1-OD1 3.11Å; H59-D135 IonicContact NE2-OD1 3.15Å
60	V	91.1	Very high	89.6	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.2	170	-69.8	0	0	0	0	111.3	C133 V134 Q136	V60-C133 WeakPolarHBondContact O-CA 3.46Å; V60-V134 HydrophobicContact CG2-CG2 3.73Å; V60-V134 PolarHBondContact N-O 3.17Å; V60-V134 PolarHBondContact O-N 2.97Å; V60-Q136 HydrophobicContact CG1-CG 3.68Å; V60-Q136 HydrophobicContact CG2-CG 4.43Å
61	I	92.2	Very high	89.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.1	176.9	-63.4	160.1	0	0	0	109	I53 C55 I63 S103 R104 C107 Y131	I53-I61 HydrophobicContact CB-CD1 4.48Å; I53-I61 HydrophobicContact CD1-CD1 4.09Å; I53-I61 HydrophobicContact CD1-CG2 3.96Å; I53-I61 HydrophobicContact CG1-CD1 3.91Å; C55-I61 HydrophobicContact CB-CG1 4.48Å; C55-I61 VanDerWaalsContact SG-CG1 3.56Å; I61-I63 HydrophobicContact CG2-CD1 3.6Å; I61-I63 HydrophobicContact CG2-CG1 4.19Å; I61-S103 PolarHBondContact O-N 3.44Å; I61-R104 WeakPolarHBondContact CB-O 3.5Å; I61-R104 WeakPolarHBondContact CD1-O 3.46Å; I61-R104 WeakPolarHBondContact CG1-O 3.33Å; I61-R104 PolarHBondContact N-O 3.43Å; I61-C107 HydrophobicContact CD1-CB 4.11Å; I61-Y131 HydrophobicContact CG2-CD2 4.08Å; I61-Y131 HydrophobicContact CG2-CG 4.37Å
62	R	94.1	Very high	89	Confident	113 Å²	113	47 Å²	47	43%	0.426	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.8	162.4	-177.3	168.6	80.3	-172.6	5.2	109.3	D102 Y131 E132 V134	R62-D102 VanDerWaalsContact CA-OD1 3.29Å; R62-D102 WeakPolarHBondContact CA-OD1 3.48Å; R62-Y131 CarbonylContact O-C 3.04Å; R62-Y131 VanDerWaalsContact O-CA 3.25Å; R62-Y131 WeakPolarHBondContact O-CA 3.35Å; R62-Y131 WeakPolarHBondContact O-CB 3.33Å; R62-E132 HydrophobicContact CB-CG 3.82Å; R62-E132 HydrophobicContact CG-CG 4.4Å; R62-E132 VanDerWaalsContact CZ-CD 3.49Å; R62-E132 IonicContact CZ-OE1 3.26Å; R62-E132 IonicContact CZ-OE2 2.84Å; R62-E132 PolarHBondContact N-O 3.37Å; R62-E132 VanDerWaalsContact NE-CD 3.26Å; R62-E132 IonicContact NE-OE1 2.83Å; R62-E132 IonicContact NE-OE2 3.57Å; R62-E132 PolarHBondContact NE-OE2 3.13Å; R62-E132 VanDerWaalsContact NE-OE2 3.15Å; R62-E132 IonicContact NH2-OE1 3.14Å; R62-E132 PolarHBondContact NH2-OE1 3.11Å; R62-E132 IonicContact NH2-OE2 2.82Å; R62-E132 PolarHBondContact NH2-OE2 2.88Å; R62-E132 PolarHBondContact O-N 2.92Å; R62-V134 HydrophobicContact CB-CG1 4.19Å; R62-V134 HydrophobicContact CB-CG2 4.32Å
63	I	93.4	Very high	88.5	Confident	13 Å²	13	47.2 Å²	47.2	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.4	179.8	-59.1	-62.1	0	0	0	109.7	I53 I61 M97 I98 C101 D102 T129	I53-I63 HydrophobicContact CD1-CD1 3.84Å; I61-I63 HydrophobicContact CG2-CD1 3.6Å; I61-I63 HydrophobicContact CG2-CG1 4.19Å; I63-M97 HydrophobicContact CD1-CE 4.37Å; I63-M97 HydrophobicContact CG1-CB 4.5Å; I63-M97 HydrophobicContact CG2-CB 3.98Å; I63-I98 HydrophobicContact CB-CG1 3.8Å; I63-I98 HydrophobicContact CG2-CG1 3.84Å; I63-C101 HydrophobicContact CD1-CB 3.98Å; I63-C101 HydrophobicContact CG1-CB 4.17Å; I63-D102 PolarHBondContact N-OD1 3.06Å; I63-T129 HydrophobicContact CD1-CG2 4.03Å
64	I	90.7	Very high	87.9	Confident	57 Å²	57	55.1 Å²	55.1	29%	0.292	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-47.4	-177.9	-58.1	176.4	0	0	0	110.7	Q40 T130 E132	Q40-I64 HydrophobicContact CB-CD1 4.15Å; Q40-I64 HydrophobicContact CG-CD1 3.53Å; I64-T130 HydrophobicContact CB-CG2 4.43Å; I64-T130 HydrophobicContact CD1-CG2 4.46Å; I64-T130 PolarHBondContact N-O 2.95Å; I64-E132 HydrophobicContact CD1-CB 4.06Å; I64-E132 HydrophobicContact CD1-CG 4.01Å; I64-E132 WeakPolarHBondContact CD1-OE2 3.37Å; I64-E132 HydrophobicContact CG1-CG 4.34Å
65	R	92.6	Very high	87.5	Confident	106 Å²	106	53.7 Å²	53.7	40%	0.4	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	149.4	174.2	58.5	175.8	-171.3	102.2	18.8	110.3	E128 T130	R65-E128 IonicContact CZ-OE1 3.34Å; R65-E128 IonicContact NH1-OE1 3.51Å; R65-E128 PolarHBondContact NH1-OE1 2.95Å; R65-E128 IonicContact NH2-OE1 2.77Å; R65-E128 PolarHBondContact NH2-OE1 3.46Å; R65-T130 PolarHBondContact N-O 2.8Å; R65-T130 PolarHBondContact NE-OG1 3.18Å; R65-T130 PolarHBondContact NH2-OG1 3.39Å; R65-T130 PolarHBondContact O-N 3.32Å
66	A	92.1	Very high	87.3	Confident	5 Å²	5	53.9 Å²	53.9	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.9	166.8	0	0	0	0	0	111.9	S93 T94 M97 L127 E128 T129	A66-S93 WeakPolarHBondContact O-CB 3.32Å; A66-T94 PolarHBondContact N-OG1 2.94Å; A66-T94 PolarHBondContact O-N 3.25Å; A66-T94 PolarHBondContact O-OG1 2.86Å; A66-M97 HydrophobicContact CB-CB 3.79Å; A66-M97 HydrophobicContact CB-CG 3.41Å; A66-M97 VanDerWaalsContact CB-CG 3.41Å; A66-L127 HydrophobicContact CB-CD1 4.5Å; A66-E128 CarbonylContact C-O 3.51Å; A66-E128 WeakPolarHBondContact CA-O 3.41Å; A66-T129 HydrophobicContact CB-CG2 4.33Å; A66-T129 WeakPolarHBondContact CB-OG1 3.23Å
67	N	93.3	Very high	87.3	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.064	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.6	178.6	-177.1	62.6	0	0	0	110.4	F71 M89 D90 E128	N67-F71 HydrophobicContact CB-CE2 3.95Å; N67-F71 WeakPolarHBondContact ND2-CE2 3.04Å; N67-F71 WeakPolarHBondContact ND2-CZ 3.44Å; N67-M89 WeakPolarHBondContact OD1-CA 3.38Å; N67-M89 VanDerWaalsContact OD1-CB 3.27Å; N67-M89 WeakPolarHBondContact OD1-CB 3.3Å; N67-D90 PolarHBondContact OD1-N 2.82Å; N67-E128 PolarHBondContact N-O 3.37Å; N67-E128 PolarHBondContact O-N 3.37Å
68	Y	93.5	Very high	87.2	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	101.6	166.1	-175.2	-117	0	0	0	108.6	S93 A111 S112 D113 F116 K125 Y126 L127	Y68-S93 WeakPolarHBondContact CB-OG 3.45Å; Y68-S93 PolarHBondContact N-OG 2.94Å; Y68-A111 HydrophobicContact CD2-CB 4.49Å; Y68-A111 HydrophobicContact CE2-CB 4.08Å; Y68-S112 WeakPolarHBondContact OH-CA 3.43Å; Y68-D113 WeakPolarHBondContact CE1-OD1 3.48Å; Y68-D113 VanDerWaalsContact CZ-OD1 3.29Å; Y68-D113 PolarHBondContact OH-N 3.37Å; Y68-D113 PolarHBondContact OH-OD1 2.95Å; Y68-F116 HydrophobicContact CD1-CB 3.32Å; Y68-F116 HydrophobicContact CD1-CD2 4.03Å; Y68-F116 AromaticContact CD1-CG 3.87Å; Y68-F116 HydrophobicContact CD1-CG 3.87Å; Y68-F116 AromaticContact CD2-CD2 3.88Å; Y68-F116 HydrophobicContact CD2-CD2 3.88Å; Y68-F116 HydrophobicContact CD2-CE2 4.41Å; Y68-F116 HydrophobicContact CD2-CG 4.39Å; Y68-F116 HydrophobicContact CE1-CB 3.9Å; Y68-F116 HydrophobicContact CE1-CD2 4.41Å; Y68-F116 HydrophobicContact CE2-CD2 4.33Å; Y68-F116 HydrophobicContact CG-CB 3.76Å; Y68-F116 AromaticContact CG-CD2 3.71Å; Y68-F116 HydrophobicContact CG-CD2 3.71Å; Y68-F116 AromaticContact CG-CG 3.75Å; Y68-F116 HydrophobicContact CG-CG 3.75Å; Y68-K125 HydrophobicContact CD1-CD 3.95Å; Y68-K125 HydrophobicContact CD2-CB 4.31Å; Y68-K125 HydrophobicContact CE1-CB 4.24Å; Y68-K125 HydrophobicContact CE1-CD 3.59Å; Y68-K125 HydrophobicContact CE1-CG 4.5Å; Y68-K125 HydrophobicContact CE2-CB 3.94Å; Y68-Y126 WeakPolarHBondContact CA-O 3.49Å; Y68-L127 HydrophobicContact CD2-CB 4.1Å
69	G	90.8	Very high	86.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-150.4	-169.4	0	0	0	0	0	112.2	C88 Y126	G69-C88 WeakPolarHBondContact CA-O 3.43Å; G69-Y126 PolarHBondContact N-O 2.89Å; G69-Y126 PolarHBondContact O-N 3.3Å
70	R	89.5	Confident	86.1	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-147	115.4	177.3	-178.5	168.1	-69.7	-83.5	6.2	111.9	S72 V75 C76 T86 Q87 C88 T123 V124 Y126	R70-S72 WeakPolarHBondContact CG-O 3.26Å; R70-S72 PolarHBondContact NH1-O 3.25Å; R70-V75 PolarHBondContact NH1-O 2.93Å; R70-C76 PolarHBondContact NH2-O 3.22Å; R70-T86 CarbonylContact O-C 3.59Å; R70-T86 WeakPolarHBondContact O-CA 3.21Å; R70-Q87 PolarHBondContact O-N 2.97Å; R70-C88 PolarHBondContact N-O 3.32Å; R70-C88 PolarHBondContact O-N 2.73Å; R70-C88 VanDerWaalsContact O-N 3.12Å; R70-T123 HydrophobicContact CB-CG2 3.88Å; R70-T123 HydrophobicContact CG-CG2 4.49Å; R70-V124 VanDerWaalsContact CZ-O 3.24Å; R70-V124 PolarHBondContact NE-O 3.27Å; R70-V124 PolarHBondContact NH2-O 2.88Å; R70-Y126 HydrophobicContact CB-CE1 4.31Å; R70-Y126 HydrophobicContact CG-CE1 4.07Å
71	F	86.2	Confident	85.3	Confident	87 Å²	87	53 Å²	53	38%	0.382	28%	0.275	S	S	.	.			trans	-111	-14	171.7	-62.7	-48	0	0	0	113.8	N67 T86 M89 Y126	N67-F71 HydrophobicContact CB-CE2 3.95Å; N67-F71 WeakPolarHBondContact ND2-CE2 3.04Å; N67-F71 WeakPolarHBondContact ND2-CZ 3.44Å; F71-T86 WeakPolarHBondContact CA-O 3.48Å; F71-M89 HydrophobicContact CE1-CB 3.89Å; F71-M89 HydrophobicContact CZ-CB 3.64Å; F71-Y126 PolarHBondContact N-OH 2.95Å
72	S	82.4	Confident	84.4	Confident	33 Å²	33	59.2 Å²	59.2	23%	0.231	31%	0.309	C	S	.	.			trans	-126.7	141.2	-176	-177.5	0	0	0	0	112	R70 H74 Y126	R70-S72 WeakPolarHBondContact CG-O 3.26Å; R70-S72 PolarHBondContact NH1-O 3.25Å; S72-H74 VanDerWaalsContact C-N 3.27Å; S72-H74 PolarHBondContact OG-N 2.7Å; S72-Y126 PolarHBondContact N-OH 3.09Å
73	L	81.1	Confident	83.3	Confident	51 Å²	51	55.4 Å²	55.4	27%	0.267	29%	0.294	S	S	.	.	S	Bend	trans	-79.3	-9.6	168.8	-147.8	86.9	0	0	0	112.5	N77 W83 T86	L73-N77 VanDerWaalsContact O-CB 3.31Å; L73-N77 WeakPolarHBondContact O-CB 3.31Å; L73-N77 PolarHBondContact O-ND2 2.85Å; L73-W83 HydrophobicContact CD1-CE3 4.34Å; L73-T86 HydrophobicContact CD1-CG2 3.65Å
74	H	78.7	Confident	81.9	Confident	167 Å²	167	61 Å²	61	77%	0.773	33%	0.334	S	S	*	.	S	Bend	trans	-109.8	-16.7	-172.1	-60	-48.8	0	0	0	114.1	S72	S72-H74 VanDerWaalsContact C-N 3.27Å; S72-H74 PolarHBondContact OG-N 2.7Å
75	V	82.4	Confident	81	Confident	34 Å²	34	61 Å²	61	21%	0.206	34%	0.335	C	S	.	.	S	Bend	trans	-89.1	129.2	175.6	179.5	0	0	0	0	108.4	Y44 R70 Y126	Y44-V75 HydrophobicContact CD1-CG1 3.96Å; Y44-V75 HydrophobicContact CG-CG1 4.22Å; R70-V75 PolarHBondContact NH1-O 2.93Å; V75-Y126 HydrophobicContact CB-CD1 4.14Å; V75-Y126 HydrophobicContact CB-CE1 3.81Å; V75-Y126 HydrophobicContact CB-CE2 4.45Å; V75-Y126 HydrophobicContact CG1-CD1 3.87Å; V75-Y126 HydrophobicContact CG1-CD2 3.94Å; V75-Y126 HydrophobicContact CG1-CE1 3.96Å; V75-Y126 HydrophobicContact CG1-CE2 4.05Å; V75-Y126 HydrophobicContact CG1-CG 3.87Å
76	C	85.4	Confident	80.4	Confident	23 Å²	23	58.3 Å²	58.3	16%	0.155	33%	0.331	C	S	.	.	S	Bend	trans	50.8	61.7	-176.9	-55.3	0	0	0	0	111.6	C46 R70 W83 Y126	C46-C76 WeakPolarHBondContact CA-SG 3.39Å; C46-C76 HydrophobicContact CB-CB 3.76Å; C46-C76 WeakPolarHBondContact CB-SG 3.42Å; C46-C76 WeakPolarHBondContact SG-CB 3.34Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 3.48Å; R70-C76 PolarHBondContact NH2-O 3.22Å; C76-W83 WeakPolarHBondContact O-CH2 3.49Å; C76-Y126 HydrophobicContact CB-CD1 4.44Å
77	N	83.1	Confident	79.9	Confident	27 Å²	27	65.9 Å²	65.9	14%	0.144	37%	0.365	C	S	.	.			trans	-146.3	56	180	-166.1	11.1	0	0	0	112.5	L73 D79 G80 I81 W83	L73-N77 VanDerWaalsContact O-CB 3.31Å; L73-N77 WeakPolarHBondContact O-CB 3.31Å; L73-N77 PolarHBondContact O-ND2 2.85Å; N77-D79 PolarHBondContact O-N 2.88Å; N77-G80 PolarHBondContact O-N 3.32Å; N77-G80 WeakPolarHBondContact OD1-CA 3.26Å; N77-G80 PolarHBondContact OD1-N 3.3Å; N77-I81 PolarHBondContact ND2-O 3.27Å; N77-I81 PolarHBondContact OD1-N 3.32Å; N77-W83 HydrophobicContact CB-CH2 3.62Å; N77-W83 HydrophobicContact CB-CZ3 3.57Å; N77-W83 WeakPolarHBondContact ND2-CZ3 3.32Å; N77-W83 WeakPolarHBondContact OD1-CH2 3.34Å; N77-W83 WeakPolarHBondContact OD1-CZ3 3.25Å
78	D	75.2	Confident	79.5	Confident	145 Å²	145	66 Å²	66	78%	0.775	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.7	-178.3	-55.6	-58.1	0	0	0	112.3
79	D	72.3	Confident	79.2	Confident	100 Å²	100	71.1 Å²	71.1	54%	0.535	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.2	178	-58.9	-50.6	0	0	0	114.4	N77 I81	N77-D79 PolarHBondContact O-N 2.88Å; D79-I81 VanDerWaalsContact C-N 3.31Å; D79-I81 HydrophobicContact CB-CD1 3.93Å; D79-I81 HydrophobicContact CB-CG1 3.9Å; D79-I81 PolarHBondContact O-N 3.47Å
80	G	69.1	Low	78.9	Confident	59 Å²	59	71.2 Å²	71.2	61%	0.608	39%	0.392	S	S	*	.			trans	68.3	24.5	-179.1	0	0	0	0	0	115.1	N77	N77-G80 PolarHBondContact O-N 3.32Å; N77-G80 WeakPolarHBondContact OD1-CA 3.26Å; N77-G80 PolarHBondContact OD1-N 3.3Å
81	I	72.9	Confident	78.5	Confident	78 Å²	78	75 Å²	75	40%	0.4	42%	0.417	S	S	.	.			trans	-66.7	138	179.7	-64	169	0	0	0	110.1	N77 D79 W83	N77-I81 PolarHBondContact ND2-O 3.27Å; N77-I81 PolarHBondContact OD1-N 3.32Å; D79-I81 VanDerWaalsContact C-N 3.31Å; D79-I81 HydrophobicContact CB-CD1 3.93Å; D79-I81 HydrophobicContact CB-CG1 3.9Å; D79-I81 PolarHBondContact O-N 3.47Å; I81-W83 HydrophobicContact CB-CD2 4.47Å; I81-W83 HydrophobicContact CB-CH2 4.29Å; I81-W83 HydrophobicContact CB-CZ2 3.96Å; I81-W83 HydrophobicContact CD1-CZ2 4.45Å; I81-W83 HydrophobicContact CG2-CD2 4.06Å; I81-W83 HydrophobicContact CG2-CG 4.27Å; I81-W83 HydrophobicContact CG2-CZ2 4.16Å
82	N	73.6	Confident	78.5	Confident	132 Å²	132	72.1 Å²	72.1	71%	0.706	41%	0.409	S	S	*	.			trans	-100.6	82.4	178.6	-170	30	0	0	0	110.5
83	W	70.8	Confident	79	Confident	33 Å²	33	70.5 Å²	70.5	13%	0.125	40%	0.398	C	S	.	.			trans	-65.6	136.9	177.4	-59.2	-82.2	0	0	0	111.7	L73 C76 N77 I81 N85 V124	L73-W83 HydrophobicContact CD1-CE3 4.34Å; C76-W83 WeakPolarHBondContact O-CH2 3.49Å; N77-W83 HydrophobicContact CB-CH2 3.62Å; N77-W83 HydrophobicContact CB-CZ3 3.57Å; N77-W83 WeakPolarHBondContact ND2-CZ3 3.32Å; N77-W83 WeakPolarHBondContact OD1-CH2 3.34Å; N77-W83 WeakPolarHBondContact OD1-CZ3 3.25Å; I81-W83 HydrophobicContact CB-CD2 4.47Å; I81-W83 HydrophobicContact CB-CH2 4.29Å; I81-W83 HydrophobicContact CB-CZ2 3.96Å; I81-W83 HydrophobicContact CD1-CZ2 4.45Å; I81-W83 HydrophobicContact CG2-CD2 4.06Å; I81-W83 HydrophobicContact CG2-CG 4.27Å; I81-W83 HydrophobicContact CG2-CZ2 4.16Å; W83-N85 VanDerWaalsContact C-N 3.28Å; W83-N85 PolarHBondContact O-N 2.7Å; W83-V124 HydrophobicContact CZ2-CB 4Å; W83-V124 HydrophobicContact CZ2-CG2 4.22Å
84	S	65.4	Low	79.5	Confident	129 Å²	129	70 Å²	70	90%	0.902	40%	0.397	S	S	*	.	S	Bend	trans	-67.5	-26.8	176.2	50.5	0	0	0	0	113.3
85	N	71	Confident	80.1	Confident	57 Å²	57	68.8 Å²	68.8	31%	0.305	39%	0.391	S	S	.	.			trans	-111.9	90.2	-176.5	-169.1	-1.2	0	0	0	112.1	W83 Q87 C88	W83-N85 VanDerWaalsContact C-N 3.28Å; W83-N85 PolarHBondContact O-N 2.7Å; N85-Q87 PolarHBondContact OD1-N 2.92Å; N85-Q87 VanDerWaalsContact OD1-N 3.1Å; N85-C88 PolarHBondContact OD1-N 3.31Å
86	T	79.9	Confident	80.6	Confident	51 Å²	51	68.7 Å²	68.7	31%	0.313	39%	0.391	S	S	.	.	S	Bend	trans	-100.5	28.7	168.2	67.3	0	0	0	0	112.1	R70 F71 L73	R70-T86 CarbonylContact O-C 3.59Å; R70-T86 WeakPolarHBondContact O-CA 3.21Å; F71-T86 WeakPolarHBondContact CA-O 3.48Å; L73-T86 HydrophobicContact CD1-CG2 3.65Å
87	Q	81.9	Confident	81	Confident	164 Å²	164	67.6 Å²	67.6	77%	0.766	38%	0.383	S	S	*	.			trans	-130.1	22.6	178.3	-64.7	-171.3	-16.3	0	0	111.6	R70 N85	R70-Q87 PolarHBondContact O-N 2.97Å; N85-Q87 PolarHBondContact OD1-N 2.92Å; N85-Q87 VanDerWaalsContact OD1-N 3.1Å
88	C	85.4	Confident	81.5	Confident	14 Å²	14	69.9 Å²	69.9	10%	0.095	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-90.8	128.1	-173.3	-152.8	0	0	0	0	112.4	G69 R70 N85 C120	G69-C88 WeakPolarHBondContact CA-O 3.43Å; R70-C88 PolarHBondContact N-O 3.32Å; R70-C88 PolarHBondContact O-N 2.73Å; R70-C88 VanDerWaalsContact O-N 3.12Å; N85-C88 PolarHBondContact OD1-N 3.31Å; C88-C120 VanDerWaalsContact C-SG 3.55Å; C88-C120 HydrophobicContact CB-CB 3.98Å; C88-C120 WeakPolarHBondContact CB-SG 3.42Å; C88-C120 WeakPolarHBondContact SG-CA 3.25Å; C88-C120 WeakPolarHBondContact SG-CB 3.35Å; C88-C120 CovalentContact SG-SG 2.03Å; C88-C120 PolarHBondContact SG-SG 2.99Å
89	M	85.9	Confident	82.3	Confident	109 Å²	109	67.1 Å²	67.1	54%	0.537	39%	0.387	S	S	.	.			trans	-139.2	144.9	-174.4	63.9	-179.4	-108.8	0	0	113.4	N67 F71 P91	N67-M89 WeakPolarHBondContact OD1-CA 3.38Å; N67-M89 VanDerWaalsContact OD1-CB 3.27Å; N67-M89 WeakPolarHBondContact OD1-CB 3.3Å; F71-M89 HydrophobicContact CE1-CB 3.89Å; F71-M89 HydrophobicContact CZ-CB 3.64Å; M89-P91 HydrophobicContact CE-CG 3.91Å
90	D	86	Confident	83.2	Confident	2 Å²	2	67 Å²	67	1%	0.011	38%	0.379	C	S	.	.			trans	-115.1	106	169	169.4	42.1	0	0	0	110.5	N67 A92 S93 R119	N67-D90 PolarHBondContact OD1-N 2.82Å; D90-A92 PolarHBondContact O-N 3.26Å; D90-A92 PolarHBondContact OD1-N 3.12Å; D90-S93 VanDerWaalsContact O-CB 3.3Å; D90-S93 WeakPolarHBondContact O-CB 3.42Å; D90-S93 PolarHBondContact O-N 3.49Å; D90-S93 PolarHBondContact O-OG 3.07Å; D90-S93 PolarHBondContact OD2-N 3.2Å; D90-S93 PolarHBondContact OD2-OG 2.95Å; D90-R119 IonicContact OD1-CZ 2.68Å; D90-R119 IonicContact OD1-NE 3.1Å; D90-R119 PolarHBondContact OD1-NE 3.18Å; D90-R119 IonicContact OD1-NH2 2.78Å; D90-R119 PolarHBondContact OD1-NH2 2.83Å
91	P	79.1	Confident	84.4	Confident	80 Å²	80	64.2 Å²	64.2	52%	0.519	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.3	177.9	-25.2	33.5	0	0	0	114.7	M89 S93	M89-P91 HydrophobicContact CE-CG 3.91Å; P91-S93 VanDerWaalsContact C-N 3.26Å; P91-S93 PolarHBondContact O-N 2.92Å
92	A	88	Confident	85.3	Confident	26 Å²	26	63 Å²	63	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-17.8	-177.9	0	0	0	0	0	112.8	D90 T94 E95 V96 R119	D90-A92 PolarHBondContact O-N 3.26Å; D90-A92 PolarHBondContact OD1-N 3.12Å; A92-T94 PolarHBondContact O-N 3.34Å; A92-E95 PolarHBondContact O-N 2.97Å; A92-E95 VanDerWaalsContact O-N 3.07Å; A92-V96 WeakPolarHBondContact O-CG2 3.41Å; A92-V96 PolarHBondContact O-N 2.73Å; A92-R119 VanDerWaalsContact CB-NH2 3.29Å
93	S	91.6	Very high	86.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56.7	-33.5	177.7	-69.4	0	0	0	0	112.8	A66 Y68 D90 P91 M97 F116	A66-S93 WeakPolarHBondContact O-CB 3.32Å; Y68-S93 WeakPolarHBondContact CB-OG 3.45Å; Y68-S93 PolarHBondContact N-OG 2.94Å; D90-S93 VanDerWaalsContact O-CB 3.3Å; D90-S93 WeakPolarHBondContact O-CB 3.42Å; D90-S93 PolarHBondContact O-N 3.49Å; D90-S93 PolarHBondContact O-OG 3.07Å; D90-S93 PolarHBondContact OD2-N 3.2Å; D90-S93 PolarHBondContact OD2-OG 2.95Å; P91-S93 VanDerWaalsContact C-N 3.26Å; P91-S93 PolarHBondContact O-N 2.92Å; S93-M97 WeakPolarHBondContact O-CB 3.06Å; S93-M97 WeakPolarHBondContact O-CG 3.25Å; S93-M97 PolarHBondContact O-N 2.61Å; S93-F116 WeakPolarHBondContact OG-CD1 3.44Å
94	T	92.5	Very high	87.1	Confident	39 Å²	39	65.8 Å²	65.8	24%	0.239	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-45.4	175.5	-63.6	0	0	0	0	111.6	A66 A92 M97 I98	A66-T94 PolarHBondContact N-OG1 2.94Å; A66-T94 PolarHBondContact O-N 3.25Å; A66-T94 PolarHBondContact O-OG1 2.86Å; A92-T94 PolarHBondContact O-N 3.34Å; T94-M97 PolarHBondContact O-N 3.02Å; T94-I98 HydrophobicContact CG2-CD1 3.78Å; T94-I98 HydrophobicContact CG2-CG1 4.43Å; T94-I98 VanDerWaalsContact O-CG1 3.31Å; T94-I98 WeakPolarHBondContact O-CG1 3.47Å; T94-I98 PolarHBondContact O-N 2.86Å
95	E	90.9	Very high	88.1	Confident	142 Å²	142	63.2 Å²	63.2	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-66.7	-38.6	178.7	-171.4	178	-166.9	0	0	112.2	A92 M97 I98 S99	A92-E95 PolarHBondContact O-N 2.97Å; A92-E95 VanDerWaalsContact O-N 3.07Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 2.7Å; E95-I98 PolarHBondContact O-N 2.95Å; E95-S99 WeakPolarHBondContact O-CB 3.17Å; E95-S99 PolarHBondContact O-N 3.14Å; E95-S99 PolarHBondContact O-OG 3.06Å
96	V	92.4	Very high	89.1	Confident	32 Å²	32	66.9 Å²	66.9	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-38.8	172.6	174.3	0	0	0	0	111.5	A92 S99 R100 T115 F116	A92-V96 WeakPolarHBondContact O-CG2 3.41Å; A92-V96 PolarHBondContact O-N 2.73Å; V96-S99 PolarHBondContact O-OG 2.82Å; V96-R100 WeakPolarHBondContact O-CB 3.31Å; V96-R100 VanDerWaalsContact O-CG 3.29Å; V96-R100 WeakPolarHBondContact O-CG 3.2Å; V96-R100 PolarHBondContact O-N 3.5Å; V96-T115 HydrophobicContact CG1-CG2 4.09Å; V96-F116 HydrophobicContact CB-CD1 4.19Å; V96-F116 HydrophobicContact CB-CE1 3.96Å; V96-F116 HydrophobicContact CG1-CD1 4.03Å; V96-F116 HydrophobicContact CG1-CE1 3.67Å; V96-F116 HydrophobicContact CG1-CZ 4.32Å
97	M	93.8	Very high	89.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-74.3	-41.3	177.6	-74.9	-56	-56.6	0	0	112.8	M51 I53 I63 A66 S93 T94 E95 R100 C101 V109 F116 L127 T129	M51-M97 HydrophobicContact CE-CE 3.33Å; M51-M97 HydrophobicContact CE-SD 3.91Å; I53-M97 HydrophobicContact CD1-CE 4.14Å; I63-M97 HydrophobicContact CD1-CE 4.37Å; I63-M97 HydrophobicContact CG1-CB 4.5Å; I63-M97 HydrophobicContact CG2-CB 3.98Å; A66-M97 HydrophobicContact CB-CB 3.79Å; A66-M97 HydrophobicContact CB-CG 3.41Å; A66-M97 VanDerWaalsContact CB-CG 3.41Å; S93-M97 WeakPolarHBondContact O-CB 3.06Å; S93-M97 WeakPolarHBondContact O-CG 3.25Å; S93-M97 PolarHBondContact O-N 2.61Å; T94-M97 PolarHBondContact O-N 3.02Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 2.7Å; M97-R100 PolarHBondContact O-N 3.04Å; M97-C101 HydrophobicContact CE-CB 4.28Å; M97-C101 WeakPolarHBondContact CE-SG 3.32Å; M97-C101 WeakPolarHBondContact O-CB 3.37Å; M97-C101 PolarHBondContact O-N 2.98Å; M97-V109 HydrophobicContact CE-CG2 4.04Å; M97-V109 HydrophobicContact SD-CB 4.12Å; M97-V109 HydrophobicContact SD-CG1 3.94Å; M97-V109 HydrophobicContact SD-CG2 3.84Å; M97-F116 HydrophobicContact CG-CE1 4.34Å; M97-F116 HydrophobicContact CG-CZ 4.41Å; M97-F116 HydrophobicContact SD-CZ 4.07Å; M97-L127 HydrophobicContact SD-CD2 4.23Å; M97-T129 HydrophobicContact CE-CG2 3.98Å
98	I	93.3	Very high	90.3	Very high	75 Å²	75	60.2 Å²	60.2	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-57.3	-56.4	173.6	-69.9	164.2	0	0	0	109.5	I63 T94 E95 R100 C101 D102	I63-I98 HydrophobicContact CB-CG1 3.8Å; I63-I98 HydrophobicContact CG2-CG1 3.84Å; T94-I98 HydrophobicContact CG2-CD1 3.78Å; T94-I98 HydrophobicContact CG2-CG1 4.43Å; T94-I98 VanDerWaalsContact O-CG1 3.31Å; T94-I98 WeakPolarHBondContact O-CG1 3.47Å; T94-I98 PolarHBondContact O-N 2.86Å; E95-I98 PolarHBondContact O-N 2.95Å; I98-R100 PolarHBondContact O-N 3.2Å; I98-R100 VanDerWaalsContact O-N 3.14Å; I98-C101 PolarHBondContact O-N 3.18Å; I98-D102 HydrophobicContact CG2-CB 4.12Å; I98-D102 WeakPolarHBondContact O-CB 3.48Å; I98-D102 PolarHBondContact O-N 2.94Å
99	S	92.2	Very high	90.6	Very high	88 Å²	88	59.7 Å²	59.7	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-60.9	-26.8	-177.1	55.9	0	0	0	0	114.6	E95 V96	E95-S99 WeakPolarHBondContact O-CB 3.17Å; E95-S99 PolarHBondContact O-N 3.14Å; E95-S99 PolarHBondContact O-OG 3.06Å; V96-S99 PolarHBondContact O-OG 2.82Å
100	R	91.9	Very high	91	Very high	98 Å²	98	57.3 Å²	57.3	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-90.6	-36.3	178.5	-71	-176	-178.8	-163.8	7	114.3	V96 M97 I98 R104 C107 V109 T115	V96-R100 WeakPolarHBondContact O-CB 3.31Å; V96-R100 VanDerWaalsContact O-CG 3.29Å; V96-R100 WeakPolarHBondContact O-CG 3.2Å; V96-R100 PolarHBondContact O-N 3.5Å; M97-R100 PolarHBondContact O-N 3.04Å; I98-R100 PolarHBondContact O-N 3.2Å; I98-R100 VanDerWaalsContact O-N 3.14Å; R100-R104 WeakPolarHBondContact O-CD 3.47Å; R100-R104 PolarHBondContact O-NE 3.36Å; R100-C107 PolarHBondContact O-SG 3.23Å; R100-V109 HydrophobicContact CB-CG2 4.37Å; R100-T115 PolarHBondContact NH1-OG1 3.04Å; R100-T115 VanDerWaalsContact NH1-OG1 3.16Å
101	C	94	Very high	91.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-120.8	-18.5	-164.1	-60.9	0	0	0	0	116	I53 I63 M97 I98 R104 C107	I53-C101 HydrophobicContact CD1-CB 4.02Å; I63-C101 HydrophobicContact CD1-CB 3.98Å; I63-C101 HydrophobicContact CG1-CB 4.17Å; M97-C101 HydrophobicContact CE-CB 4.28Å; M97-C101 WeakPolarHBondContact CE-SG 3.32Å; M97-C101 WeakPolarHBondContact O-CB 3.37Å; M97-C101 PolarHBondContact O-N 2.98Å; I98-C101 PolarHBondContact O-N 3.18Å; C101-R104 PolarHBondContact O-N 3.05Å; C101-C107 WeakPolarHBondContact CA-SG 3.13Å; C101-C107 HydrophobicContact CB-CB 3.48Å; C101-C107 VanDerWaalsContact CB-CB 3.48Å; C101-C107 WeakPolarHBondContact CB-SG 3.43Å; C101-C107 WeakPolarHBondContact SG-CB 3.4Å; C101-C107 CovalentContact SG-SG 2.03Å; C101-C107 PolarHBondContact SG-SG 3.46Å
102	D	92.3	Very high	91.8	Very high	52 Å²	52	54.5 Å²	54.5	28%	0.278	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	146.2	-176.2	-151.4	74.1	0	0	0	111.5	R62 I63 I98 R104	R62-D102 VanDerWaalsContact CA-OD1 3.29Å; R62-D102 WeakPolarHBondContact CA-OD1 3.48Å; I63-D102 PolarHBondContact N-OD1 3.06Å; I98-D102 HydrophobicContact CG2-CB 4.12Å; I98-D102 WeakPolarHBondContact O-CB 3.48Å; I98-D102 PolarHBondContact O-N 2.94Å; D102-R104 PolarHBondContact O-N 3.49Å; D102-R104 VanDerWaalsContact O-N 3.12Å
103	S	90.4	Very high	91.8	Very high	85 Å²	85	56.4 Å²	56.4	59%	0.594	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	17.2	-176.4	-59.1	0	0	0	0	115.7	I61	I61-S103 PolarHBondContact O-N 3.44Å
104	R	91.4	Very high	91.6	Very high	138 Å²	138	66.8 Å²	66.8	52%	0.521	34%	0.337	S	S	.	.			trans	-106.3	148.9	174.4	-60.2	-178.8	-175.7	-111.9	-1.6	111.5	I61 R100 C101 D102 Y106	I61-R104 WeakPolarHBondContact CB-O 3.5Å; I61-R104 WeakPolarHBondContact CD1-O 3.46Å; I61-R104 WeakPolarHBondContact CG1-O 3.33Å; I61-R104 PolarHBondContact N-O 3.43Å; R100-R104 WeakPolarHBondContact O-CD 3.47Å; R100-R104 PolarHBondContact O-NE 3.36Å; C101-R104 PolarHBondContact O-N 3.05Å; D102-R104 PolarHBondContact O-N 3.49Å; D102-R104 VanDerWaalsContact O-N 3.12Å; R104-Y106 VanDerWaalsContact C-N 3.3Å
105	P	87.1	Confident	91.3	Very high	76 Å²	76	65.8 Å²	65.8	49%	0.494	33%	0.332	S	S	.	.	S	Bend	trans	-76.2	-19.3	172.5	31.3	-35.3	0	0	0	112.9	S54 C55	S54-P105 WeakPolarHBondContact CA-O 3.45Å; C55-P105 PolarHBondContact N-O 2.84Å
106	Y	91.1	Very high	91.2	Very high	133 Å²	133	59.1 Å²	59.1	52%	0.522	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.7	-174.5	172.9	-92.7	0	0	0	109.8	T52 I53 R104 V108	T52-Y106 HydrophobicContact CG2-CD2 4.17Å; T52-Y106 HydrophobicContact CG2-CE2 3.32Å; I53-Y106 WeakPolarHBondContact O-CA 3.48Å; R104-Y106 VanDerWaalsContact C-N 3.3Å; Y106-V108 HydrophobicContact CD1-CG2 4.4Å; Y106-V108 HydrophobicContact CE1-CG2 3.42Å; Y106-V108 VanDerWaalsContact CE1-CG2 3.42Å; Y106-V108 HydrophobicContact CE2-CG2 4.47Å; Y106-V108 VanDerWaalsContact CZ-CG2 3.46Å; Y106-V108 WeakPolarHBondContact OH-CG2 3.3Å
107	C	93.6	Very high	90.6	Very high	9 Å²	9	67.4 Å²	67.4	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.5	178.2	-167.2	0	0	0	0	112.2	T52 I53 I61 R100 C101	T52-C107 WeakPolarHBondContact CA-O 3.42Å; I53-C107 HydrophobicContact CD1-CB 4.32Å; I53-C107 HydrophobicContact CG1-CB 3.84Å; I53-C107 PolarHBondContact N-O 2.66Å; I53-C107 PolarHBondContact O-N 2.7Å; I61-C107 HydrophobicContact CD1-CB 4.11Å; R100-C107 PolarHBondContact O-SG 3.23Å; C101-C107 WeakPolarHBondContact CA-SG 3.13Å; C101-C107 HydrophobicContact CB-CB 3.48Å; C101-C107 VanDerWaalsContact CB-CB 3.48Å; C101-C107 WeakPolarHBondContact CB-SG 3.43Å; C101-C107 WeakPolarHBondContact SG-CB 3.4Å; C101-C107 CovalentContact SG-SG 2.03Å; C101-C107 PolarHBondContact SG-SG 3.46Å
108	V	93	Very high	90	Very high	67 Å²	67	69.6 Å²	69.6	41%	0.406	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.7	178.6	-177.3	0	0	0	0	109.3	V50 M51 T52 Y106	V50-V108 HydrophobicContact CG1-CG1 3.34Å; M51-V108 CarbonylContact O-C 3.58Å; M51-V108 WeakPolarHBondContact O-CA 3.3Å; T52-V108 HydrophobicContact CG2-CG2 4.2Å; Y106-V108 HydrophobicContact CD1-CG2 4.4Å; Y106-V108 HydrophobicContact CE1-CG2 3.42Å; Y106-V108 VanDerWaalsContact CE1-CG2 3.42Å; Y106-V108 HydrophobicContact CE2-CG2 4.47Å; Y106-V108 VanDerWaalsContact CZ-CG2 3.46Å; Y106-V108 WeakPolarHBondContact OH-CG2 3.3Å
109	V	92.8	Very high	89.4	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	125.6	-178.5	-177.1	0	0	0	0	110.1	M51 M97 R100 T115 F116 L127	M51-V109 WeakPolarHBondContact CA-O 3.46Å; M51-V109 WeakPolarHBondContact CB-O 3.21Å; M51-V109 PolarHBondContact N-O 3.24Å; M51-V109 PolarHBondContact O-N 3.29Å; M97-V109 HydrophobicContact CE-CG2 4.04Å; M97-V109 HydrophobicContact SD-CB 4.12Å; M97-V109 HydrophobicContact SD-CG1 3.94Å; M97-V109 HydrophobicContact SD-CG2 3.84Å; R100-V109 HydrophobicContact CB-CG2 4.37Å; V109-T115 HydrophobicContact CG1-CG2 3.82Å; V109-F116 HydrophobicContact CG1-CE2 4.1Å; V109-F116 HydrophobicContact CG1-CZ 3.92Å; V109-L127 HydrophobicContact CG1-CD2 4.4Å
110	T	93.1	Very high	89	Confident	58 Å²	58	68.1 Å²	68.1	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.5	173.7	-47.1	0	0	0	0	110.3	V50 S112 T115	V50-T110 HydrophobicContact CG2-CG2 4.37Å; T110-S112 PolarHBondContact O-N 3.01Å; T110-T115 WeakPolarHBondContact O-CB 3.36Å; T110-T115 PolarHBondContact O-OG1 3.27Å
111	A	91.8	Very high	88.4	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.329	C	S	.	.			trans	-76.6	84.2	176.6	0	0	0	0	0	109.7	A45 C46 R48 E49 Y68 L127	A45-A111 HydrophobicContact CB-CB 4.12Å; C46-A111 WeakPolarHBondContact O-CB 3.18Å; R48-A111 PolarHBondContact N-O 2.9Å; E49-A111 PolarHBondContact O-N 3.44Å; Y68-A111 HydrophobicContact CD2-CB 4.49Å; Y68-A111 HydrophobicContact CE2-CB 4.08Å; A111-L127 HydrophobicContact CB-CB 3.74Å; A111-L127 HydrophobicContact CB-CD2 4.35Å
112	S	90.6	Very high	87.5	Confident	23 Å²	23	78.9 Å²	78.9	16%	0.161	37%	0.374	C	S	.	.	S	Bend	trans	-146.8	156	-174.5	63.7	0	0	0	0	113.2	Y68 T110 Y114 T115 F116	Y68-S112 WeakPolarHBondContact OH-CA 3.43Å; T110-S112 PolarHBondContact O-N 3.01Å; S112-Y114 PolarHBondContact O-N 2.7Å; S112-T115 WeakPolarHBondContact O-CA 3.31Å; S112-T115 PolarHBondContact O-N 3.2Å; S112-F116 PolarHBondContact O-N 3.44Å
113	D	88.1	Confident	86.7	Confident	66 Å²	66	77.1 Å²	77.1	35%	0.353	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.4	179.3	-61.3	15.2	0	0	0	113.1	Y68 F116 D118 K125	Y68-D113 WeakPolarHBondContact CE1-OD1 3.48Å; Y68-D113 VanDerWaalsContact CZ-OD1 3.29Å; Y68-D113 PolarHBondContact OH-N 3.37Å; Y68-D113 PolarHBondContact OH-OD1 2.95Å; D113-F116 CarbonylContact C-O 3.18Å; D113-F116 VanDerWaalsContact CA-O 3.23Å; D113-F116 WeakPolarHBondContact CA-O 3.49Å; D113-D118 HydrophobicContact CB-CB 4.38Å; D113-K125 WeakPolarHBondContact OD1-CE 3.08Å; D113-K125 IonicContact OD1-NZ 3.09Å; D113-K125 PolarHBondContact OD1-NZ 2.91Å; D113-K125 WeakPolarHBondContact OD2-CE 3.09Å; D113-K125 IonicContact OD2-NZ 3.82Å; D113-K125 PolarHBondContact OD2-NZ 2.68Å
114	Y	87.1	Confident	86.4	Confident	218 Å²	218	76.3 Å²	76.3	86%	0.855	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-30.3	168.5	-177.9	-97.1	0	0	0	112.6	S112	S112-Y114 PolarHBondContact O-N 2.7Å
115	T	86.5	Confident	86.3	Confident	19 Å²	19	70.1 Å²	70.1	12%	0.117	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-41.4	177	-77.3	0	0	0	0	112	V96 R100 V109 T110 S112	V96-T115 HydrophobicContact CG1-CG2 4.09Å; R100-T115 PolarHBondContact NH1-OG1 3.04Å; R100-T115 VanDerWaalsContact NH1-OG1 3.16Å; V109-T115 HydrophobicContact CG1-CG2 3.82Å; T110-T115 WeakPolarHBondContact O-CB 3.36Å; T110-T115 PolarHBondContact O-OG1 3.27Å; S112-T115 WeakPolarHBondContact O-CA 3.31Å; S112-T115 PolarHBondContact O-N 3.2Å
116	F	87.8	Confident	86.6	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.009	31%	0.311	C	S	.	.	S	Bend	trans	-113.4	140	179.2	-57.8	-79.1	0	0	0	108.2	Y68 S93 V96 M97 V109 S112 D113 D118 L127	Y68-F116 HydrophobicContact CD1-CB 3.32Å; Y68-F116 HydrophobicContact CD1-CD2 4.03Å; Y68-F116 AromaticContact CD1-CG 3.87Å; Y68-F116 HydrophobicContact CD1-CG 3.87Å; Y68-F116 AromaticContact CD2-CD2 3.88Å; Y68-F116 HydrophobicContact CD2-CD2 3.88Å; Y68-F116 HydrophobicContact CD2-CE2 4.41Å; Y68-F116 HydrophobicContact CD2-CG 4.39Å; Y68-F116 HydrophobicContact CE1-CB 3.9Å; Y68-F116 HydrophobicContact CE1-CD2 4.41Å; Y68-F116 HydrophobicContact CE2-CD2 4.33Å; Y68-F116 HydrophobicContact CG-CB 3.76Å; Y68-F116 AromaticContact CG-CD2 3.71Å; Y68-F116 HydrophobicContact CG-CD2 3.71Å; Y68-F116 AromaticContact CG-CG 3.75Å; Y68-F116 HydrophobicContact CG-CG 3.75Å; S93-F116 WeakPolarHBondContact OG-CD1 3.44Å; V96-F116 HydrophobicContact CB-CD1 4.19Å; V96-F116 HydrophobicContact CB-CE1 3.96Å; V96-F116 HydrophobicContact CG1-CD1 4.03Å; V96-F116 HydrophobicContact CG1-CE1 3.67Å; V96-F116 HydrophobicContact CG1-CZ 4.32Å; M97-F116 HydrophobicContact CG-CE1 4.34Å; M97-F116 HydrophobicContact CG-CZ 4.41Å; M97-F116 HydrophobicContact SD-CZ 4.07Å; V109-F116 HydrophobicContact CG1-CE2 4.1Å; V109-F116 HydrophobicContact CG1-CZ 3.92Å; S112-F116 PolarHBondContact O-N 3.44Å; D113-F116 CarbonylContact C-O 3.18Å; D113-F116 VanDerWaalsContact CA-O 3.23Å; D113-F116 WeakPolarHBondContact CA-O 3.49Å; F116-D118 PolarHBondContact O-N 3.26Å; F116-L127 HydrophobicContact CE1-CD1 3.98Å; F116-L127 HydrophobicContact CE2-CD1 3.96Å; F116-L127 HydrophobicContact CE2-CD2 3.73Å; F116-L127 HydrophobicContact CE2-CG 4.35Å; F116-L127 HydrophobicContact CZ-CD1 3.51Å; F116-L127 HydrophobicContact CZ-CD2 3.61Å; F116-L127 HydrophobicContact CZ-CG 4.18Å
117	R	81.4	Confident	86.7	Confident	205 Å²	205	60.3 Å²	60.3	77%	0.774	29%	0.286	S	S	*	.			trans	-68	133.1	176.9	-67.6	-176.5	-178.5	-178.1	2	109.3	R119	R117-R119 PolarHBondContact O-N 3.04Å
118	D	79.6	Confident	86.6	Confident	47 Å²	47	60.7 Å²	60.7	25%	0.251	29%	0.287	S	S	.	.			trans	-69	106.2	174	-168.8	24.2	0	0	0	110.6	D113 F116 C120 F121 K125	D113-D118 HydrophobicContact CB-CB 4.38Å; F116-D118 PolarHBondContact O-N 3.26Å; D118-C120 PolarHBondContact OD1-N 3.39Å; D118-C120 VanDerWaalsContact OD1-N 3.1Å; D118-F121 HydrophobicContact CB-CE1 4.37Å; D118-F121 WeakPolarHBondContact O-CZ 3.22Å; D118-F121 VanDerWaalsContact OD2-CD1 3.27Å; D118-F121 WeakPolarHBondContact OD2-CD1 3.44Å; D118-K125 VanDerWaalsContact CG-NZ 3.29Å; D118-K125 WeakPolarHBondContact OD1-CE 3.46Å; D118-K125 IonicContact OD1-NZ 2.86Å; D118-K125 PolarHBondContact OD1-NZ 3.46Å; D118-K125 IonicContact OD2-NZ 2.7Å
119	R	82.4	Confident	86.6	Confident	129 Å²	129	57.5 Å²	57.5	49%	0.487	27%	0.267	S	S	.	.			trans	-111.1	2.8	169.1	-73.4	-156.6	-97.5	-153.7	-5.5	112.4	D90 A92 R117	D90-R119 IonicContact OD1-CZ 2.68Å; D90-R119 IonicContact OD1-NE 3.1Å; D90-R119 PolarHBondContact OD1-NE 3.18Å; D90-R119 IonicContact OD1-NH2 2.78Å; D90-R119 PolarHBondContact OD1-NH2 2.83Å; A92-R119 VanDerWaalsContact CB-NH2 3.29Å; R117-R119 PolarHBondContact O-N 3.04Å
120	C	82	Confident	86.6	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.014	27%	0.267	C	S	.	.	S	Bend	trans	-124.9	58.2	-173.9	-76.6	0	0	0	0	110.3	C88 D118 T123 K125	C88-C120 VanDerWaalsContact C-SG 3.55Å; C88-C120 HydrophobicContact CB-CB 3.98Å; C88-C120 WeakPolarHBondContact CB-SG 3.42Å; C88-C120 WeakPolarHBondContact SG-CA 3.25Å; C88-C120 WeakPolarHBondContact SG-CB 3.35Å; C88-C120 CovalentContact SG-SG 2.03Å; C88-C120 PolarHBondContact SG-SG 2.99Å; D118-C120 PolarHBondContact OD1-N 3.39Å; D118-C120 VanDerWaalsContact OD1-N 3.1Å; C120-T123 PolarHBondContact O-N 2.84Å; C120-K125 HydrophobicContact CB-CD 3.82Å; C120-K125 HydrophobicContact CB-CG 4.04Å
121	F	79.4	Confident	86.6	Confident	148 Å²	148	55.6 Å²	55.6	65%	0.649	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	146.9	176.7	-55.1	-65.6	0	0	0	112	D118 T123	D118-F121 HydrophobicContact CB-CE1 4.37Å; D118-F121 WeakPolarHBondContact O-CZ 3.22Å; D118-F121 VanDerWaalsContact OD2-CD1 3.27Å; D118-F121 WeakPolarHBondContact OD2-CD1 3.44Å; F121-T123 PolarHBondContact O-N 3.41Å; F121-T123 PolarHBondContact O-OG1 3.18Å
122	D	75.5	Confident	86.5	Confident	177 Å²	177	57 Å²	57	95%	0.947	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	18.8	-179.8	-58.1	-29.8	0	0	0	115.9
123	T	76.9	Confident	86.5	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.086	26%	0.262	C	S	.	.	S	Bend	trans	-123.6	127.8	177	-50.5	0	0	0	0	109	R70 C120 F121 K125	R70-T123 HydrophobicContact CB-CG2 3.88Å; R70-T123 HydrophobicContact CG-CG2 4.49Å; C120-T123 PolarHBondContact O-N 2.84Å; F121-T123 PolarHBondContact O-N 3.41Å; F121-T123 PolarHBondContact O-OG1 3.18Å; T123-K125 WeakPolarHBondContact O-CG 3.4Å; T123-K125 PolarHBondContact O-N 3.02Å
124	V	84.1	Confident	86.5	Confident	69 Å²	69	55.5 Å²	55.5	42%	0.418	25%	0.253	S	S	.	.			trans	-70.4	123.6	172.1	178.4	0	0	0	0	108.3	R70 W83	R70-V124 VanDerWaalsContact CZ-O 3.24Å; R70-V124 PolarHBondContact NE-O 3.27Å; R70-V124 PolarHBondContact NH2-O 2.88Å; W83-V124 HydrophobicContact CZ2-CB 4Å; W83-V124 HydrophobicContact CZ2-CG2 4.22Å
125	K	89.4	Confident	86.3	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.03	23%	0.233	C	C	.	.			trans	-95.8	166.3	-169.1	-62.1	168.2	-67.6	-99.8	0	111.7	E47 Y68 D113 D118 C120 T123	E47-K125 VanDerWaalsContact CB-O 3.27Å; E47-K125 WeakPolarHBondContact CB-O 3.38Å; E47-K125 PolarHBondContact N-O 3.09Å; E47-K125 VanDerWaalsContact N-O 3.16Å; E47-K125 PolarHBondContact OE2-N 3.35Å; Y68-K125 HydrophobicContact CD1-CD 3.95Å; Y68-K125 HydrophobicContact CD2-CB 4.31Å; Y68-K125 HydrophobicContact CE1-CB 4.24Å; Y68-K125 HydrophobicContact CE1-CD 3.59Å; Y68-K125 HydrophobicContact CE1-CG 4.5Å; Y68-K125 HydrophobicContact CE2-CB 3.94Å; D113-K125 WeakPolarHBondContact OD1-CE 3.08Å; D113-K125 IonicContact OD1-NZ 3.09Å; D113-K125 PolarHBondContact OD1-NZ 2.91Å; D113-K125 WeakPolarHBondContact OD2-CE 3.09Å; D113-K125 IonicContact OD2-NZ 3.82Å; D113-K125 PolarHBondContact OD2-NZ 2.68Å; D118-K125 VanDerWaalsContact CG-NZ 3.29Å; D118-K125 WeakPolarHBondContact OD1-CE 3.46Å; D118-K125 IonicContact OD1-NZ 2.86Å; D118-K125 PolarHBondContact OD1-NZ 3.46Å; D118-K125 IonicContact OD2-NZ 2.7Å; C120-K125 HydrophobicContact CB-CD 3.82Å; C120-K125 HydrophobicContact CB-CG 4.04Å; T123-K125 WeakPolarHBondContact O-CG 3.4Å; T123-K125 PolarHBondContact O-N 3.02Å
126	Y	92	Very high	85.3	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.1	161.2	61	-101.4	0	0	0	109.5	Y44 A45 Y68 G69 R70 F71 S72 V75 C76 E128	Y44-Y126 HydrophobicContact CD1-CD2 4.06Å; Y44-Y126 HydrophobicContact CD1-CE2 4.05Å; Y44-Y126 HydrophobicContact CE1-CE2 4.23Å; A45-Y126 CarbonylContact O-C 3.5Å; A45-Y126 WeakPolarHBondContact O-CA 3.39Å; A45-Y126 WeakPolarHBondContact O-CB 3.41Å; Y68-Y126 WeakPolarHBondContact CA-O 3.49Å; G69-Y126 PolarHBondContact N-O 2.89Å; G69-Y126 PolarHBondContact O-N 3.3Å; R70-Y126 HydrophobicContact CB-CE1 4.31Å; R70-Y126 HydrophobicContact CG-CE1 4.07Å; F71-Y126 PolarHBondContact N-OH 2.95Å; S72-Y126 PolarHBondContact N-OH 3.09Å; V75-Y126 HydrophobicContact CB-CD1 4.14Å; V75-Y126 HydrophobicContact CB-CE1 3.81Å; V75-Y126 HydrophobicContact CB-CE2 4.45Å; V75-Y126 HydrophobicContact CG1-CD1 3.87Å; V75-Y126 HydrophobicContact CG1-CD2 3.94Å; V75-Y126 HydrophobicContact CG1-CE1 3.96Å; V75-Y126 HydrophobicContact CG1-CE2 4.05Å; V75-Y126 HydrophobicContact CG1-CG 3.87Å; C76-Y126 HydrophobicContact CB-CD1 4.44Å; Y126-E128 HydrophobicContact CD2-CB 4.27Å; Y126-E128 HydrophobicContact CE2-CB 4.03Å
127	L	93.2	Very high	83.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.1	172.4	179.7	60.4	0	0	0	109.1	Y44 A45 M51 A66 Y68 M97 V109 A111 F116	Y44-L127 CarbonylContact C-O 3.47Å; Y44-L127 VanDerWaalsContact CA-O 3.25Å; Y44-L127 WeakPolarHBondContact CA-O 3.31Å; A45-L127 PolarHBondContact N-O 3.36Å; A45-L127 PolarHBondContact O-N 2.82Å; M51-L127 HydrophobicContact CB-CD2 4.31Å; M51-L127 HydrophobicContact CE-CD2 3.44Å; M51-L127 VanDerWaalsContact CE-CD2 3.44Å; M51-L127 HydrophobicContact CE-CG 4.16Å; M51-L127 HydrophobicContact SD-CD2 3.81Å; M51-L127 HydrophobicContact SD-CG 4.09Å; A66-L127 HydrophobicContact CB-CD1 4.5Å; Y68-L127 HydrophobicContact CD2-CB 4.1Å; M97-L127 HydrophobicContact SD-CD2 4.23Å; V109-L127 HydrophobicContact CG1-CD2 4.4Å; A111-L127 HydrophobicContact CB-CB 3.74Å; A111-L127 HydrophobicContact CB-CD2 4.35Å; F116-L127 HydrophobicContact CE1-CD1 3.98Å; F116-L127 HydrophobicContact CE2-CD1 3.96Å; F116-L127 HydrophobicContact CE2-CD2 3.73Å; F116-L127 HydrophobicContact CE2-CG 4.35Å; F116-L127 HydrophobicContact CZ-CD1 3.51Å; F116-L127 HydrophobicContact CZ-CD2 3.61Å; F116-L127 HydrophobicContact CZ-CG 4.18Å
128	E	92.9	Very high	81.9	Confident	17 Å²	17	56.7 Å²	56.7	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.5	166.5	177	-178.4	151.3	0	0	108.5	T42 Y44 R65 A66 N67 Y126	T42-E128 HydrophobicContact CG2-CG 3.87Å; Y44-E128 HydrophobicContact CD1-CB 3.99Å; Y44-E128 HydrophobicContact CD1-CG 4.12Å; Y44-E128 HydrophobicContact CE1-CB 3.92Å; Y44-E128 HydrophobicContact CE1-CG 3.6Å; R65-E128 IonicContact CZ-OE1 3.34Å; R65-E128 IonicContact NH1-OE1 3.51Å; R65-E128 PolarHBondContact NH1-OE1 2.95Å; R65-E128 IonicContact NH2-OE1 2.77Å; R65-E128 PolarHBondContact NH2-OE1 3.46Å; A66-E128 CarbonylContact C-O 3.51Å; A66-E128 WeakPolarHBondContact CA-O 3.41Å; N67-E128 PolarHBondContact N-O 3.37Å; N67-E128 PolarHBondContact O-N 3.37Å; Y126-E128 HydrophobicContact CD2-CB 4.27Å; Y126-E128 HydrophobicContact CE2-CB 4.03Å
129	T	92.2	Very high	79.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.4	174.7	-66.1	0	0	0	0	110.2	T42 K43 M51 I63 A66 M97 Y131	T42-T129 CarbonylContact C-O 3.59Å; T42-T129 VanDerWaalsContact CA-O 3.31Å; T42-T129 WeakPolarHBondContact CA-O 3.4Å; K43-T129 PolarHBondContact N-O 3.38Å; K43-T129 PolarHBondContact O-N 3.08Å; M51-T129 HydrophobicContact CE-CG2 4.34Å; M51-T129 WeakPolarHBondContact CE-OG1 3.46Å; I63-T129 HydrophobicContact CD1-CG2 4.03Å; A66-T129 HydrophobicContact CB-CG2 4.33Å; A66-T129 WeakPolarHBondContact CB-OG1 3.23Å; M97-T129 HydrophobicContact CE-CG2 3.98Å; T129-Y131 HydrophobicContact CG2-CD1 4.49Å
130	T	92.5	Very high	77.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126	169.1	-49.6	0	0	0	0	109.2	Q40 L41 T42 I64 R65	Q40-T130 HydrophobicContact CB-CG2 3.87Å; L41-T130 CarbonylContact O-C 3.57Å; L41-T130 WeakPolarHBondContact O-CA 3.4Å; T42-T130 PolarHBondContact OG1-OG1 3.32Å; I64-T130 HydrophobicContact CB-CG2 4.43Å; I64-T130 HydrophobicContact CD1-CG2 4.46Å; I64-T130 PolarHBondContact N-O 2.95Å; R65-T130 PolarHBondContact N-O 2.8Å; R65-T130 PolarHBondContact NE-OG1 3.18Å; R65-T130 PolarHBondContact NH2-OG1 3.39Å; R65-T130 PolarHBondContact O-N 3.32Å
131	Y	92.6	Very high	75.4	Confident	21 Å²	21	67.4 Å²	67.4	8%	0.082	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.6	-178.8	70.9	-81.6	0	0	0	110.5	L41 K43 I53 I61 R62 T129	L41-Y131 HydrophobicContact CB-CD1 4.11Å; L41-Y131 HydrophobicContact CB-CD2 4.42Å; L41-Y131 HydrophobicContact CB-CE1 3.74Å; L41-Y131 HydrophobicContact CB-CE2 4.09Å; L41-Y131 HydrophobicContact CB-CG 4.44Å; L41-Y131 HydrophobicContact CD1-CD2 4.37Å; L41-Y131 HydrophobicContact CD1-CE2 3.64Å; L41-Y131 PolarHBondContact N-O 3.18Å; L41-Y131 VanDerWaalsContact O-CD1 3.25Å; L41-Y131 WeakPolarHBondContact O-CD1 3.47Å; L41-Y131 PolarHBondContact O-N 3.07Å; K43-Y131 HydrophobicContact CB-CE1 4.45Å; I53-Y131 HydrophobicContact CB-CE1 4.05Å; I53-Y131 HydrophobicContact CB-CE2 4.5Å; I53-Y131 HydrophobicContact CG2-CD1 4.07Å; I53-Y131 HydrophobicContact CG2-CE1 3.55Å; I61-Y131 HydrophobicContact CG2-CD2 4.08Å; I61-Y131 HydrophobicContact CG2-CG 4.37Å; R62-Y131 CarbonylContact O-C 3.04Å; R62-Y131 VanDerWaalsContact O-CA 3.25Å; R62-Y131 WeakPolarHBondContact O-CA 3.35Å; R62-Y131 WeakPolarHBondContact O-CB 3.33Å; T129-Y131 HydrophobicContact CG2-CD1 4.49Å
132	E	91.6	Very high	73.2	Confident	28 Å²	28	67.4 Å²	67.4	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	169.1	168.2	62	-179.5	-86.2	0	0	110	R62 I64 V134	R62-E132 HydrophobicContact CB-CG 3.82Å; R62-E132 HydrophobicContact CG-CG 4.4Å; R62-E132 VanDerWaalsContact CZ-CD 3.49Å; R62-E132 IonicContact CZ-OE1 3.26Å; R62-E132 IonicContact CZ-OE2 2.84Å; R62-E132 PolarHBondContact N-O 3.37Å; R62-E132 VanDerWaalsContact NE-CD 3.26Å; R62-E132 IonicContact NE-OE1 2.83Å; R62-E132 IonicContact NE-OE2 3.57Å; R62-E132 PolarHBondContact NE-OE2 3.13Å; R62-E132 VanDerWaalsContact NE-OE2 3.15Å; R62-E132 IonicContact NH2-OE1 3.14Å; R62-E132 PolarHBondContact NH2-OE1 3.11Å; R62-E132 IonicContact NH2-OE2 2.82Å; R62-E132 PolarHBondContact NH2-OE2 2.88Å; R62-E132 PolarHBondContact O-N 2.92Å; I64-E132 HydrophobicContact CD1-CB 4.06Å; I64-E132 HydrophobicContact CD1-CG 4.01Å; I64-E132 WeakPolarHBondContact CD1-OE2 3.37Å; I64-E132 HydrophobicContact CG1-CG 4.34Å; E132-V134 HydrophobicContact CG-CG1 4.13Å; E132-V134 WeakPolarHBondContact OE1-CG1 3.45Å
133	C	90	Very high	71.2	Confident	30 Å²	30	64 Å²	64	20%	0.203	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.5	175	-66.6	0	0	0	0	108.2	C55 H59 V60	C55-C133 WeakPolarHBondContact CA-SG 3.06Å; C55-C133 HydrophobicContact CB-CB 3.78Å; C55-C133 WeakPolarHBondContact CB-SG 3.26Å; C55-C133 WeakPolarHBondContact SG-CA 3.47Å; C55-C133 WeakPolarHBondContact SG-CB 3.34Å; C55-C133 CovalentContact SG-SG 2.04Å; C55-C133 PolarHBondContact SG-SG 3Å; H59-C133 HydrophobicContact CB-CB 3.97Å; H59-C133 PolarHBondContact CD2-O 2.84Å; V60-C133 WeakPolarHBondContact O-CA 3.46Å
134	V	87.1	Confident	69.2	Low	28 Å²	28	68.2 Å²	68.2	17%	0.17	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.8	179.6	-61.7	0	0	0	0	110.5	H59 V60 R62 E132	H59-V134 CarbonylContact C-O 3.6Å; H59-V134 WeakPolarHBondContact CA-O 3.39Å; H59-V134 WeakPolarHBondContact CB-O 3.37Å; V60-V134 HydrophobicContact CG2-CG2 3.73Å; V60-V134 PolarHBondContact N-O 3.17Å; V60-V134 PolarHBondContact O-N 2.97Å; R62-V134 HydrophobicContact CB-CG1 4.19Å; R62-V134 HydrophobicContact CB-CG2 4.32Å; E132-V134 HydrophobicContact CG-CG1 4.13Å; E132-V134 WeakPolarHBondContact OE1-CG1 3.45Å
135	D	82.9	Confident	66.7	Low	80 Å²	80	73.2 Å²	73.2	43%	0.428	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.2	174.5	-87.5	-50.7	0	0	0	111	H59 S137	H59-D135 IonicContact CE1-OD1 3.57Å; H59-D135 PolarHBondContact CE1-OD1 3.4Å; H59-D135 IonicContact ND1-OD1 3.59Å; H59-D135 PolarHBondContact ND1-OD1 3.11Å; H59-D135 IonicContact NE2-OD1 3.15Å; D135-S137 PolarHBondContact O-N 3.26Å
136	Q	66.7	Low	63.9	Low	135 Å²	135	80.3 Å²	80.3	63%	0.631	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	9.5	-176.5	-80.3	179.2	-32.6	0	0	116	K58 V60	K58-Q136 WeakPolarHBondContact O-CG 3.29Å; K58-Q136 PolarHBondContact O-N 3.34Å; K58-Q136 VanDerWaalsContact O-N 3.1Å; V60-Q136 HydrophobicContact CG1-CG 3.68Å; V60-Q136 HydrophobicContact CG2-CG 4.43Å
137	S	56.4	Low	60.8	Low	102 Å²	102	86 Å²	86	71%	0.713	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	6.4	-168.3	54.5	0	0	0	0	116	D135	D135-S137 PolarHBondContact O-N 3.26Å
138	E	40.8	Very low	57.8	Low	152 Å²	152	93.8 Å²	93.8	71%	0.71	51%	0.509	S	S	*	.			trans	-101.1	119.3	174.4	-71.9	-169.6	148.9	0	0	112.1
139	P	38.3	Very low	54.7	Low	114 Å²	114	98.4 Å²	98.4	74%	0.74	54%	0.539	S	S	*	.			trans	-68.8	147.5	165.9	-13.7	29.3	0	0	0	111.1	D141	P139-D141 PolarHBondContact O-N 3.2Å
140	V	33.1	Very low	51.6	Low	130 Å²	130	104.6 Å²	104.6	79%	0.788	58%	0.577	S	S	*	*			trans	-77.9	104	177.1	179.2	0	0	0	0	110.1	L142	V140-L142 HydrophobicContact CG1-CD1 3.83Å
141	D	35.1	Very low	48.8	Very low	160 Å²	160	109 Å²	109	86%	0.856	61%	0.613	S	S	*	*			trans	-106.7	114.9	163.6	-93.5	-38.6	0	0	0	110.7	P139	P139-D141 PolarHBondContact O-N 3.2Å
142	L	33.4	Very low	45.9	Very low	148 Å²	148	116.4 Å²	116.4	78%	0.775	65%	0.648	S	S	*	*			trans	-83	127.1	167.4	-70.6	89.6	0	0	0	109.2	V140	V140-L142 HydrophobicContact CG1-CD1 3.83Å
143	S	34.5	Very low	43.1	Very low	106 Å²	106	119.2 Å²	119.2	74%	0.741	68%	0.676	S	S	*	*				151	156.8	128	62.7	0	0	0	0	113.4
144	S	34.5	Very low	40.3	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	70%	0.701	S	S	*	*			trans	65.4	97.6	155.4	-37.1	0	0	0	0	116.3
145	E	31.8	Very low	37.9	Very low	174 Å²	174	130.5 Å²	130.5	81%	0.813	73%	0.733	S	S	*	*				77.4	114.8	60.9	-160	164.5	-150.8	0	0	114.1
146	E	30.4	Very low	35.5	Very low	156 Å²	156	132.5 Å²	132.5	73%	0.729	75%	0.748	S	S	*	*			trans	66.1	116.6	154.5	-71.7	-160.9	149.2	0	0	124.4
147	I	27.5	Very low	33.9	Very low	121 Å²	121	130.4 Å²	130.4	62%	0.621	75%	0.754	S	S	*	*				87.5	134.8	119.6	-69.9	176.1	0	0	0	121.8
148	H	29.5	Very low	32.6	Very low	165 Å²	165	134 Å²	134	76%	0.764	76%	0.757	S	S	*	*			trans	99	115.1	147.6	-86.9	-26.2	0	0	0	124.8
149	T	27.2	Very low	32.3	Very low	114 Å²	114	133.2 Å²	133.2	70%	0.699	76%	0.762	S	S	*	*			trans	79	114.7	131.6	44.2	0	0	0	0	124.7
150	T	28.3	Very low	32.1	Very low	130 Å²	130	134.1 Å²	134.1	80%	0.798	76%	0.761	S	S	*	*				43.3	114.4	127.6	14.5	0	0	0	0	123.4
151	A	33.2	Very low	31.9	Very low	92 Å²	92	132.4 Å²	132.4	76%	0.76	76%	0.76	S	S	*	*				-167.2	133.8	125.9	0	0	0	0	0	106
152	Q	30.9	Very low	31.7	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	76%	0.759	S	S	*	*			cis	82.3	145.5	38	-158.2	173.2	-2.7	0	0	114
153	A	33.6	Very low	31.6	Very low	87 Å²	87	129.6 Å²	129.6	72%	0.719	76%	0.757	S	S	*	*			trans	80.8	139.6	-167	0	0	0	0	0	115.1
154	D	32	Very low	31.5	Very low	136 Å²	136	131.3 Å²	131.3	73%	0.727	76%	0.764	S	S	*	*			cis	149.7	126	-21.9	-92.9	-40.7	0	0	0	105.7
155	D	36.1	Very low	31.1	Very low	158 Å²	158	132.5 Å²	132.5	85%	0.845	77%	0.767	S	S	*	*			trans	161.1	149.6	151.9	-93.5	-26.5	0	0	0	109.9
156	V	32.5	Very low	31.2	Very low	122 Å²	122	130 Å²	130	74%	0.739	77%	0.769	S	S	*	*			cis	164.4	145.7	-38.6	149	0	0	0	0	106.7
157	A	32.7	Very low	31.3	Very low	91 Å²	91	131.4 Å²	131.4	75%	0.752	78%	0.775	S	S	*	*			trans	68.5	132.7	171	0	0	0	0	0	118.2
158	K	29.3	Very low	31.4	Very low	177 Å²	177	131.6 Å²	131.6	77%	0.77	78%	0.784	S	S	*	*			cis	103.5	106.6	20.7	-175.9	-157.7	173.2	-169.7	0	113.6
159	V	34.4	Very low	31.6	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	79%	0.791	S	S	*	*			trans	-164.4	142.6	153.8	178.8	0	0	0	0	105.2
160	D	35.1	Very low	31.6	Very low	133 Å²	133	133 Å²	133	71%	0.711	79%	0.791	S	S	*	*			cis	-171.4	168.8	-31.7	-96.8	-41.3	0	0	0	104.4
161	A	28.4	Very low	31.8	Very low	93 Å²	93	135 Å²	135	77%	0.769	80%	0.796	S	S	*	*			trans	-123.8	143.4	-175.8	0	0	0	0	0	112.9
162	T	30.7	Very low	31.5	Very low	136 Å²	136	138.6 Å²	138.6	83%	0.834	80%	0.795	S	S	*	*			trans	-150.4	131.2	158.3	-44.5	0	0	0	0	111.1
163	P	30.9	Very low	31.5	Very low	113 Å²	113	139 Å²	139	73%	0.734	80%	0.797	S	S	*	*			trans	-97.6	165.1	173.5	38.3	-33.8	0	0	0	112.5
164	T	32	Very low	31.2	Very low	143 Å²	143	142.3 Å²	142.3	88%	0.877	80%	0.797	S	S	*	*			trans	-137.6	130.1	168.1	-51.6	0	0	0	0	112.1
165	T	27.6	Very low	31.2	Very low	127 Å²	127	145.1 Å²	145.1	78%	0.779	81%	0.806	S	S	*	*			trans	-93.8	145.7	179	-54.1	0	0	0	0	111.3
166	S	33.7	Very low	30.7	Very low	122 Å²	122	143.9 Å²	143.9	85%	0.853	80%	0.804	S	S	*	*			trans	-148.9	155.2	152.6	57.2	0	0	0	0	111.6
167	Q	31.1	Very low	30.6	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-101.3	163.8	-157.5	-73.7	169.3	-60	0	0	114.1
168	P	30.8	Very low	30.2	Very low	124 Å²	124	144.7 Å²	144.7	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.4	159.5	-176	36.1	-35.8	0	0	0	114
169	Q	32.3	Very low	30.2	Very low	197 Å²	197	143.8 Å²	143.8	92%	0.921	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-97.5	152	167.2	-84.5	-166.7	-102.8	0	0	113.1
170	V	28.9	Very low	29.9	Very low	113 Å²	113	145.9 Å²	145.9	69%	0.685	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-91.8	148.6	-179.5	171.3	0	0	0	0	110
171	D	31.8	Very low	29.7	Very low	170 Å²	170	145.4 Å²	145.4	91%	0.909	82%	0.816	S	S	*	*			trans	-145.5	150.9	143.1	-96	-41.7	0	0	0	111.7
172	K	27.2	Very low	29.8	Very low	168 Å²	168	147.6 Å²	147.6	73%	0.73	82%	0.82	S	S	*	*			trans	-105.4	153.2	-172.3	-69.5	175.2	172.5	-179.4	0	111.5
173	E	30.3	Very low	29.6	Very low	188 Å²	188	148.9 Å²	148.9	88%	0.879	81%	0.814	S	S	*	*			trans	-146	138.5	140.1	-134	173.9	136.7	0	0	111.5
174	Q	27.8	Very low	29.5	Very low	156 Å²	156	152.7 Å²	152.7	73%	0.729	82%	0.819	S	S	*	*			trans	-118.3	137.1	178.2	-71.6	173.5	-92.3	0	0	108.7
175	Q	31.5	Very low	29.1	Very low	194 Å²	194	151.7 Å²	151.7	91%	0.907	81%	0.813	S	S	*	*			trans	-130.8	129.5	163.1	-100.2	-177.3	1.6	0	0	111.1
176	T	26	Very low	29.1	Very low	132 Å²	132	156.4 Å²	156.4	81%	0.81	82%	0.817	S	S	*	*			trans	-112.8	130.5	-173.3	-29.7	0	0	0	0	108.8
177	V	29.9	Very low	28.7	Very low	136 Å²	136	156.6 Å²	156.6	82%	0.824	81%	0.813	S	S	*	*			trans	-134.5	125.3	166.4	-178.6	0	0	0	0	108.3
178	A	23.7	Very low	28.3	Very low	94 Å²	94	158.2 Å²	158.2	78%	0.777	81%	0.811	S	S	*	*			trans	-107.8	140.3	-179.1	0	0	0	0	0	110.9
179	I	30.7	Very low	28.2	Very low	158 Å²	158	157.9 Å²	157.9	81%	0.81	81%	0.809	S	S	*	*			trans	-138.6	131.4	167.9	-58.8	-177.1	0	0	0	108.7
180	H	27.5	Very low	28	Very low	182 Å²	182	157.9 Å²	157.9	84%	0.843	81%	0.806	S	S	*	*			trans	-76.6	149.6	179.4	-70.9	-87.3	0	0	0	113.3
181	P	30.7	Very low	27.9	Very low	123 Å²	123	160.2 Å²	160.2	80%	0.799	81%	0.814	S	S	*	*			trans	-106.2	134.1	154.6	34.4	-26	0	0	0	112.2
182	T	29.8	Very low	27.8	Very low	139 Å²	139	157.3 Å²	157.3	85%	0.853	80%	0.803	S	S	*	*			trans	-92.3	129.9	176.5	45.1	0	0	0	0	112.4
183	K	26.6	Very low	27.8	Very low	162 Å²	162	155.2 Å²	155.2	70%	0.704	80%	0.804	S	S	*	*			trans	-67	140.4	175.4	-69.9	177.6	174.5	173.9	0	113	D501	K183-D501 WeakPolarHBondContact CE-OD2 3.21Å; K183-D501 IonicContact NZ-OD2 3.76Å; K183-D501 PolarHBondContact NZ-OD2 3.34Å
184	K	28.8	Very low	27.7	Very low	193 Å²	193	153.9 Å²	153.9	84%	0.839	80%	0.803	S	S	*	*			trans	-137.9	124.8	154.4	-86.5	-169.4	176.5	178.4	0	111.1
185	T	24.2	Very low	27.7	Very low	123 Å²	123	154.6 Å²	154.6	76%	0.755	81%	0.81	S	S	*	*			trans	-88.6	135.1	-178.1	-39.4	0	0	0	0	110.9
186	W	26.9	Very low	27.5	Very low	226 Å²	226	149.9 Å²	149.9	86%	0.856	80%	0.804	S	S	*	*			trans	-142	150.2	162	-71.5	107.7	0	0	0	111.4
187	T	26.2	Very low	27.7	Very low	125 Å²	125	152.8 Å²	152.8	77%	0.767	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-103.7	138.7	-165.6	47.5	0	0	0	0	112.7
188	W	23.5	Very low	27.6	Very low	219 Å²	219	151.1 Å²	151.1	83%	0.83	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-87.7	139.8	174.8	-65.4	102.1	0	0	0	113.2
189	P	28.5	Very low	27.9	Very low	117 Å²	117	152.4 Å²	152.4	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-91.9	153.1	156.4	7.5	12	0	0	0	111.8
190	F	26.8	Very low	27.6	Very low	197 Å²	197	152.6 Å²	152.6	86%	0.864	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.2	144.6	179.7	-68	-106.3	0	0	0	113.1
191	L	27.8	Very low	27.9	Very low	162 Å²	162	149.5 Å²	149.5	85%	0.848	79%	0.794	S	S	*	*			trans	-160.2	93.8	154.6	-133.9	71	0	0	0	107.7
192	T	29.3	Very low	27.9	Very low	110 Å²	110	152.3 Å²	152.3	68%	0.675	80%	0.797	S	S	*	*				46.8	109.1	97	64.1	0	0	0	0	115.6
193	T	28	Very low	27.8	Very low	124 Å²	124	152 Å²	152	76%	0.761	80%	0.795	S	S	*	*			trans	14.7	110.2	142.2	51.4	0	0	0	0	117.8
194	D	26.8	Very low	28.2	Very low	159 Å²	159	149.9 Å²	149.9	85%	0.85	80%	0.797	S	S	*	*			trans	169.2	85.2	130.7	-84.7	-17.6	0	0	0	110.3
195	I	28.8	Very low	28.5	Very low	172 Å²	172	146.6 Å²	146.6	88%	0.882	80%	0.796	S	S	*	*			trans	-132.3	77.1	168.2	-53.2	-178.6	0	0	0	108.6
196	A	27.9	Very low	28.8	Very low	94 Å²	94	148.7 Å²	148.7	78%	0.777	80%	0.801	S	S	*	*	S	Bend	trans	-149.6	51.1	172.1	0	0	0	0	0	110.9
197	K	29.3	Very low	29.2	Very low	194 Å²	194	145.9 Å²	145.9	84%	0.843	80%	0.802	S	S	*	*	S	Bend	trans	-177.9	145.9	158.3	-103.2	150.9	-172.5	176.8	0	112.1
198	S	27.3	Very low	29.5	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	80%	0.804	S	S	*	*			trans	46.5	101	162.2	58.4	0	0	0	0	118.2
199	V	30.7	Very low	30.1	Very low	122 Å²	122	146.6 Å²	146.6	74%	0.739	81%	0.806	S	S	*	*			trans	-126.3	90.5	152.5	175.5	0	0	0	0	107.1	V201	V199-V201 HydrophobicContact CG1-CB 4.2Å; V199-V201 HydrophobicContact CG1-CG2 3.41Å; V199-V201 VanDerWaalsContact CG1-CG2 3.41Å; V199-V201 PolarHBondContact O-N 2.96Å
200	D	24.8	Very low	30.1	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	81%	0.81	S	S	*	*			trans	-73.7	105.5	165.8	-63.7	-59.7	0	0	0	107.5
201	V	32.4	Very low	30.4	Very low	117 Å²	117	143.9 Å²	143.9	71%	0.709	81%	0.808	S	S	*	*			trans	-126.7	134	176.8	164.4	0	0	0	0	110.9	V199	V199-V201 HydrophobicContact CG1-CB 4.2Å; V199-V201 HydrophobicContact CG1-CG2 3.41Å; V199-V201 VanDerWaalsContact CG1-CG2 3.41Å; V199-V201 PolarHBondContact O-N 2.96Å
202	E	31.4	Very low	30.7	Very low	182 Å²	182	143.2 Å²	143.2	85%	0.85	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-51.6	140.8	-161.6	-70.5	153.4	114.4	0	0	117
203	T	28.5	Very low	30.9	Very low	133 Å²	133	146.7 Å²	146.7	82%	0.816	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-58.7	131.1	164	23.4	0	0	0	0	111.5
204	P	34.4	Very low	31.4	Very low	117 Å²	117	148.9 Å²	148.9	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.5	143.7	164.4	-13.6	27.8	0	0	0	110.1
205	P	35	Very low	32	Very low	124 Å²	124	147.9 Å²	147.9	81%	0.805	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.2	147.9	-177.6	28.8	-34.9	0	0	0	112.4	L207	P205-L207 PolarHBondContact O-N 2.92Å
206	L	31.5	Very low	32.5	Very low	166 Å²	166	146.8 Å²	146.8	87%	0.869	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-47.2	122.9	173.8	-74.7	149.8	0	0	0	112.5
207	L	33.9	Very low	33	Very low	167 Å²	167	149 Å²	149	87%	0.874	80%	0.798	S	S	*	*			trans	-96.1	95.7	155.9	-112.3	163.8	0	0	0	108	P205 Q209	P205-L207 PolarHBondContact O-N 2.92Å; L207-Q209 PolarHBondContact O-N 3.44Å; L207-Q209 VanDerWaalsContact O-N 3.16Å
208	E	32.4	Very low	33.7	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	79%	0.786	S	S	*	*			trans	-61.3	111.9	174.2	-68.7	-175.7	118.8	0	0	111.1
209	Q	36.4	Very low	34.9	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	79%	0.787	S	S	*	*			trans	-134.1	106.8	146.4	-71.2	-163.8	-14	0	0	108.3	L207 Q211	L207-Q209 PolarHBondContact O-N 3.44Å; L207-Q209 VanDerWaalsContact O-N 3.16Å; Q209-Q211 PolarHBondContact O-N 2.85Å
210	G	28.1	Very low	36.5	Very low	81 Å²	81	146.6 Å²	146.6	84%	0.835	78%	0.782	S	S	*	*			trans	-69.4	117.8	-165.7	0	0	0	0	0	113.8
211	Q	33.7	Very low	39.3	Very low	176 Å²	176	143 Å²	143	82%	0.822	76%	0.763	S	S	*	*			trans	-98.8	114.3	146.2	-78.6	-174.3	-49.8	0	0	108.5	Q209 F213	Q209-Q211 PolarHBondContact O-N 2.85Å; Q211-F213 VanDerWaalsContact C-N 3.28Å; Q211-F213 PolarHBondContact O-N 3.31Å
212	I	33.3	Very low	42	Very low	147 Å²	147	141.9 Å²	141.9	75%	0.754	75%	0.746	S	S	*	*			trans	-69.7	90.9	169.1	-58.8	170.1	0	0	0	106.6	F214	I212-F214 PolarHBondContact O-N 2.82Å
213	F	35.4	Very low	44.8	Very low	184 Å²	184	133.2 Å²	133.2	81%	0.807	71%	0.706	S	S	*	*			trans	-75.6	113.4	169.2	-129.9	-90.6	0	0	0	107.8	Q211 V215	Q211-F213 VanDerWaalsContact C-N 3.28Å; Q211-F213 PolarHBondContact O-N 3.31Å; F213-V215 PolarHBondContact O-N 2.05Å
214	F	37.4	Very low	47.7	Very low	170 Å²	170	130.6 Å²	130.6	75%	0.746	69%	0.692	S	S	*	*			trans	-64.9	108.6	175.8	-70.7	-91.4	0	0	0	108.5	I212 H216	I212-F214 PolarHBondContact O-N 2.82Å; F214-H216 VanDerWaalsContact C-N 3.33Å; F214-H216 PolarHBondContact O-N 3.14Å
215	V	39	Very low	50.4	Low	137 Å²	137	132.3 Å²	132.3	83%	0.83	69%	0.691	S	S	*	*			trans	-64.6	98.8	167.6	179.2	0	0	0	0	107	F213 D217	F213-V215 PolarHBondContact O-N 2.05Å; V215-D217 PolarHBondContact O-N 2.89Å; V215-D217 VanDerWaalsContact O-N 3.11Å
216	H	39.6	Very low	52.8	Low	150 Å²	150	128.2 Å²	128.2	69%	0.694	67%	0.668	S	S	*	*			trans	-72.8	99.8	167.5	-108.9	-68.1	0	0	0	107.5	F214 N218	F214-H216 VanDerWaalsContact C-N 3.33Å; F214-H216 PolarHBondContact O-N 3.14Å; H216-N218 PolarHBondContact O-N 2.82Å
217	D	39.6	Very low	55.4	Low	141 Å²	141	126 Å²	126	75%	0.754	65%	0.653	S	S	*	*			trans	-71.4	72.7	170.9	-167.4	15.9	0	0	0	109.6	V215	V215-D217 PolarHBondContact O-N 2.89Å; V215-D217 VanDerWaalsContact O-N 3.11Å
218	N	43.8	Very low	57.6	Low	111 Å²	111	121.7 Å²	121.7	59%	0.594	63%	0.628	S	S	*	*			trans	-109.7	121.1	169.2	-94.1	-18.8	0	0	0	107.9	H216 D220	H216-N218 PolarHBondContact O-N 2.82Å; N218-D220 PolarHBondContact O-N 2.92Å
219	N	51.8	Low	59.7	Low	136 Å²	136	117 Å²	117	73%	0.727	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	26.8	-154.5	-145.6	-9.9	0	0	0	115.1
220	D	64.9	Low	61.8	Low	117 Å²	117	110 Å²	110	63%	0.626	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.3	23.4	-163	-98.7	-48.2	0	0	0	115.4	N218 Y222	N218-D220 PolarHBondContact O-N 2.92Å; D220-Y222 WeakPolarHBondContact O-CD2 3.3Å; D220-Y222 PolarHBondContact O-N 3.17Å
221	D	82	Confident	64.5	Low	87 Å²	87	106.4 Å²	106.4	47%	0.465	54%	0.543	S	S	.	.			trans	-80.6	110.5	178.1	-74.6	-19.2	0	0	0	112.6	A238 A262	D221-A238 HydrophobicContact CB-CB 4.08Å; D221-A238 WeakPolarHBondContact O-CB 3.28Å; D221-A238 PolarHBondContact O-N 3.31Å; D221-A262 HydrophobicContact CB-CB 4.2Å
222	Y	89.8	Confident	67.1	Low	93 Å²	93	105 Å²	105	37%	0.365	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.4	-180	-69.5	-102	0	0	0	111.6	D220 R235 T236 K237	D220-Y222 WeakPolarHBondContact O-CD2 3.3Å; D220-Y222 PolarHBondContact O-N 3.17Å; Y222-R235 HydrophobicContact CD1-CG 4.02Å; Y222-R235 HydrophobicContact CG-CG 4.2Å; Y222-T236 CarbonylContact C-O 3.59Å; Y222-T236 WeakPolarHBondContact CA-O 3.37Å; Y222-T236 WeakPolarHBondContact CB-O 3.04Å; Y222-K237 HydrophobicContact CD1-CB 4.15Å; Y222-K237 HydrophobicContact CE1-CB 3.99Å
223	C	90.2	Very high	69.9	Low	0 Å²	0	98.2 Å²	98.2	0%	0	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	137.5	163.6	-65	0	0	0	0	110.8	R235 T236 C258 A262 Q263 W264	C223-R235 WeakPolarHBondContact O-CA 3.41Å; C223-T236 PolarHBondContact N-O 3.02Å; C223-T236 PolarHBondContact O-N 2.8Å; C223-C258 HydrophobicContact CB-CB 3.96Å; C223-C258 WeakPolarHBondContact CB-SG 3.49Å; C223-C258 PolarHBondContact N-SG 3.33Å; C223-C258 WeakPolarHBondContact SG-CA 3.39Å; C223-C258 WeakPolarHBondContact SG-CB 3.46Å; C223-C258 CovalentContact SG-SG 2.03Å; C223-C258 PolarHBondContact SG-SG 2.83Å; C223-A262 WeakPolarHBondContact CA-O 3.4Å; C223-A262 PolarHBondContact SG-O 3.48Å; C223-Q263 PolarHBondContact SG-O 3.47Å; C223-Q263 VanDerWaalsContact SG-O 3.42Å; C223-W264 HydrophobicContact CB-CD2 3.76Å; C223-W264 VanDerWaalsContact CB-CE2 3.42Å; C223-W264 HydrophobicContact CB-CE3 4.26Å; C223-W264 HydrophobicContact CB-CG 4.18Å; C223-W264 HydrophobicContact CB-CH2 4.19Å; C223-W264 HydrophobicContact CB-CZ2 3.66Å; C223-W264 HydrophobicContact CB-CZ3 4.47Å
224	P	89.7	Confident	72.6	Confident	79 Å²	79	92 Å²	92	51%	0.513	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-70.5	162.8	-177	29.9	-36.1	0	0	0	112.1	A226 W264	P224-A226 PolarHBondContact O-N 3.46Å; P224-W264 PolarHBondContact O-NE1 2.77Å
225	M	90.3	Very high	75.1	Confident	152 Å²	152	90.8 Å²	90.8	75%	0.749	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-65.5	134.6	166.5	-69.4	179.5	178.8	0	0	109.9	L233 R235	M225-L233 WeakPolarHBondContact CA-O 3.3Å; M225-R235 HydrophobicContact CE-CB 4.06Å; M225-R235 HydrophobicContact CG-CB 3.94Å
226	A	86.7	Confident	77.6	Confident	39 Å²	39	84.9 Å²	84.9	32%	0.322	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166	179.8	0	0	0	0	0	110.8	P224 L233	P224-A226 PolarHBondContact O-N 3.46Å; A226-L233 HydrophobicContact CB-CB 4.17Å; A226-L233 HydrophobicContact CB-CD1 3.86Å; A226-L233 PolarHBondContact N-O 2.64Å; A226-L233 VanDerWaalsContact N-O 3.1Å; A226-L233 WeakPolarHBondContact O-CB 3.45Å; A226-L233 PolarHBondContact O-N 2.89Å
227	E	85.5	Confident	80	Confident	120 Å²	120	83.4 Å²	83.4	56%	0.561	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	109	171.1	-173.9	167.9	167.8	0	0	108.1	V231 K232	E227-V231 WeakPolarHBondContact CA-O 3.23Å; E227-K232 HydrophobicContact CG-CG 3.99Å; E227-K232 WeakPolarHBondContact OE2-CE 3.43Å
228	E	80.8	Confident	82.4	Confident	75 Å²	75	77.7 Å²	77.7	35%	0.35	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.5	-172.7	-175.1	55.4	-129.3	0	0	108.9	G230 V231 L233 L266 L269	E228-G230 PolarHBondContact O-N 3.47Å; E228-V231 PolarHBondContact N-O 3.02Å; E228-V231 WeakPolarHBondContact O-CB 3.44Å; E228-V231 PolarHBondContact O-N 2.83Å; E228-L233 HydrophobicContact CB-CD1 4.06Å; E228-L266 HydrophobicContact CB-CD2 4.11Å; E228-L266 HydrophobicContact CG-CD1 4.2Å; E228-L266 HydrophobicContact CG-CD2 4.06Å; E228-L269 HydrophobicContact CB-CD2 3.84Å; E228-L269 HydrophobicContact CG-CD2 3.68Å
229	R	76.3	Confident	84.5	Confident	77 Å²	77	73.7 Å²	73.7	29%	0.291	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	24.3	-174.5	-53.5	172.2	-166	-173.4	0.2	115	L269 I271	R229-L269 HydrophobicContact CG-CD2 4.5Å; R229-L269 PolarHBondContact NH1-O 3.41Å; R229-I271 HydrophobicContact CB-CD1 3.64Å; R229-I271 HydrophobicContact CG-CD1 4.35Å
230	G	79.2	Confident	86.4	Confident	39 Å²	39	69.9 Å²	69.9	40%	0.402	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	1.9	-176.2	0	0	0	0	0	115.1	E228	E228-G230 PolarHBondContact O-N 3.47Å
231	V	85.5	Confident	87.6	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.024	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.9	172	-178.3	0	0	0	0	108.8	E227 E228 L233 L244 P247 V254 I271	E227-V231 WeakPolarHBondContact CA-O 3.23Å; E228-V231 PolarHBondContact N-O 3.02Å; E228-V231 WeakPolarHBondContact O-CB 3.44Å; E228-V231 PolarHBondContact O-N 2.83Å; V231-L233 HydrophobicContact CG1-CD2 4.47Å; V231-L233 PolarHBondContact O-N 3.1Å; V231-L244 HydrophobicContact CG1-CB 4.04Å; V231-L244 HydrophobicContact CG1-CD1 3.66Å; V231-L244 HydrophobicContact CG1-CG 4.5Å; V231-P247 HydrophobicContact CG2-CG 3.72Å; V231-V254 HydrophobicContact CG2-CG1 4.38Å; V231-V254 HydrophobicContact CG2-CG2 4.06Å; V231-I271 HydrophobicContact CG2-CG2 3.96Å
232	K	89.2	Confident	88	Confident	147 Å²	147	65.6 Å²	65.6	64%	0.639	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	111.5	177.8	-68.1	-178.6	179	-179.6	0	110.1	E227 P234	E227-K232 HydrophobicContact CG-CG 3.99Å; E227-K232 WeakPolarHBondContact OE2-CE 3.43Å; K232-P234 WeakPolarHBondContact O-CD 3.45Å
233	L	90.5	Very high	87.9	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	110.6	-178.5	-60.9	167.1	0	0	0	109.1	M225 A226 E228 V231 L244 V256 W264 L266 L269	M225-L233 WeakPolarHBondContact CA-O 3.3Å; A226-L233 HydrophobicContact CB-CB 4.17Å; A226-L233 HydrophobicContact CB-CD1 3.86Å; A226-L233 PolarHBondContact N-O 2.64Å; A226-L233 VanDerWaalsContact N-O 3.1Å; A226-L233 WeakPolarHBondContact O-CB 3.45Å; A226-L233 PolarHBondContact O-N 2.89Å; E228-L233 HydrophobicContact CB-CD1 4.06Å; V231-L233 HydrophobicContact CG1-CD2 4.47Å; V231-L233 PolarHBondContact O-N 3.1Å; L233-L244 HydrophobicContact CD2-CD1 3.68Å; L233-V256 HydrophobicContact CD2-CB 4.5Å; L233-V256 HydrophobicContact CD2-CG1 3.68Å; L233-V256 HydrophobicContact CD2-CG2 4.33Å; L233-W264 HydrophobicContact CB-CH2 4.41Å; L233-W264 HydrophobicContact CB-CZ2 3.8Å; L233-W264 HydrophobicContact CD1-CD2 4.27Å; L233-W264 HydrophobicContact CD1-CG 4.25Å; L233-W264 HydrophobicContact CD2-CZ3 4.5Å; L233-L266 HydrophobicContact CD1-CD2 3.58Å; L233-L269 HydrophobicContact CD2-CD1 4.49Å
234	P	92.2	Very high	87.9	Confident	55 Å²	55	67.6 Å²	67.6	36%	0.357	35%	0.352	S	S	.	.			trans	-75.9	154.9	178.3	32.2	-34.8	0	0	0	111.3	K232 T236 L242 L244 W264	K232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-T236 WeakPolarHBondContact O-CB 3.48Å; P234-T236 PolarHBondContact O-N 2.81Å; P234-T236 VanDerWaalsContact O-N 3.15Å; P234-T236 PolarHBondContact O-OG1 2.9Å; P234-L242 HydrophobicContact CG-CD1 3.94Å; P234-L244 HydrophobicContact CG-CD2 4.39Å; P234-W264 VanDerWaalsContact O-CZ2 3.27Å; P234-W264 WeakPolarHBondContact O-CZ2 3.31Å
235	R	91.6	Very high	87.9	Confident	143 Å²	143	68.4 Å²	68.4	54%	0.54	36%	0.358	S	S	.	.			trans	-57.5	121.8	174.3	-179.8	179.1	173.4	179.8	-3.1	109.7	Y222 C223 M225	Y222-R235 HydrophobicContact CD1-CG 4.02Å; Y222-R235 HydrophobicContact CG-CG 4.2Å; C223-R235 WeakPolarHBondContact O-CA 3.41Å; M225-R235 HydrophobicContact CE-CB 4.06Å; M225-R235 HydrophobicContact CG-CB 3.94Å
236	T	90.3	Very high	87.8	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.08	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.9	-164.5	-65.8	0	0	0	0	111	Y222 C223 P234 T240 L242 C258 W264	Y222-T236 CarbonylContact C-O 3.59Å; Y222-T236 WeakPolarHBondContact CA-O 3.37Å; Y222-T236 WeakPolarHBondContact CB-O 3.04Å; C223-T236 PolarHBondContact N-O 3.02Å; C223-T236 PolarHBondContact O-N 2.8Å; P234-T236 WeakPolarHBondContact O-CB 3.48Å; P234-T236 PolarHBondContact O-N 2.81Å; P234-T236 VanDerWaalsContact O-N 3.15Å; P234-T236 PolarHBondContact O-OG1 2.9Å; T236-T240 HydrophobicContact CG2-CG2 4.01Å; T236-L242 HydrophobicContact CG2-CD1 4.16Å; T236-L242 HydrophobicContact CG2-CD2 3.99Å; T236-L242 HydrophobicContact CG2-CG 4.01Å; T236-L242 WeakPolarHBondContact OG1-CD1 3.32Å; T236-C258 HydrophobicContact CG2-CB 4.11Å; T236-W264 HydrophobicContact CG2-CH2 4.14Å
237	K	90.4	Very high	87.7	Confident	119 Å²	119	60 Å²	60	52%	0.517	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.7	-175.4	-173.5	175.2	179.5	174.1	0	111.4	Y222 G239 T240	Y222-K237 HydrophobicContact CD1-CB 4.15Å; Y222-K237 HydrophobicContact CE1-CB 3.99Å; K237-G239 PolarHBondContact O-N 2.94Å; K237-T240 VanDerWaalsContact O-CB 3.26Å; K237-T240 WeakPolarHBondContact O-CB 3.49Å; K237-T240 PolarHBondContact O-N 3.4Å; K237-T240 VanDerWaalsContact O-N 3.16Å; K237-T240 PolarHBondContact O-OG1 2.79Å
238	A	90.7	Very high	87.7	Confident	22 Å²	22	60.5 Å²	60.5	18%	0.182	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	136.8	173.8	0	0	0	0	0	112.6	D221 C258 G259 A262	D221-A238 HydrophobicContact CB-CB 4.08Å; D221-A238 WeakPolarHBondContact O-CB 3.28Å; D221-A238 PolarHBondContact O-N 3.31Å; A238-C258 VanDerWaalsContact CA-SG 3.58Å; A238-G259 WeakPolarHBondContact CA-O 3.26Å; A238-G259 WeakPolarHBondContact CB-O 2.98Å; A238-A262 HydrophobicContact CB-CB 4.49Å
239	G	87.8	Confident	87.6	Confident	27 Å²	27	63.8 Å²	63.8	28%	0.278	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-10.4	-176.5	0	0	0	0	0	116.4	K237 Q257 C258 G259	K237-G239 PolarHBondContact O-N 2.94Å; G239-Q257 PolarHBondContact O-NE2 2.84Å; G239-C258 CarbonylContact C-O 3.51Å; G239-C258 WeakPolarHBondContact CA-O 3.49Å; G239-C258 PolarHBondContact N-O 3.44Å; G239-G259 PolarHBondContact N-O 3.09Å
240	T	91	Very high	88	Confident	55 Å²	55	60.8 Å²	60.8	34%	0.337	33%	0.329	S	S	.	.			trans	-78.9	131.5	-175	-47.1	0	0	0	0	112.2	T236 K237 L242 C258	T236-T240 HydrophobicContact CG2-CG2 4.01Å; K237-T240 VanDerWaalsContact O-CB 3.26Å; K237-T240 WeakPolarHBondContact O-CB 3.49Å; K237-T240 PolarHBondContact O-N 3.4Å; K237-T240 VanDerWaalsContact O-N 3.16Å; K237-T240 PolarHBondContact O-OG1 2.79Å; T240-L242 HydrophobicContact CG2-CD2 4.43Å; T240-C258 PolarHBondContact O-N 3.11Å
241	L	90.7	Very high	88.3	Confident	84 Å²	84	63.6 Å²	63.6	44%	0.44	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.4	164.7	-177.3	67.7	0	0	0	109.8	Q257	L241-Q257 HydrophobicContact CD1-CB 4.15Å
242	L	88.7	Confident	88.2	Confident	31 Å²	31	68.4 Å²	68.4	16%	0.162	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141	172.9	-66.3	-178.7	0	0	0	111.3	P234 T236 T240 L244 E255 V256 W264	P234-L242 HydrophobicContact CG-CD1 3.94Å; T236-L242 HydrophobicContact CG2-CD1 4.16Å; T236-L242 HydrophobicContact CG2-CD2 3.99Å; T236-L242 HydrophobicContact CG2-CG 4.01Å; T236-L242 WeakPolarHBondContact OG1-CD1 3.32Å; T240-L242 HydrophobicContact CG2-CD2 4.43Å; L242-L244 HydrophobicContact CB-CG 4.13Å; L242-L244 HydrophobicContact CD1-CD1 4.16Å; L242-L244 HydrophobicContact CD1-CD2 4.21Å; L242-L244 HydrophobicContact CD1-CG 4.32Å; L242-E255 WeakPolarHBondContact O-CA 3.28Å; L242-V256 HydrophobicContact CB-CG1 4.03Å; L242-V256 HydrophobicContact CD1-CG1 4.43Å; L242-V256 PolarHBondContact N-O 2.88Å; L242-V256 PolarHBondContact O-N 3.26Å; L242-W264 HydrophobicContact CD1-CH2 3.61Å; L242-W264 HydrophobicContact CD1-CZ3 4.01Å
243	H	89.5	Confident	88	Confident	114 Å²	114	67 Å²	67	53%	0.528	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.4	158.6	-52.3	-93.8	0	0	0	107.7	V254 E255	H243-V254 WeakPolarHBondContact CA-O 3.47Å; H243-E255 IonicContact CE1-OE1 3.4Å; H243-E255 PolarHBondContact CE1-OE1 3.32Å; H243-E255 IonicContact ND1-OE1 3.38Å; H243-E255 PolarHBondContact ND1-OE1 3.07Å
244	L	88.9	Confident	87.8	Confident	20 Å²	20	66.9 Å²	66.9	11%	0.105	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.6	-177.9	-66.2	173.4	0	0	0	110.1	V231 L233 P234 L242 H253 V254 V256	V231-L244 HydrophobicContact CG1-CB 4.04Å; V231-L244 HydrophobicContact CG1-CD1 3.66Å; V231-L244 HydrophobicContact CG1-CG 4.5Å; L233-L244 HydrophobicContact CD2-CD1 3.68Å; P234-L244 HydrophobicContact CG-CD2 4.39Å; L242-L244 HydrophobicContact CB-CG 4.13Å; L242-L244 HydrophobicContact CD1-CD1 4.16Å; L242-L244 HydrophobicContact CD1-CD2 4.21Å; L242-L244 HydrophobicContact CD1-CG 4.32Å; L244-H253 CarbonylContact O-C 3.58Å; L244-H253 WeakPolarHBondContact O-CA 3.34Å; L244-V254 PolarHBondContact N-O 3.38Å; L244-V254 PolarHBondContact O-N 2.94Å; L244-V256 HydrophobicContact CD1-CG1 3.92Å
245	P	89.6	Confident	87.6	Confident	97 Å²	97	69.1 Å²	69.1	63%	0.63	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	144	173.7	28.7	-34.5	0	0	0	110.3
246	C	89	Confident	87.5	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.027	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60	151.9	173.1	-77.3	0	0	0	0	112.2	A250 Y251 E252 C274	C246-A250 HydrophobicContact CB-CB 3.79Å; C246-Y251 PolarHBondContact SG-O 2.7Å; C246-E252 PolarHBondContact SG-O 3.27Å; C246-C274 HydrophobicContact CB-CB 3.69Å; C246-C274 WeakPolarHBondContact CB-SG 3.49Å; C246-C274 WeakPolarHBondContact SG-CA 3.5Å; C246-C274 WeakPolarHBondContact SG-CB 3.29Å; C246-C274 CovalentContact SG-SG 2.04Å; C246-C274 PolarHBondContact SG-SG 3.47Å
247	P	85.5	Confident	87.4	Confident	11 Å²	11	65 Å²	65	7%	0.071	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-58.7	154.2	-179.4	-22.6	34.1	0	0	0	112.5	V231 N249 A250 Y312	V231-P247 HydrophobicContact CG2-CG 3.72Å; P247-N249 PolarHBondContact O-N 3.41Å; P247-N249 VanDerWaalsContact O-N 3.09Å; P247-A250 WeakPolarHBondContact O-CB 3.42Å; P247-A250 PolarHBondContact O-N 2.69Å; P247-Y312 HydrophobicContact CB-CE1 4.15Å; P247-Y312 HydrophobicContact CG-CE1 4.17Å
248	N	84	Confident	87.5	Confident	129 Å²	129	59.3 Å²	59.3	69%	0.69	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	55	25.3	176.7	-63.2	-36.7	0	0	0	115.6	A250 Y312	N248-A250 PolarHBondContact O-N 3.45Å; N248-Y312 PolarHBondContact ND2-OH 3.21Å
249	N	79.3	Confident	87.3	Confident	145 Å²	145	58.4 Å²	58.4	78%	0.775	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	56.3	35.7	-173.1	-59.6	-13.2	0	0	0	113.3	P247	P247-N249 PolarHBondContact O-N 3.41Å; P247-N249 VanDerWaalsContact O-N 3.09Å
250	A	84.7	Confident	87.3	Confident	13 Å²	13	64.3 Å²	64.3	11%	0.107	33%	0.329	C	S	.	.			trans	-60.9	154.9	160.8	0	0	0	0	0	110.5	C246 P247 N248 C274 L275 Y312	C246-A250 HydrophobicContact CB-CB 3.79Å; P247-A250 WeakPolarHBondContact O-CB 3.42Å; P247-A250 PolarHBondContact O-N 2.69Å; N248-A250 PolarHBondContact O-N 3.45Å; A250-C274 HydrophobicContact CB-CB 4.46Å; A250-L275 WeakPolarHBondContact CA-O 3.11Å; A250-L275 WeakPolarHBondContact CB-O 3.39Å; A250-Y312 HydrophobicContact CB-CD2 4.36Å; A250-Y312 HydrophobicContact CB-CE2 4.22Å
251	Y	85.1	Confident	87.1	Confident	98 Å²	98	66.4 Å²	66.4	38%	0.384	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-71.1	164.1	174.3	-70	-80.7	0	0	0	111.2	C246 L275 K280	C246-Y251 PolarHBondContact SG-O 2.7Å; Y251-L275 PolarHBondContact N-O 3.03Å; Y251-L275 PolarHBondContact O-N 2.84Å; Y251-K280 HydrophobicContact CD1-CD 4.45Å; Y251-K280 HydrophobicContact CD2-CB 4.31Å; Y251-K280 HydrophobicContact CD2-CD 3.38Å; Y251-K280 HydrophobicContact CE1-CD 4.45Å; Y251-K280 HydrophobicContact CE2-CB 4.27Å; Y251-K280 HydrophobicContact CE2-CD 3.37Å; Y251-K280 HydrophobicContact CE2-CG 4.42Å; Y251-K280 HydrophobicContact CG-CD 3.95Å
252	E	83.9	Confident	86.9	Confident	106 Å²	106	63.3 Å²	63.3	50%	0.495	33%	0.325	S	S	.	.	S	Bend	trans	68.8	-176.7	-171.9	-59.4	-57.8	156.2	0	0	114.7	C246 H273	C246-E252 PolarHBondContact SG-O 3.27Å; E252-H273 HydrophobicContact CB-CB 4.48Å
253	H	84.8	Confident	86.9	Confident	117 Å²	117	68 Å²	68	54%	0.542	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.4	-168.1	-37.6	80.2	0	0	0	108.4	L244	L244-H253 CarbonylContact O-C 3.58Å; L244-H253 WeakPolarHBondContact O-CA 3.34Å
254	V	87.2	Confident	86.8	Confident	1 Å²	1	64 Å²	64	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.9	175.5	-176.1	0	0	0	0	108.3	V231 H243 L244 L269 I271 C274	V231-V254 HydrophobicContact CG2-CG1 4.38Å; V231-V254 HydrophobicContact CG2-CG2 4.06Å; H243-V254 WeakPolarHBondContact CA-O 3.47Å; L244-V254 PolarHBondContact N-O 3.38Å; L244-V254 PolarHBondContact O-N 2.94Å; V254-L269 HydrophobicContact CG1-CD1 3.44Å; V254-L269 VanDerWaalsContact CG1-CD1 3.44Å; V254-L269 HydrophobicContact CG1-CG 4.15Å; V254-I271 HydrophobicContact CB-CG2 4.35Å; V254-I271 HydrophobicContact CG1-CG2 3.64Å; V254-I271 HydrophobicContact CG2-CB 4.46Å; V254-I271 HydrophobicContact CG2-CG2 3.72Å; V254-C274 VanDerWaalsContact CG2-SG 3.52Å
255	E	86.8	Confident	86.6	Confident	103 Å²	103	66 Å²	66	48%	0.481	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.4	177.2	-57.2	-166.1	171.2	0	0	110.6	L242 H243	L242-E255 WeakPolarHBondContact O-CA 3.28Å; H243-E255 IonicContact CE1-OE1 3.4Å; H243-E255 PolarHBondContact CE1-OE1 3.32Å; H243-E255 IonicContact ND1-OE1 3.38Å; H243-E255 PolarHBondContact ND1-OE1 3.07Å
256	V	89.1	Confident	86.1	Confident	1 Å²	1	64 Å²	64	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	131.6	177.7	62.9	0	0	0	0	111.2	L233 L242 L244 W264 L269	L233-V256 HydrophobicContact CD2-CB 4.5Å; L233-V256 HydrophobicContact CD2-CG1 3.68Å; L233-V256 HydrophobicContact CD2-CG2 4.33Å; L242-V256 HydrophobicContact CB-CG1 4.03Å; L242-V256 HydrophobicContact CD1-CG1 4.43Å; L242-V256 PolarHBondContact N-O 2.88Å; L242-V256 PolarHBondContact O-N 3.26Å; L244-V256 HydrophobicContact CD1-CG1 3.92Å; V256-W264 HydrophobicContact CG1-CZ3 4.15Å; V256-W264 HydrophobicContact CG2-CE3 3.91Å; V256-W264 HydrophobicContact CG2-CZ3 4.33Å; V256-L269 HydrophobicContact CB-CD1 3.69Å; V256-L269 HydrophobicContact CG1-CD1 4.23Å; V256-L269 HydrophobicContact CG2-CD1 3.95Å
257	Q	89.2	Confident	85.1	Confident	68 Å²	68	68.7 Å²	68.7	32%	0.318	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.8	176.5	-168.2	165	24.8	0	0	111.5	G239 L241 Q265	G239-Q257 PolarHBondContact O-NE2 2.84Å; L241-Q257 HydrophobicContact CD1-CB 4.15Å; Q257-Q265 PolarHBondContact O-N 2.91Å
258	C	91.6	Very high	84.2	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-81.4	117.8	160.1	178.8	0	0	0	0	108	C223 T236 A238 G239 T240 W264	C223-C258 HydrophobicContact CB-CB 3.96Å; C223-C258 WeakPolarHBondContact CB-SG 3.49Å; C223-C258 PolarHBondContact N-SG 3.33Å; C223-C258 WeakPolarHBondContact SG-CA 3.39Å; C223-C258 WeakPolarHBondContact SG-CB 3.46Å; C223-C258 CovalentContact SG-SG 2.03Å; C223-C258 PolarHBondContact SG-SG 2.83Å; T236-C258 HydrophobicContact CG2-CB 4.11Å; A238-C258 VanDerWaalsContact CA-SG 3.58Å; G239-C258 CarbonylContact C-O 3.51Å; G239-C258 WeakPolarHBondContact CA-O 3.49Å; G239-C258 PolarHBondContact N-O 3.44Å; T240-C258 PolarHBondContact O-N 3.11Å; C258-W264 HydrophobicContact CB-CE3 4.13Å; C258-W264 HydrophobicContact CB-CH2 4.41Å; C258-W264 HydrophobicContact CB-CZ3 3.86Å
259	G	88.2	Confident	84	Confident	2 Å²	2	67.1 Å²	67.1	2%	0.021	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-63	164.4	-178.8	0	0	0	0	0	113.1	A238 G239 D261 A262 Q263	A238-G259 WeakPolarHBondContact CA-O 3.26Å; A238-G259 WeakPolarHBondContact CB-O 2.98Å; G239-G259 PolarHBondContact N-O 3.09Å; G259-D261 WeakPolarHBondContact CA-OD1 3.27Å; G259-D261 PolarHBondContact O-N 3.13Å; G259-A262 PolarHBondContact O-N 2.84Å; G259-Q263 PolarHBondContact N-O 3.45Å
260	L	87.3	Confident	83.8	Confident	151 Å²	151	62 Å²	62	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.9	173.9	-67.1	174.2	0	0	0	112.7	A262	L260-A262 VanDerWaalsContact C-N 3.3Å
261	D	87.3	Confident	83.6	Confident	99 Å²	99	61.3 Å²	61.3	53%	0.529	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	9.9	174	64.5	-20.4	0	0	0	113.4	G259 Q263	G259-D261 WeakPolarHBondContact CA-OD1 3.27Å; G259-D261 PolarHBondContact O-N 3.13Å; D261-Q263 PolarHBondContact O-N 2.92Å; D261-Q263 PolarHBondContact OD1-N 2.92Å
262	A	86.2	Confident	83.4	Confident	20 Å²	20	56.8 Å²	56.8	17%	0.165	30%	0.295	C	S	.	.	S	Bend	trans	57.8	24.4	-173.6	0	0	0	0	0	114.8	D221 C223 A238 G259 L260	D221-A262 HydrophobicContact CB-CB 4.2Å; C223-A262 WeakPolarHBondContact CA-O 3.4Å; C223-A262 PolarHBondContact SG-O 3.48Å; A238-A262 HydrophobicContact CB-CB 4.49Å; G259-A262 PolarHBondContact O-N 2.84Å; L260-A262 VanDerWaalsContact C-N 3.3Å
263	Q	88.3	Confident	83.4	Confident	129 Å²	129	56.9 Å²	56.9	60%	0.603	30%	0.296	S	S	*	.			trans	-106.9	147.1	172	-56.6	-161.6	9.8	0	0	111.9	C223 G259 D261	C223-Q263 PolarHBondContact SG-O 3.47Å; C223-Q263 VanDerWaalsContact SG-O 3.42Å; G259-Q263 PolarHBondContact N-O 3.45Å; D261-Q263 PolarHBondContact O-N 2.92Å; D261-Q263 PolarHBondContact OD1-N 2.92Å
264	W	87	Confident	83.6	Confident	29 Å²	29	51.3 Å²	51.3	11%	0.11	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-72.4	130.7	174.5	-72.7	116.6	0	0	0	111	C223 P224 L233 P234 T236 L242 V256 C258 L266	C223-W264 HydrophobicContact CB-CD2 3.76Å; C223-W264 VanDerWaalsContact CB-CE2 3.42Å; C223-W264 HydrophobicContact CB-CE3 4.26Å; C223-W264 HydrophobicContact CB-CG 4.18Å; C223-W264 HydrophobicContact CB-CH2 4.19Å; C223-W264 HydrophobicContact CB-CZ2 3.66Å; C223-W264 HydrophobicContact CB-CZ3 4.47Å; P224-W264 PolarHBondContact O-NE1 2.77Å; L233-W264 HydrophobicContact CB-CH2 4.41Å; L233-W264 HydrophobicContact CB-CZ2 3.8Å; L233-W264 HydrophobicContact CD1-CD2 4.27Å; L233-W264 HydrophobicContact CD1-CG 4.25Å; L233-W264 HydrophobicContact CD2-CZ3 4.5Å; P234-W264 VanDerWaalsContact O-CZ2 3.27Å; P234-W264 WeakPolarHBondContact O-CZ2 3.31Å; T236-W264 HydrophobicContact CG2-CH2 4.14Å; L242-W264 HydrophobicContact CD1-CH2 3.61Å; L242-W264 HydrophobicContact CD1-CZ3 4.01Å; V256-W264 HydrophobicContact CG1-CZ3 4.15Å; V256-W264 HydrophobicContact CG2-CE3 3.91Å; V256-W264 HydrophobicContact CG2-CZ3 4.33Å; C258-W264 HydrophobicContact CB-CE3 4.13Å; C258-W264 HydrophobicContact CB-CH2 4.41Å; C258-W264 HydrophobicContact CB-CZ3 3.86Å; W264-L266 HydrophobicContact CB-CD1 4.44Å; W264-L266 HydrophobicContact CB-CD2 3.52Å; W264-L266 HydrophobicContact CB-CG 3.64Å; W264-L266 HydrophobicContact CG-CD2 4.13Å; W264-L266 PolarHBondContact O-N 3.35Å
265	Q	85.7	Confident	83.7	Confident	64 Å²	64	52.5 Å²	52.5	30%	0.299	28%	0.276	S	S	.	.			trans	-78.8	59.1	171.6	-62.1	-171	-21.5	0	0	110.7	Q257 A267 Q268	Q257-Q265 PolarHBondContact O-N 2.91Å; Q265-A267 PolarHBondContact O-N 3.02Å; Q265-Q268 HydrophobicContact CB-CG 4.33Å; Q265-Q268 WeakPolarHBondContact O-CB 3.47Å; Q265-Q268 PolarHBondContact O-N 3.49Å; Q265-Q268 VanDerWaalsContact OE1-CD 3.3Å; Q265-Q268 VanDerWaalsContact OE1-OE1 3.11Å
266	L	78.9	Confident	83.8	Confident	55 Å²	55	47.9 Å²	47.9	29%	0.288	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20	-175.2	-59.7	179.2	0	0	0	113.9	E228 L233 W264 Q268 L269	E228-L266 HydrophobicContact CB-CD2 4.11Å; E228-L266 HydrophobicContact CG-CD1 4.2Å; E228-L266 HydrophobicContact CG-CD2 4.06Å; L233-L266 HydrophobicContact CD1-CD2 3.58Å; W264-L266 HydrophobicContact CB-CD1 4.44Å; W264-L266 HydrophobicContact CB-CD2 3.52Å; W264-L266 HydrophobicContact CB-CG 3.64Å; W264-L266 HydrophobicContact CG-CD2 4.13Å; W264-L266 PolarHBondContact O-N 3.35Å; L266-Q268 PolarHBondContact O-N 2.98Å; L266-L269 WeakPolarHBondContact O-CB 3.47Å; L266-L269 PolarHBondContact O-N 3.44Å
267	A	68	Low	83.7	Confident	101 Å²	101	50 Å²	50	84%	0.835	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.9	170.7	0	0	0	0	0	112.6	Q265	Q265-A267 PolarHBondContact O-N 3.02Å
268	Q	66.4	Low	83.6	Confident	107 Å²	107	47.8 Å²	47.8	50%	0.5	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-91.3	-1.5	177.6	-59.1	174.5	3.2	0	0	113.6	Q265 L266 D270	Q265-Q268 HydrophobicContact CB-CG 4.33Å; Q265-Q268 WeakPolarHBondContact O-CB 3.47Å; Q265-Q268 PolarHBondContact O-N 3.49Å; Q265-Q268 VanDerWaalsContact OE1-CD 3.3Å; Q265-Q268 VanDerWaalsContact OE1-OE1 3.11Å; L266-Q268 PolarHBondContact O-N 2.98Å; Q268-D270 PolarHBondContact O-N 3.08Å
269	L	78.6	Confident	83.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.			trans	-69.8	78.5	-179.1	-176.3	73.8	0	0	0	110.5	E228 R229 L233 V254 V256 L266 I271	E228-L269 HydrophobicContact CB-CD2 3.84Å; E228-L269 HydrophobicContact CG-CD2 3.68Å; R229-L269 HydrophobicContact CG-CD2 4.5Å; R229-L269 PolarHBondContact NH1-O 3.41Å; L233-L269 HydrophobicContact CD2-CD1 4.49Å; V254-L269 HydrophobicContact CG1-CD1 3.44Å; V254-L269 VanDerWaalsContact CG1-CD1 3.44Å; V254-L269 HydrophobicContact CG1-CG 4.15Å; V256-L269 HydrophobicContact CB-CD1 3.69Å; V256-L269 HydrophobicContact CG1-CD1 4.23Å; V256-L269 HydrophobicContact CG2-CD1 3.95Å; L266-L269 WeakPolarHBondContact O-CB 3.47Å; L266-L269 PolarHBondContact O-N 3.44Å; L269-I271 HydrophobicContact CG-CG2 4.43Å; L269-I271 PolarHBondContact O-N 2.71Å
270	D	75.7	Confident	83.3	Confident	37 Å²	37	51.7 Å²	51.7	20%	0.198	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-83.7	110.6	-177.3	-165.5	0.8	0	0	0	111.2	Q268 S272 H273 P373	Q268-D270 PolarHBondContact O-N 3.08Å; D270-S272 WeakPolarHBondContact OD1-CA 2.95Å; D270-S272 WeakPolarHBondContact OD1-CB 3.37Å; D270-S272 PolarHBondContact OD1-N 3.4Å; D270-S272 PolarHBondContact OD1-OG 3.32Å; D270-S272 PolarHBondContact OD2-OG 2.96Å; D270-H273 IonicContact OD2-NE2 3.64Å; D270-P373 WeakPolarHBondContact OD1-CD 3.38Å; D270-P373 WeakPolarHBondContact OD2-CD 3.29Å; D270-P373 WeakPolarHBondContact OD2-CG 3.38Å
271	I	80.4	Confident	83.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.			trans	-105.6	16.1	174	65	163.9	0	0	0	111.6	R229 V231 V254 L269 H273 C274 H371	R229-I271 HydrophobicContact CB-CD1 3.64Å; R229-I271 HydrophobicContact CG-CD1 4.35Å; V231-I271 HydrophobicContact CG2-CG2 3.96Å; V254-I271 HydrophobicContact CB-CG2 4.35Å; V254-I271 HydrophobicContact CG1-CG2 3.64Å; V254-I271 HydrophobicContact CG2-CB 4.46Å; V254-I271 HydrophobicContact CG2-CG2 3.72Å; L269-I271 HydrophobicContact CG-CG2 4.43Å; L269-I271 PolarHBondContact O-N 2.71Å; I271-H273 PolarHBondContact O-N 3.49Å; I271-C274 PolarHBondContact O-N 3.06Å; I271-H371 HydrophobicContact CD1-CB 3.78Å; I271-H371 WeakPolarHBondContact CD1-ND1 3.28Å; I271-H371 HydrophobicContact CG1-CB 3.67Å
272	S	80.7	Confident	82.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.4	174.5	68.5	0	0	0	0	113	D270 G313 G314 Q376	D270-S272 WeakPolarHBondContact OD1-CA 2.95Å; D270-S272 WeakPolarHBondContact OD1-CB 3.37Å; D270-S272 PolarHBondContact OD1-N 3.4Å; D270-S272 PolarHBondContact OD1-OG 3.32Å; D270-S272 PolarHBondContact OD2-OG 2.96Å; S272-G313 CarbonylContact O-C 3.58Å; S272-G313 VanDerWaalsContact O-C 3.28Å; S272-G314 VanDerWaalsContact O-CA 3.23Å; S272-G314 WeakPolarHBondContact O-CA 3.29Å; S272-G314 PolarHBondContact O-N 2.96Å; S272-Q376 PolarHBondContact OG-NE2 3.48Å; S272-Q376 PolarHBondContact OG-OE1 2.85Å
273	H	83.4	Confident	82.7	Confident	109 Å²	109	45 Å²	45	51%	0.505	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.3	-179.2	-59.7	-55.7	0	0	0	113.9	E252 D270 I271 L275	E252-H273 HydrophobicContact CB-CB 4.48Å; D270-H273 IonicContact OD2-NE2 3.64Å; I271-H273 PolarHBondContact O-N 3.49Å; H273-L275 PolarHBondContact O-N 3.05Å
274	C	89.5	Confident	82	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.			trans	-65.1	126.9	179.9	-63.9	0	0	0	0	111.5	C246 A250 V254 I271 Y312 G314	C246-C274 HydrophobicContact CB-CB 3.69Å; C246-C274 WeakPolarHBondContact CB-SG 3.49Å; C246-C274 WeakPolarHBondContact SG-CA 3.5Å; C246-C274 WeakPolarHBondContact SG-CB 3.29Å; C246-C274 CovalentContact SG-SG 2.04Å; C246-C274 PolarHBondContact SG-SG 3.47Å; A250-C274 HydrophobicContact CB-CB 4.46Å; V254-C274 VanDerWaalsContact CG2-SG 3.52Å; I271-C274 PolarHBondContact O-N 3.06Å; C274-Y312 HydrophobicContact CB-CD1 4.29Å; C274-Y312 HydrophobicContact CB-CG 3.99Å; C274-Y312 WeakPolarHBondContact O-CB 3.4Å; C274-G314 VanDerWaalsContact O-CA 3.29Å; C274-G314 WeakPolarHBondContact O-CA 3.43Å; C274-G314 PolarHBondContact O-N 2.67Å
275	L	89.3	Confident	80.6	Confident	25 Å²	25	43.5 Å²	43.5	13%	0.131	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-122.4	118.9	-178	-179.7	68	0	0	0	110.8	A250 Y251 H273 S277 I279 K280 E318	A250-L275 WeakPolarHBondContact CA-O 3.11Å; A250-L275 WeakPolarHBondContact CB-O 3.39Å; Y251-L275 PolarHBondContact N-O 3.03Å; Y251-L275 PolarHBondContact O-N 2.84Å; H273-L275 PolarHBondContact O-N 3.05Å; L275-S277 PolarHBondContact O-N 3.02Å; L275-I279 HydrophobicContact CD1-CB 4.46Å; L275-I279 HydrophobicContact CD1-CG2 3.93Å; L275-K280 HydrophobicContact CD2-CB 3.79Å; L275-K280 HydrophobicContact CD2-CD 4Å; L275-K280 HydrophobicContact CD2-CG 3.84Å; L275-K280 HydrophobicContact CG-CB 4.18Å; L275-E318 HydrophobicContact CD1-CB 3.8Å; L275-E318 HydrophobicContact CD1-CG 4.21Å
276	S	89.3	Confident	79.5	Confident	7 Å²	7	47.1 Å²	47.1	5%	0.049	27%	0.272	C	S	.	.			trans	-60.8	132.2	177.7	-69	0	0	0	0	111.1	W278 I279 K280 D315	S276-W278 VanDerWaalsContact C-N 3.3Å; S276-W278 PolarHBondContact O-N 3.04Å; S276-I279 PolarHBondContact O-N 3.28Å; S276-K280 PolarHBondContact O-N 3.29Å; S276-K280 VanDerWaalsContact O-N 3.11Å; S276-D315 WeakPolarHBondContact CA-OD1 3.19Å; S276-D315 WeakPolarHBondContact CB-OD1 3.3Å; S276-D315 WeakPolarHBondContact CB-OD2 3.44Å; S276-D315 PolarHBondContact N-OD1 3Å; S276-D315 PolarHBondContact OG-OD1 3Å; S276-D315 PolarHBondContact OG-OD2 2.96Å
277	S	87.1	Confident	78.8	Confident	45 Å²	45	45 Å²	45	32%	0.315	26%	0.261	S	S	.	.	H	α-helix	trans	-53	-47.6	178.7	51	0	0	0	0	112.6	L275 I279 K280 D281	L275-S277 PolarHBondContact O-N 3.02Å; S277-I279 PolarHBondContact O-N 2.98Å; S277-I279 VanDerWaalsContact O-N 3.17Å; S277-K280 PolarHBondContact O-N 3.12Å; S277-K280 VanDerWaalsContact O-N 3.13Å; S277-D281 WeakPolarHBondContact O-CB 3.47Å; S277-D281 PolarHBondContact O-N 3.32Å
278	W	85.9	Confident	78.8	Confident	22 Å²	22	42.3 Å²	42.3	8%	0.083	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-19.3	179.7	74.8	-87.3	0	0	0	115.1	S276 M282 I304 R307 R309 L311	S276-W278 VanDerWaalsContact C-N 3.3Å; S276-W278 PolarHBondContact O-N 3.04Å; W278-M282 HydrophobicContact CE3-CE 4.16Å; W278-M282 HydrophobicContact CZ3-CE 3.88Å; W278-M282 WeakPolarHBondContact O-CB 3.4Å; W278-I304 HydrophobicContact CZ3-CG1 4.44Å; W278-R307 HydrophobicContact CH2-CB 4.24Å; W278-R307 HydrophobicContact CZ3-CB 4.47Å; W278-R307 VanDerWaalsContact CZ3-CD 3.45Å; W278-R309 HydrophobicContact CZ2-CB 4.12Å; W278-L311 HydrophobicContact CH2-CD2 4.25Å; W278-L311 HydrophobicContact CZ2-CD2 3.75Å
279	I	88.8	Confident	78.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-80.4	-51.5	170.6	-72.1	-70.9	0	0	0	108.9	L275 S276 S277 D281 M282 L283 I304 D315 E318 V319	L275-I279 HydrophobicContact CD1-CB 4.46Å; L275-I279 HydrophobicContact CD1-CG2 3.93Å; S276-I279 PolarHBondContact O-N 3.28Å; S277-I279 PolarHBondContact O-N 2.98Å; S277-I279 VanDerWaalsContact O-N 3.17Å; I279-D281 PolarHBondContact O-N 2.89Å; I279-M282 HydrophobicContact CD1-CE 4.3Å; I279-M282 PolarHBondContact O-N 3.48Å; I279-M282 VanDerWaalsContact O-N 3.12Å; I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 HydrophobicContact CG2-CG 4.4Å; I279-L283 WeakPolarHBondContact O-CB 3.42Å; I279-L283 WeakPolarHBondContact O-CG 3.31Å; I279-L283 PolarHBondContact O-N 3.43Å; I279-I304 HydrophobicContact CD1-CD1 4.48Å; I279-D315 HydrophobicContact CG1-CB 4.15Å; I279-D315 WeakPolarHBondContact CG1-OD1 3.39Å; I279-E318 HydrophobicContact CG2-CB 4.46Å; I279-E318 HydrophobicContact CG2-CG 4.37Å; I279-V319 HydrophobicContact CD1-CG2 4.06Å; I279-V319 HydrophobicContact CG2-CG2 4.34Å
280	K	85.5	Confident	77.8	Confident	84 Å²	84	44.3 Å²	44.3	37%	0.365	26%	0.262	S	S	.	.	H	α-helix	trans	-56.3	-47.3	179.5	-168	-175.9	-172	171.5	0	112.6	Y251 L275 S276 S277 M282 S284	Y251-K280 HydrophobicContact CD1-CD 4.45Å; Y251-K280 HydrophobicContact CD2-CB 4.31Å; Y251-K280 HydrophobicContact CD2-CD 3.38Å; Y251-K280 HydrophobicContact CE1-CD 4.45Å; Y251-K280 HydrophobicContact CE2-CB 4.27Å; Y251-K280 HydrophobicContact CE2-CD 3.37Å; Y251-K280 HydrophobicContact CE2-CG 4.42Å; Y251-K280 HydrophobicContact CG-CD 3.95Å; L275-K280 HydrophobicContact CD2-CB 3.79Å; L275-K280 HydrophobicContact CD2-CD 4Å; L275-K280 HydrophobicContact CD2-CG 3.84Å; L275-K280 HydrophobicContact CG-CB 4.18Å; S276-K280 PolarHBondContact O-N 3.29Å; S276-K280 VanDerWaalsContact O-N 3.11Å; S277-K280 PolarHBondContact O-N 3.12Å; S277-K280 VanDerWaalsContact O-N 3.13Å; K280-M282 PolarHBondContact O-N 3.03Å; K280-S284 PolarHBondContact O-N 2.94Å
281	D	82.8	Confident	77.1	Confident	106 Å²	106	46.8 Å²	46.8	57%	0.567	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.8	-178.4	-58	-20.1	0	0	0	112	S277 I279	S277-D281 WeakPolarHBondContact O-CB 3.47Å; S277-D281 PolarHBondContact O-N 3.32Å; I279-D281 PolarHBondContact O-N 2.89Å
282	M	83.7	Confident	76.4	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.089	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-24.3	-176.8	-176.5	176.3	71.7	0	0	113.6	W278 I279 K280 L287 N300 S303 I304	W278-M282 HydrophobicContact CE3-CE 4.16Å; W278-M282 HydrophobicContact CZ3-CE 3.88Å; W278-M282 WeakPolarHBondContact O-CB 3.4Å; I279-M282 HydrophobicContact CD1-CE 4.3Å; I279-M282 PolarHBondContact O-N 3.48Å; I279-M282 VanDerWaalsContact O-N 3.12Å; K280-M282 PolarHBondContact O-N 3.03Å; M282-L287 VanDerWaalsContact O-CD1 3.29Å; M282-L287 WeakPolarHBondContact O-CD1 3.43Å; M282-N300 HydrophobicContact CG-CB 3.77Å; M282-N300 PolarHBondContact O-ND2 3.34Å; M282-N300 HydrophobicContact SD-CB 4.33Å; M282-S303 PolarHBondContact SD-OG 3.25Å; M282-I304 HydrophobicContact CE-CD1 4Å; M282-I304 HydrophobicContact CE-CG1 3.47Å; M282-I304 VanDerWaalsContact CE-CG1 3.47Å
283	L	82.5	Confident	76.4	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	31%	0.305	C	S	.	.	S	Bend	trans	-110.8	24.4	-177.3	-58.5	-170.7	0	0	0	112.7	I279 L301 E318 V319 F322	I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 HydrophobicContact CG2-CG 4.4Å; I279-L283 WeakPolarHBondContact O-CB 3.42Å; I279-L283 WeakPolarHBondContact O-CG 3.31Å; I279-L283 PolarHBondContact O-N 3.43Å; L283-L301 HydrophobicContact CD2-CD2 4.21Å; L283-E318 HydrophobicContact CD1-CG 4.49Å; L283-V319 HydrophobicContact CD1-CB 4.35Å; L283-V319 HydrophobicContact CD1-CG2 3.7Å; L283-F322 HydrophobicContact CB-CD2 3.64Å; L283-F322 HydrophobicContact CB-CE2 4.01Å; L283-F322 HydrophobicContact CB-CG 4.13Å; L283-F322 HydrophobicContact CD1-CB 4.07Å; L283-F322 HydrophobicContact CD1-CG 4.18Å; L283-F322 HydrophobicContact CD2-CD1 3.89Å; L283-F322 HydrophobicContact CD2-CD2 4.01Å; L283-F322 HydrophobicContact CD2-CE1 3.89Å; L283-F322 HydrophobicContact CD2-CE2 4.01Å; L283-F322 HydrophobicContact CD2-CG 3.94Å; L283-F322 HydrophobicContact CD2-CZ 3.95Å; L283-F322 HydrophobicContact CG-CD2 4.25Å; L283-F322 HydrophobicContact CG-CG 4.31Å; L283-F322 WeakPolarHBondContact O-CD2 3.22Å
284	S	72	Confident	76.5	Confident	46 Å²	46	45.2 Å²	45.2	32%	0.322	28%	0.281	S	S	.	.			trans	-54.6	149.5	-179.3	61.7	0	0	0	0	112.7	K280 D286 L287	K280-S284 PolarHBondContact O-N 2.94Å; S284-D286 PolarHBondContact O-N 2.84Å; S284-D286 VanDerWaalsContact O-N 3.09Å; S284-L287 PolarHBondContact O-N 2.68Å
285	A	59	Low	76.4	Confident	81 Å²	81	48.2 Å²	48.2	67%	0.669	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-64.2	-18.7	-171.7	0	0	0	0	0	114.3	L287	A285-L287 PolarHBondContact O-N 2.76Å
286	D	61.4	Low	76.2	Confident	140 Å²	140	52.2 Å²	52.2	75%	0.749	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-69.7	-11.3	-176.2	-56.9	-44.3	0	0	0	113.8	S284 F288	S284-D286 PolarHBondContact O-N 2.84Å; S284-D286 VanDerWaalsContact O-N 3.09Å; D286-F288 PolarHBondContact O-N 3.12Å
287	L	65.4	Low	76.2	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.058	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-70.9	9.1	-175.9	-87	153	0	0	0	116.3	M282 S284 A285 S293 E296 A297 F322	M282-L287 VanDerWaalsContact O-CD1 3.29Å; M282-L287 WeakPolarHBondContact O-CD1 3.43Å; S284-L287 PolarHBondContact O-N 2.68Å; A285-L287 PolarHBondContact O-N 2.76Å; L287-S293 VanDerWaalsContact C-OG 3.26Å; L287-S293 CarbonylContact O-C 3.52Å; L287-S293 WeakPolarHBondContact O-CB 3.35Å; L287-S293 PolarHBondContact O-OG 2.74Å; L287-E296 HydrophobicContact CD2-CB 3.98Å; L287-E296 HydrophobicContact CD2-CG 3.74Å; L287-A297 HydrophobicContact CD2-CB 4.36Å; L287-F322 HydrophobicContact CB-CE2 4.23Å; L287-F322 HydrophobicContact CB-CZ 4.35Å; L287-F322 HydrophobicContact CD1-CE2 4.01Å; L287-F322 HydrophobicContact CD1-CZ 4.12Å
288	F	67.5	Low	76.4	Confident	43 Å²	43	50 Å²	50	19%	0.189	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-122.3	17.8	-171.7	-63.6	-62.2	0	0	0	116.2	D286 S293 A297 F322 R325 L326 V329	D286-F288 PolarHBondContact O-N 3.12Å; F288-S293 WeakPolarHBondContact CA-OG 3.39Å; F288-S293 PolarHBondContact N-OG 2.81Å; F288-A297 HydrophobicContact CE1-CB 4.43Å; F288-F322 HydrophobicContact CE1-CZ 4.41Å; F288-F322 AromaticContact CE2-CD2 3.96Å; F288-F322 HydrophobicContact CE2-CD2 3.96Å; F288-F322 AromaticContact CE2-CE2 3.72Å; F288-F322 HydrophobicContact CE2-CE2 3.72Å; F288-F322 HydrophobicContact CE2-CZ 4.31Å; F288-F322 HydrophobicContact CZ-CD1 4.4Å; F288-F322 AromaticContact CZ-CD2 3.85Å; F288-F322 HydrophobicContact CZ-CD2 3.85Å; F288-F322 HydrophobicContact CZ-CE1 4.12Å; F288-F322 AromaticContact CZ-CE2 3.52Å; F288-F322 HydrophobicContact CZ-CE2 3.52Å; F288-F322 HydrophobicContact CZ-CG 4.28Å; F288-F322 AromaticContact CZ-CZ 3.68Å; F288-F322 HydrophobicContact CZ-CZ 3.68Å; F288-R325 HydrophobicContact CE2-CB 4.01Å; F288-R325 HydrophobicContact CZ-CB 3.97Å; F288-L326 HydrophobicContact CE1-CB 3.9Å; F288-L326 HydrophobicContact CE1-CD1 4.04Å; F288-L326 HydrophobicContact CZ-CB 4.26Å; F288-V329 HydrophobicContact CB-CG2 4.2Å; F288-V329 HydrophobicContact CD1-CB 4.17Å; F288-V329 HydrophobicContact CD1-CG1 4.36Å; F288-V329 HydrophobicContact CD1-CG2 3.89Å; F288-V329 HydrophobicContact CG-CG2 4.25Å
289	A	61.7	Low	76.6	Confident	93 Å²	93	51.5 Å²	51.5	77%	0.769	32%	0.324	S	S	*	.	S	Bend	trans	-86.5	-15.7	-176.7	0	0	0	0	0	116.4	S293	A289-S293 PolarHBondContact N-OG 2.95Å
290	S	61.2	Low	76.6	Confident	57 Å²	57	53.2 Å²	53.2	40%	0.399	33%	0.333	S	S	.	.	S	Bend	trans	-158.5	171	-173.2	71	0	0	0	0	115.3	A292 S293 V294	S290-A292 PolarHBondContact O-N 2.74Å; S290-A292 PolarHBondContact OG-N 2.84Å; S290-S293 PolarHBondContact N-OG 2.88Å; S290-S293 VanDerWaalsContact N-OG 3.09Å; S290-S293 PolarHBondContact O-N 2.97Å; S290-S293 PolarHBondContact O-OG 3.16Å; S290-S293 PolarHBondContact OG-N 2.81Å; S290-V294 PolarHBondContact O-N 2.77Å
291	N	61.6	Low	76.9	Confident	88 Å²	88	49.2 Å²	49.2	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-57.6	-34.4	172.1	-68	12.8	0	0	0	112.6	S293 A295 V333	N291-S293 VanDerWaalsContact C-N 3.35Å; N291-A295 PolarHBondContact O-N 2.82Å; N291-V333 HydrophobicContact CB-CG1 4.1Å; N291-V333 WeakPolarHBondContact OD1-CG1 3.47Å; N291-V333 WeakPolarHBondContact OD1-CG2 3.46Å
292	A	66.8	Low	77.3	Confident	71 Å²	71	49.6 Å²	49.6	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-66.7	-38.7	175.6	0	0	0	0	0	111.2	S290 V294 A295 E296	S290-A292 PolarHBondContact O-N 2.74Å; S290-A292 PolarHBondContact OG-N 2.84Å; A292-V294 VanDerWaalsContact C-N 3.34Å; A292-V294 PolarHBondContact O-N 2.83Å; A292-A295 PolarHBondContact O-N 2.85Å; A292-E296 PolarHBondContact O-N 2.78Å
293	S	79.6	Confident	77.6	Confident	8 Å²	8	50.6 Å²	50.6	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-70.5	-28.4	-179	85.4	0	0	0	0	112.6	L287 F288 A289 S290 N291 E296 A297	L287-S293 VanDerWaalsContact C-OG 3.26Å; L287-S293 CarbonylContact O-C 3.52Å; L287-S293 WeakPolarHBondContact O-CB 3.35Å; L287-S293 PolarHBondContact O-OG 2.74Å; F288-S293 WeakPolarHBondContact CA-OG 3.39Å; F288-S293 PolarHBondContact N-OG 2.81Å; A289-S293 PolarHBondContact N-OG 2.95Å; S290-S293 PolarHBondContact N-OG 2.88Å; S290-S293 VanDerWaalsContact N-OG 3.09Å; S290-S293 PolarHBondContact O-N 2.97Å; S290-S293 PolarHBondContact O-OG 3.16Å; S290-S293 PolarHBondContact OG-N 2.81Å; N291-S293 VanDerWaalsContact C-N 3.35Å; S293-E296 PolarHBondContact O-N 2.03Å; S293-A297 VanDerWaalsContact O-CB 3.23Å; S293-A297 WeakPolarHBondContact O-CB 3.49Å; S293-A297 PolarHBondContact O-N 2.92Å
294	V	86.3	Confident	77.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-42.3	169.4	177.4	0	0	0	0	111.7	S290 A292 E296 A297 I298 L326 V329 V333 Y334	S290-V294 PolarHBondContact O-N 2.77Å; A292-V294 VanDerWaalsContact C-N 3.34Å; A292-V294 PolarHBondContact O-N 2.83Å; V294-E296 VanDerWaalsContact C-N 3.35Å; V294-A297 PolarHBondContact O-N 3.06Å; V294-I298 HydrophobicContact CG1-CD1 4.08Å; V294-I298 VanDerWaalsContact O-CG1 3.31Å; V294-I298 WeakPolarHBondContact O-CG1 3.23Å; V294-I298 PolarHBondContact O-N 3.32Å; V294-L326 HydrophobicContact CG1-CD1 4.02Å; V294-V329 HydrophobicContact CG2-CG1 3.76Å; V294-V333 HydrophobicContact CG2-CB 4.32Å; V294-V333 HydrophobicContact CG2-CG1 4.41Å; V294-V333 HydrophobicContact CG2-CG2 3.88Å; V294-Y334 HydrophobicContact CG1-CE1 4.23Å; V294-Y334 WeakPolarHBondContact CG1-OH 3.28Å
295	A	86.6	Confident	78.3	Confident	62 Å²	62	50.5 Å²	50.5	51%	0.512	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-39.4	177.5	0	0	0	0	0	111.8	N291 A292 I298 A299	N291-A295 PolarHBondContact O-N 2.82Å; A292-A295 PolarHBondContact O-N 2.85Å; A295-I298 PolarHBondContact O-N 3.2Å; A295-A299 PolarHBondContact O-N 3.46Å
296	E	86.6	Confident	79	Confident	110 Å²	110	49.5 Å²	49.5	51%	0.514	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-46.1	174.7	-169	175.6	-172.9	0	0	112.2	L287 A292 S293 V294 I298 A299 N300	L287-E296 HydrophobicContact CD2-CB 3.98Å; L287-E296 HydrophobicContact CD2-CG 3.74Å; A292-E296 PolarHBondContact O-N 2.78Å; S293-E296 PolarHBondContact O-N 2.03Å; V294-E296 VanDerWaalsContact C-N 3.35Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3.2Å; E296-A299 WeakPolarHBondContact O-CA 3.08Å; E296-A299 WeakPolarHBondContact O-CB 3.45Å; E296-A299 PolarHBondContact O-N 2.65Å; E296-N300 PolarHBondContact O-N 2.87Å
297	A	88.9	Confident	79.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-40.2	175.1	0	0	0	0	0	112.5	L287 F288 S293 V294 N300 L301 F322 L326	L287-A297 HydrophobicContact CD2-CB 4.36Å; F288-A297 HydrophobicContact CE1-CB 4.43Å; S293-A297 VanDerWaalsContact O-CB 3.23Å; S293-A297 WeakPolarHBondContact O-CB 3.49Å; S293-A297 PolarHBondContact O-N 2.92Å; V294-A297 PolarHBondContact O-N 3.06Å; A297-N300 PolarHBondContact O-N 3.24Å; A297-L301 WeakPolarHBondContact O-CG 3.23Å; A297-L301 PolarHBondContact O-N 3.38Å; A297-F322 HydrophobicContact CB-CE1 3.96Å; A297-F322 HydrophobicContact CB-CZ 3.67Å; A297-L326 HydrophobicContact CB-CD1 3.77Å; A297-L326 HydrophobicContact CB-CD2 4.45Å
298	I	90.7	Very high	79.8	Confident	5 Å²	5	55 Å²	55	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-38.6	174	-70.4	171.2	0	0	0	111.5	V294 A295 E296 R302 L326 Y334 L349 V352	V294-I298 HydrophobicContact CG1-CD1 4.08Å; V294-I298 VanDerWaalsContact O-CG1 3.31Å; V294-I298 WeakPolarHBondContact O-CG1 3.23Å; V294-I298 PolarHBondContact O-N 3.32Å; A295-I298 PolarHBondContact O-N 3.2Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3.2Å; I298-R302 VanDerWaalsContact O-CB 3.29Å; I298-R302 WeakPolarHBondContact O-CB 3.41Å; I298-R302 PolarHBondContact O-N 3.32Å; I298-L326 HydrophobicContact CG1-CD1 4.38Å; I298-L326 HydrophobicContact CG1-CD2 3.94Å; I298-Y334 WeakPolarHBondContact CD1-OH 3.41Å; I298-L349 HydrophobicContact CD1-CD1 4.11Å; I298-L349 HydrophobicContact CG1-CD1 4.23Å; I298-V352 HydrophobicContact CG2-CB 4.34Å; I298-V352 HydrophobicContact CG2-CG1 4.35Å; I298-V352 HydrophobicContact CG2-CG2 3.93Å
299	A	90.4	Very high	80.2	Confident	54 Å²	54	59.6 Å²	59.6	45%	0.446	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-41.3	175.4	0	0	0	0	0	111.9	A295 E296 R302 S303	A295-A299 PolarHBondContact O-N 3.46Å; E296-A299 WeakPolarHBondContact O-CA 3.08Å; E296-A299 WeakPolarHBondContact O-CB 3.45Å; E296-A299 PolarHBondContact O-N 2.65Å; A299-R302 PolarHBondContact O-N 2.93Å; A299-S303 PolarHBondContact O-N 3.31Å; A299-S303 VanDerWaalsContact O-N 3.11Å
300	N	89.1	Confident	81	Confident	35 Å²	35	60.7 Å²	60.7	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-49.8	177	-74.2	-0.4	0	0	0	111.4	M282 E296 A297 R302 S303	M282-N300 HydrophobicContact CG-CB 3.77Å; M282-N300 PolarHBondContact O-ND2 3.34Å; M282-N300 HydrophobicContact SD-CB 4.33Å; E296-N300 PolarHBondContact O-N 2.87Å; A297-N300 PolarHBondContact O-N 3.24Å; N300-R302 PolarHBondContact O-N 3.2Å; N300-S303 WeakPolarHBondContact O-CB 3.4Å; N300-S303 PolarHBondContact O-N 3.16Å; N300-S303 PolarHBondContact O-OG 2.89Å
301	L	91.5	Very high	82.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-44.6	174.5	-72.9	178.6	0	0	0	112.5	L283 A297 S303 I304 P305 V319 F322 V323 L326 V352 T356	L283-L301 HydrophobicContact CD2-CD2 4.21Å; A297-L301 WeakPolarHBondContact O-CG 3.23Å; A297-L301 PolarHBondContact O-N 3.38Å; L301-S303 PolarHBondContact O-N 3.38Å; L301-S303 VanDerWaalsContact O-N 3.11Å; L301-I304 HydrophobicContact CD2-CD1 3.78Å; L301-I304 WeakPolarHBondContact O-CB 3.4Å; L301-I304 PolarHBondContact O-N 2.91Å; L301-P305 WeakPolarHBondContact O-CD 3.42Å; L301-V319 HydrophobicContact CD2-CG1 4.36Å; L301-F322 HydrophobicContact CD1-CD1 4.13Å; L301-F322 HydrophobicContact CD1-CE1 4.08Å; L301-F322 HydrophobicContact CD2-CD1 3.87Å; L301-F322 HydrophobicContact CD2-CE1 4.16Å; L301-F322 HydrophobicContact CG-CD1 4.07Å; L301-F322 HydrophobicContact CG-CE1 3.9Å; L301-V323 HydrophobicContact CD1-CG2 3.78Å; L301-V323 HydrophobicContact CD2-CG2 3.99Å; L301-L326 HydrophobicContact CD1-CD2 3.37Å; L301-V352 HydrophobicContact CB-CG1 3.73Å; L301-T356 HydrophobicContact CD2-CG2 4.39Å
302	R	91.3	Very high	83.5	Confident	114 Å²	114	55.2 Å²	55.2	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-20.9	175.7	175.6	171	-81.7	152.8	0.8	112.9	I298 A299 N300 N348 V352	I298-R302 VanDerWaalsContact O-CB 3.29Å; I298-R302 WeakPolarHBondContact O-CB 3.41Å; I298-R302 PolarHBondContact O-N 3.32Å; A299-R302 PolarHBondContact O-N 2.93Å; N300-R302 PolarHBondContact O-N 3.2Å; R302-N348 PolarHBondContact NH1-OD1 2.8Å; R302-N348 PolarHBondContact NH2-OD1 3.27Å; R302-V352 HydrophobicContact CB-CG1 4.3Å; R302-V352 HydrophobicContact CB-CG2 4.25Å
303	S	89.8	Confident	84.4	Confident	39 Å²	39	51.8 Å²	51.8	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.3	176.1	90.2	0	0	0	0	114.4	M282 A299 N300 L301 R307	M282-S303 PolarHBondContact SD-OG 3.25Å; A299-S303 PolarHBondContact O-N 3.31Å; A299-S303 VanDerWaalsContact O-N 3.11Å; N300-S303 WeakPolarHBondContact O-CB 3.4Å; N300-S303 PolarHBondContact O-N 3.16Å; N300-S303 PolarHBondContact O-OG 2.89Å; L301-S303 PolarHBondContact O-N 3.38Å; L301-S303 VanDerWaalsContact O-N 3.11Å; S303-R307 PolarHBondContact OG-NH2 3.49Å
304	I	89	Confident	84.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-65.3	-51.8	179.1	-64.2	168.7	0	0	0	111.7	W278 I279 M282 L301 G306 R307 V319 T356 F359	W278-I304 HydrophobicContact CZ3-CG1 4.44Å; I279-I304 HydrophobicContact CD1-CD1 4.48Å; M282-I304 HydrophobicContact CE-CD1 4Å; M282-I304 HydrophobicContact CE-CG1 3.47Å; M282-I304 VanDerWaalsContact CE-CG1 3.47Å; L301-I304 HydrophobicContact CD2-CD1 3.78Å; L301-I304 WeakPolarHBondContact O-CB 3.4Å; L301-I304 PolarHBondContact O-N 2.91Å; I304-G306 PolarHBondContact O-N 3.46Å; I304-R307 PolarHBondContact O-N 2.95Å; I304-R307 VanDerWaalsContact O-N 3.11Å; I304-V319 HydrophobicContact CD1-CG1 4.23Å; I304-V319 HydrophobicContact CD1-CG2 3.97Å; I304-T356 HydrophobicContact CD1-CG2 4.17Å; I304-F359 HydrophobicContact CG2-CD1 3.72Å; I304-F359 HydrophobicContact CG2-CE1 3.67Å
305	P	80.2	Confident	85	Confident	50 Å²	50	51.7 Å²	51.7	33%	0.325	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.8	1.2	-171.3	-25	38.1	0	0	0	117.2	L301 F359	L301-P305 WeakPolarHBondContact O-CD 3.42Å; P305-F359 HydrophobicContact CB-CB 3.93Å; P305-F359 HydrophobicContact CB-CD2 4.17Å; P305-F359 HydrophobicContact CB-CG 4.03Å; P305-F359 HydrophobicContact CG-CB 4.04Å; P305-F359 HydrophobicContact CG-CG 4.38Å
306	G	73.1	Confident	85.2	Confident	59 Å²	59	48.7 Å²	48.7	61%	0.608	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-110.6	-2.4	175.7	0	0	0	0	0	114.9	I304	I304-G306 PolarHBondContact O-N 3.46Å
307	R	74	Confident	85.3	Confident	90 Å²	90	45.9 Å²	45.9	34%	0.34	24%	0.243	S	C	.	.			trans	-95.7	107	-177.2	-67	179.4	-172.4	-153.3	6.7	110.1	W278 S303 I304 R309	W278-R307 HydrophobicContact CH2-CB 4.24Å; W278-R307 HydrophobicContact CZ3-CB 4.47Å; W278-R307 VanDerWaalsContact CZ3-CD 3.45Å; S303-R307 PolarHBondContact OG-NH2 3.49Å; I304-R307 PolarHBondContact O-N 2.95Å; I304-R307 VanDerWaalsContact O-N 3.11Å; R307-R309 PolarHBondContact O-N 3.45Å
308	H	69.1	Low	85.2	Confident	178 Å²	178	48.4 Å²	48.4	82%	0.824	25%	0.254	S	S	*	.			trans	-73.7	56.4	173.1	-61.9	-73.8	0	0	0	112.1
309	R	76.1	Confident	85.3	Confident	139 Å²	139	48.2 Å²	48.2	53%	0.525	25%	0.253	S	S	.	.			trans	-110.6	146.7	174	-66.2	-173.6	176.4	-157.4	-3.4	109	W278 R307	W278-R309 HydrophobicContact CZ2-CB 4.12Å; R307-R309 PolarHBondContact O-N 3.45Å
310	D	79.2	Confident	85.3	Confident	116 Å²	116	45.6 Å²	45.6	62%	0.62	23%	0.232	S	C	*	.			trans	-60.1	144.3	171.6	-61.5	-53.5	0	0	0	110
311	L	87.8	Confident	85.2	Confident	13 Å²	13	45.4 Å²	45.4	7%	0.068	23%	0.233	C	C	.	.			trans	-111.5	150	173.2	-64.2	176.6	0	0	0	109.3	W278 D315 F359 L360 N365 A368	W278-L311 HydrophobicContact CH2-CD2 4.25Å; W278-L311 HydrophobicContact CZ2-CD2 3.75Å; L311-D315 WeakPolarHBondContact CA-OD2 3.41Å; L311-D315 HydrophobicContact CB-CB 4.36Å; L311-D315 HydrophobicContact CD2-CB 3.94Å; L311-F359 HydrophobicContact CD1-CE1 4.01Å; L311-L360 HydrophobicContact CD1-CD2 3.55Å; L311-N365 HydrophobicContact CD1-CB 4.35Å; L311-A368 HydrophobicContact CB-CB 4.07Å; L311-A368 WeakPolarHBondContact O-CB 3.45Å
312	Y	88	Confident	85.2	Confident	16 Å²	16	45.4 Å²	45.4	6%	0.063	23%	0.233	C	C	.	.			trans	-111.2	174.8	172	-56.7	-77.1	0	0	0	110.7	P247 N248 A250 C274 G314 D315 I316	P247-Y312 HydrophobicContact CB-CE1 4.15Å; P247-Y312 HydrophobicContact CG-CE1 4.17Å; N248-Y312 PolarHBondContact ND2-OH 3.21Å; A250-Y312 HydrophobicContact CB-CD2 4.36Å; A250-Y312 HydrophobicContact CB-CE2 4.22Å; C274-Y312 HydrophobicContact CB-CD1 4.29Å; C274-Y312 HydrophobicContact CB-CG 3.99Å; C274-Y312 WeakPolarHBondContact O-CB 3.4Å; Y312-G314 PolarHBondContact O-N 3.33Å; Y312-D315 PolarHBondContact N-OD2 2.78Å; Y312-D315 PolarHBondContact O-N 3.39Å; Y312-I316 PolarHBondContact O-N 3Å
313	G	85.9	Confident	85.2	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-36.7	177	0	0	0	0	0	112.6	S272 D315 I316 T317	S272-G313 CarbonylContact O-C 3.58Å; S272-G313 VanDerWaalsContact O-C 3.28Å; G313-D315 VanDerWaalsContact C-N 3.3Å; G313-D315 PolarHBondContact O-N 3.21Å; G313-I316 WeakPolarHBondContact O-CB 3.42Å; G313-I316 PolarHBondContact O-N 2.91Å; G313-I316 VanDerWaalsContact O-N 3.15Å; G313-T317 PolarHBondContact O-N 3.49Å; G313-T317 PolarHBondContact O-OG1 2.93Å
314	G	87	Confident	85.2	Confident	5 Å²	5	40.9 Å²	40.9	5%	0.052	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-32	-179.6	0	0	0	0	0	112.3	S272 C274 Y312 T317 E318	S272-G314 VanDerWaalsContact O-CA 3.23Å; S272-G314 WeakPolarHBondContact O-CA 3.29Å; S272-G314 PolarHBondContact O-N 2.96Å; C274-G314 VanDerWaalsContact O-CA 3.29Å; C274-G314 WeakPolarHBondContact O-CA 3.43Å; C274-G314 PolarHBondContact O-N 2.67Å; Y312-G314 PolarHBondContact O-N 3.33Å; G314-T317 WeakPolarHBondContact CA-OG1 3.41Å; G314-T317 PolarHBondContact O-OG1 3.48Å; G314-E318 VanDerWaalsContact O-CB 3.22Å; G314-E318 WeakPolarHBondContact O-CB 3.44Å; G314-E318 PolarHBondContact O-N 2.97Å
315	D	90.4	Very high	85.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-40.6	173.6	-61.9	-39	0	0	0	111.4	S276 I279 L311 Y312 G313 V319	S276-D315 WeakPolarHBondContact CA-OD1 3.19Å; S276-D315 WeakPolarHBondContact CB-OD1 3.3Å; S276-D315 WeakPolarHBondContact CB-OD2 3.44Å; S276-D315 PolarHBondContact N-OD1 3Å; S276-D315 PolarHBondContact OG-OD1 3Å; S276-D315 PolarHBondContact OG-OD2 2.96Å; I279-D315 HydrophobicContact CG1-CB 4.15Å; I279-D315 WeakPolarHBondContact CG1-OD1 3.39Å; L311-D315 WeakPolarHBondContact CA-OD2 3.41Å; L311-D315 HydrophobicContact CB-CB 4.36Å; L311-D315 HydrophobicContact CD2-CB 3.94Å; Y312-D315 PolarHBondContact N-OD2 2.78Å; Y312-D315 PolarHBondContact O-N 3.39Å; G313-D315 VanDerWaalsContact C-N 3.3Å; G313-D315 PolarHBondContact O-N 3.21Å; D315-V319 VanDerWaalsContact O-CB 3.28Å; D315-V319 WeakPolarHBondContact O-CB 3.49Å; D315-V319 WeakPolarHBondContact O-CG2 3.35Å; D315-V319 PolarHBondContact O-N 3.36Å
316	I	90.8	Very high	85.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-45.6	178.8	-68.3	162.1	0	0	0	110.7	Y312 G313 S320 L360 A368 W369 M372 A380	Y312-I316 PolarHBondContact O-N 3Å; G313-I316 WeakPolarHBondContact O-CB 3.42Å; G313-I316 PolarHBondContact O-N 2.91Å; G313-I316 VanDerWaalsContact O-N 3.15Å; I316-S320 VanDerWaalsContact O-CB 3.28Å; I316-S320 WeakPolarHBondContact O-CB 3.45Å; I316-S320 PolarHBondContact O-N 3.11Å; I316-S320 PolarHBondContact O-OG 3.11Å; I316-L360 HydrophobicContact CG1-CD2 4.39Å; I316-A368 HydrophobicContact CD1-CB 3.64Å; I316-W369 HydrophobicContact CD1-CD2 3.9Å; I316-W369 HydrophobicContact CD1-CG 3.8Å; I316-W369 HydrophobicContact CG2-CD2 4.31Å; I316-W369 HydrophobicContact CG2-CE3 4.34Å; I316-W369 HydrophobicContact CG2-CH2 3.63Å; I316-W369 HydrophobicContact CG2-CZ2 3.56Å; I316-W369 HydrophobicContact CG2-CZ3 4.03Å; I316-M372 HydrophobicContact CB-CE 4.21Å; I316-M372 HydrophobicContact CD1-CE 3.9Å; I316-M372 HydrophobicContact CG2-CE 4.02Å; I316-A380 HydrophobicContact CG2-CB 4.41Å
317	T	88	Confident	86.6	Confident	51 Å²	51	40.1 Å²	40.1	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-69.6	-41.6	-179.4	53.7	0	0	0	0	111.6	G313 G314 S320 S321 M372 A380	G313-T317 PolarHBondContact O-N 3.49Å; G313-T317 PolarHBondContact O-OG1 2.93Å; G314-T317 WeakPolarHBondContact CA-OG1 3.41Å; G314-T317 PolarHBondContact O-OG1 3.48Å; T317-S320 PolarHBondContact O-N 2.82Å; T317-S321 WeakPolarHBondContact O-CB 3.48Å; T317-S321 PolarHBondContact O-N 2.7Å; T317-M372 HydrophobicContact CG2-SD 4.08Å; T317-A380 HydrophobicContact CG2-CB 4.45Å
318	E	88	Confident	87.4	Confident	52 Å²	52	43 Å²	43	24%	0.243	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-50.7	176.2	-174.5	53.3	-122.4	0	0	111.2	L275 I279 L283 G314 S320 S321 F322 R325	L275-E318 HydrophobicContact CD1-CB 3.8Å; L275-E318 HydrophobicContact CD1-CG 4.21Å; I279-E318 HydrophobicContact CG2-CB 4.46Å; I279-E318 HydrophobicContact CG2-CG 4.37Å; L283-E318 HydrophobicContact CD1-CG 4.49Å; G314-E318 VanDerWaalsContact O-CB 3.22Å; G314-E318 WeakPolarHBondContact O-CB 3.44Å; G314-E318 PolarHBondContact O-N 2.97Å; E318-S320 VanDerWaalsContact C-N 3.3Å; E318-S320 PolarHBondContact O-N 3.05Å; E318-S321 PolarHBondContact O-N 3.26Å; E318-S321 VanDerWaalsContact O-N 3.13Å; E318-S321 PolarHBondContact O-OG 3.02Å; E318-S321 PolarHBondContact OE1-OG 3.22Å; E318-F322 WeakPolarHBondContact O-CB 2.77Å; E318-F322 PolarHBondContact O-N 2.86Å; E318-R325 IonicContact OE1-CZ 2.66Å; E318-R325 IonicContact OE1-NH1 2.63Å; E318-R325 IonicContact OE1-NH2 2.7Å; E318-R325 PolarHBondContact OE1-NH2 2.83Å
319	V	91.6	Very high	88.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-56.4	-44.7	176.4	172.3	0	0	0	0	111.2	I279 L283 L301 I304 D315 S321 F322 V323 T356 L360	I279-V319 HydrophobicContact CD1-CG2 4.06Å; I279-V319 HydrophobicContact CG2-CG2 4.34Å; L283-V319 HydrophobicContact CD1-CB 4.35Å; L283-V319 HydrophobicContact CD1-CG2 3.7Å; L301-V319 HydrophobicContact CD2-CG1 4.36Å; I304-V319 HydrophobicContact CD1-CG1 4.23Å; I304-V319 HydrophobicContact CD1-CG2 3.97Å; D315-V319 VanDerWaalsContact O-CB 3.28Å; D315-V319 WeakPolarHBondContact O-CB 3.49Å; D315-V319 WeakPolarHBondContact O-CG2 3.35Å; D315-V319 PolarHBondContact O-N 3.36Å; V319-S321 VanDerWaalsContact C-N 3.34Å; V319-S321 PolarHBondContact O-N 3.2Å; V319-F322 PolarHBondContact O-N 3.5Å; V319-V323 HydrophobicContact CG1-CG2 4.39Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.33Å; V319-V323 PolarHBondContact O-N 3.01Å; V319-T356 HydrophobicContact CG1-CG2 3.81Å; V319-L360 HydrophobicContact CB-CD1 4.21Å; V319-L360 HydrophobicContact CG1-CD1 3.88Å
320	S	90.7	Very high	88.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-41.5	178.7	-57.7	0	0	0	0	111.9	I316 T317 E318 K324	I316-S320 VanDerWaalsContact O-CB 3.28Å; I316-S320 WeakPolarHBondContact O-CB 3.45Å; I316-S320 PolarHBondContact O-N 3.11Å; I316-S320 PolarHBondContact O-OG 3.11Å; T317-S320 PolarHBondContact O-N 2.82Å; E318-S320 VanDerWaalsContact C-N 3.3Å; E318-S320 PolarHBondContact O-N 3.05Å; S320-K324 PolarHBondContact O-N 3.04Å; S320-K324 VanDerWaalsContact O-N 3.11Å
321	S	87.9	Confident	89.4	Confident	30 Å²	30	26.2 Å²	26.2	21%	0.21	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-39.8	177.1	85.8	0	0	0	0	112.3	T317 E318 V319 K324 R325	T317-S321 WeakPolarHBondContact O-CB 3.48Å; T317-S321 PolarHBondContact O-N 2.7Å; E318-S321 PolarHBondContact O-N 3.26Å; E318-S321 VanDerWaalsContact O-N 3.13Å; E318-S321 PolarHBondContact O-OG 3.02Å; E318-S321 PolarHBondContact OE1-OG 3.22Å; V319-S321 VanDerWaalsContact C-N 3.34Å; V319-S321 PolarHBondContact O-N 3.2Å; S321-K324 PolarHBondContact O-N 3.49Å; S321-R325 WeakPolarHBondContact O-CG 3.5Å; S321-R325 PolarHBondContact O-N 2.92Å; S321-R325 PolarHBondContact OG-NH1 3.02Å
322	F	90.5	Very high	89.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-44.6	176.3	-177.2	-84	0	0	0	111.4	L283 L287 F288 A297 L301 E318 V319 K324 R325 L326	L283-F322 HydrophobicContact CB-CD2 3.64Å; L283-F322 HydrophobicContact CB-CE2 4.01Å; L283-F322 HydrophobicContact CB-CG 4.13Å; L283-F322 HydrophobicContact CD1-CB 4.07Å; L283-F322 HydrophobicContact CD1-CG 4.18Å; L283-F322 HydrophobicContact CD2-CD1 3.89Å; L283-F322 HydrophobicContact CD2-CD2 4.01Å; L283-F322 HydrophobicContact CD2-CE1 3.89Å; L283-F322 HydrophobicContact CD2-CE2 4.01Å; L283-F322 HydrophobicContact CD2-CG 3.94Å; L283-F322 HydrophobicContact CD2-CZ 3.95Å; L283-F322 HydrophobicContact CG-CD2 4.25Å; L283-F322 HydrophobicContact CG-CG 4.31Å; L283-F322 WeakPolarHBondContact O-CD2 3.22Å; L287-F322 HydrophobicContact CB-CE2 4.23Å; L287-F322 HydrophobicContact CB-CZ 4.35Å; L287-F322 HydrophobicContact CD1-CE2 4.01Å; L287-F322 HydrophobicContact CD1-CZ 4.12Å; F288-F322 HydrophobicContact CE1-CZ 4.41Å; F288-F322 AromaticContact CE2-CD2 3.96Å; F288-F322 HydrophobicContact CE2-CD2 3.96Å; F288-F322 AromaticContact CE2-CE2 3.72Å; F288-F322 HydrophobicContact CE2-CE2 3.72Å; F288-F322 HydrophobicContact CE2-CZ 4.31Å; F288-F322 HydrophobicContact CZ-CD1 4.4Å; F288-F322 AromaticContact CZ-CD2 3.85Å; F288-F322 HydrophobicContact CZ-CD2 3.85Å; F288-F322 HydrophobicContact CZ-CE1 4.12Å; F288-F322 AromaticContact CZ-CE2 3.52Å; F288-F322 HydrophobicContact CZ-CE2 3.52Å; F288-F322 HydrophobicContact CZ-CG 4.28Å; F288-F322 AromaticContact CZ-CZ 3.68Å; F288-F322 HydrophobicContact CZ-CZ 3.68Å; A297-F322 HydrophobicContact CB-CE1 3.96Å; A297-F322 HydrophobicContact CB-CZ 3.67Å; L301-F322 HydrophobicContact CD1-CD1 4.13Å; L301-F322 HydrophobicContact CD1-CE1 4.08Å; L301-F322 HydrophobicContact CD2-CD1 3.87Å; L301-F322 HydrophobicContact CD2-CE1 4.16Å; L301-F322 HydrophobicContact CG-CD1 4.07Å; L301-F322 HydrophobicContact CG-CE1 3.9Å; E318-F322 WeakPolarHBondContact O-CB 2.77Å; E318-F322 PolarHBondContact O-N 2.86Å; V319-F322 PolarHBondContact O-N 3.5Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 3.48Å; F322-R325 PolarHBondContact O-N 3.48Å; F322-L326 HydrophobicContact CE1-CD2 4.49Å; F322-L326 WeakPolarHBondContact O-CB 3.36Å; F322-L326 PolarHBondContact O-N 3.47Å
323	V	92.4	Very high	89.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-43.6	175.2	170.9	0	0	0	0	110.9	L301 V319 R325 L326 I327 V353 F357	L301-V323 HydrophobicContact CD1-CG2 3.78Å; L301-V323 HydrophobicContact CD2-CG2 3.99Å; V319-V323 HydrophobicContact CG1-CG2 4.39Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.33Å; V319-V323 PolarHBondContact O-N 3.01Å; V323-R325 PolarHBondContact O-N 3.3Å; V323-L326 PolarHBondContact O-N 3.47Å; V323-I327 HydrophobicContact CG1-CD1 3.7Å; V323-I327 HydrophobicContact CG1-CG1 4.32Å; V323-I327 VanDerWaalsContact O-CG1 3.31Å; V323-I327 WeakPolarHBondContact O-CG1 3.42Å; V323-I327 PolarHBondContact O-N 2.83Å; V323-V353 HydrophobicContact CG1-CG1 4.01Å; V323-V353 HydrophobicContact CG1-CG2 3.85Å; V323-F357 HydrophobicContact CB-CE2 4.23Å; V323-F357 HydrophobicContact CB-CZ 3.98Å; V323-F357 HydrophobicContact CG1-CE2 3.66Å; V323-F357 HydrophobicContact CG1-CZ 3.91Å; V323-F357 HydrophobicContact CG2-CE2 4.4Å; V323-F357 HydrophobicContact CG2-CZ 4.18Å
324	K	90.6	Very high	89.5	Confident	58 Å²	58	32.3 Å²	32.3	25%	0.252	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-41.5	176.7	-166.4	68.3	172.6	-179.9	0	112.3	S320 S321 F322 K328 L383 S386 E390	S320-K324 PolarHBondContact O-N 3.04Å; S320-K324 VanDerWaalsContact O-N 3.11Å; S321-K324 PolarHBondContact O-N 3.49Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 3.48Å; K324-K328 PolarHBondContact O-N 2.73Å; K324-L383 HydrophobicContact CB-CD1 4.24Å; K324-L383 HydrophobicContact CD-CD1 3.98Å; K324-L383 HydrophobicContact CG-CD1 4.06Å; K324-S386 PolarHBondContact NZ-OG 3.11Å; K324-E390 IonicContact NZ-OE1 3.75Å; K324-E390 PolarHBondContact NZ-OE1 2.66Å; K324-E390 IonicContact NZ-OE2 2.87Å; K324-E390 PolarHBondContact NZ-OE2 2.84Å
325	R	88.7	Confident	89.5	Confident	93 Å²	93	35.1 Å²	35.1	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-62.9	-46.7	173.1	-68.9	-173	-63.5	-92.7	7.1	111.4	F288 E318 S321 F322 V323 I327 K328 V329	F288-R325 HydrophobicContact CE2-CB 4.01Å; F288-R325 HydrophobicContact CZ-CB 3.97Å; E318-R325 IonicContact OE1-CZ 2.66Å; E318-R325 IonicContact OE1-NH1 2.63Å; E318-R325 IonicContact OE1-NH2 2.7Å; E318-R325 PolarHBondContact OE1-NH2 2.83Å; S321-R325 WeakPolarHBondContact O-CG 3.5Å; S321-R325 PolarHBondContact O-N 2.92Å; S321-R325 PolarHBondContact OG-NH1 3.02Å; F322-R325 PolarHBondContact O-N 3.48Å; V323-R325 PolarHBondContact O-N 3.3Å; R325-I327 PolarHBondContact O-N 2.93Å; R325-K328 PolarHBondContact O-N 2.87Å; R325-V329 WeakPolarHBondContact O-CG2 3.23Å; R325-V329 PolarHBondContact O-N 2.81Å; R325-V329 VanDerWaalsContact O-N 3.1Å
326	L	91	Very high	89.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-44.4	179.1	176.2	63	0	0	0	112.6	F288 V294 A297 I298 L301 F322 V323 K328 V329 S330 L349	F288-L326 HydrophobicContact CE1-CB 3.9Å; F288-L326 HydrophobicContact CE1-CD1 4.04Å; F288-L326 HydrophobicContact CZ-CB 4.26Å; V294-L326 HydrophobicContact CG1-CD1 4.02Å; A297-L326 HydrophobicContact CB-CD1 3.77Å; A297-L326 HydrophobicContact CB-CD2 4.45Å; I298-L326 HydrophobicContact CG1-CD1 4.38Å; I298-L326 HydrophobicContact CG1-CD2 3.94Å; L301-L326 HydrophobicContact CD1-CD2 3.37Å; F322-L326 HydrophobicContact CE1-CD2 4.49Å; F322-L326 WeakPolarHBondContact O-CB 3.36Å; F322-L326 PolarHBondContact O-N 3.47Å; V323-L326 PolarHBondContact O-N 3.47Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.02Å; L326-V329 PolarHBondContact O-N 2.89Å; L326-S330 WeakPolarHBondContact O-CB 3.41Å; L326-S330 PolarHBondContact O-N 2.81Å; L326-S330 PolarHBondContact O-OG 2.87Å; L326-L349 HydrophobicContact CD2-CD1 3.96Å; L326-L349 HydrophobicContact CG-CD1 4.1Å
327	I	91.6	Very high	89.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-47.6	177.6	-74.1	166.4	0	0	0	110.6	V323 R325 V329 S330 T331 V353 S387 E390 M394	V323-I327 HydrophobicContact CG1-CD1 3.7Å; V323-I327 HydrophobicContact CG1-CG1 4.32Å; V323-I327 VanDerWaalsContact O-CG1 3.31Å; V323-I327 WeakPolarHBondContact O-CG1 3.42Å; V323-I327 PolarHBondContact O-N 2.83Å; R325-I327 PolarHBondContact O-N 2.93Å; I327-V329 PolarHBondContact O-N 2.99Å; I327-S330 PolarHBondContact O-N 2.94Å; I327-T331 PolarHBondContact O-N 2.96Å; I327-T331 VanDerWaalsContact O-N 3.11Å; I327-T331 PolarHBondContact O-OG1 3.02Å; I327-V353 HydrophobicContact CD1-CG2 4.46Å; I327-S387 WeakPolarHBondContact CD1-O 3.19Å; I327-E390 HydrophobicContact CG2-CB 4.09Å; I327-M394 HydrophobicContact CG2-CE 3.36Å; I327-M394 HydrophobicContact CG2-SD 3.93Å
328	K	89.2	Confident	89.2	Confident	151 Å²	151	46.2 Å²	46.2	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-60.1	-45.8	178.1	-175.8	179.6	178.1	-178.3	0	112.8	K324 R325 L326	K324-K328 PolarHBondContact O-N 2.73Å; R325-K328 PolarHBondContact O-N 2.87Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.02Å
329	V	88.8	Confident	89.2	Confident	28 Å²	28	48 Å²	48	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-70.6	-41.2	179.3	177.8	0	0	0	0	111.3	F288 V294 R325 L326 I327 T331 Q332 V333	F288-V329 HydrophobicContact CB-CG2 4.2Å; F288-V329 HydrophobicContact CD1-CB 4.17Å; F288-V329 HydrophobicContact CD1-CG1 4.36Å; F288-V329 HydrophobicContact CD1-CG2 3.89Å; F288-V329 HydrophobicContact CG-CG2 4.25Å; V294-V329 HydrophobicContact CG2-CG1 3.76Å; R325-V329 WeakPolarHBondContact O-CG2 3.23Å; R325-V329 PolarHBondContact O-N 2.81Å; R325-V329 VanDerWaalsContact O-N 3.1Å; L326-V329 PolarHBondContact O-N 2.89Å; I327-V329 PolarHBondContact O-N 2.99Å; V329-T331 PolarHBondContact O-N 2.93Å; V329-Q332 PolarHBondContact O-N 2.88Å; V329-V333 HydrophobicContact CG1-CG2 4.27Å; V329-V333 PolarHBondContact O-N 3.12Å
330	S	89.9	Confident	89	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-36.3	177.6	-61.6	0	0	0	0	112.2	L326 I327 Q332 V333 Y334	L326-S330 WeakPolarHBondContact O-CB 3.41Å; L326-S330 PolarHBondContact O-N 2.81Å; L326-S330 PolarHBondContact O-OG 2.87Å; I327-S330 PolarHBondContact O-N 2.94Å; S330-Q332 VanDerWaalsContact C-N 3.33Å; S330-Q332 PolarHBondContact O-N 2.87Å; S330-V333 PolarHBondContact O-N 3.41Å; S330-Y334 VanDerWaalsContact O-CB 3.3Å; S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 VanDerWaalsContact O-CD2 3.31Å; S330-Y334 WeakPolarHBondContact O-CD2 3.24Å; S330-Y334 VanDerWaalsContact O-CG 3.26Å; S330-Y334 PolarHBondContact O-N 3.47Å
331	T	87.8	Confident	89	Confident	51 Å²	51	59.1 Å²	59.1	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-45.1	175.3	-47.4	0	0	0	0	111.8	I327 V329 A335 M394	I327-T331 PolarHBondContact O-N 2.96Å; I327-T331 VanDerWaalsContact O-N 3.11Å; I327-T331 PolarHBondContact O-OG1 3.02Å; V329-T331 PolarHBondContact O-N 2.93Å; T331-A335 VanDerWaalsContact O-CB 3.27Å; T331-A335 WeakPolarHBondContact O-CB 3.36Å; T331-A335 PolarHBondContact O-N 2.88Å; T331-A335 VanDerWaalsContact O-N 3.16Å; T331-M394 HydrophobicContact CG2-CE 4.46Å; T331-M394 WeakPolarHBondContact OG1-CE 3.37Å; T331-M394 PolarHBondContact OG1-SD 3.2Å; T331-M394 VanDerWaalsContact OG1-SD 3.34Å
332	Q	86.3	Confident	89.1	Confident	129 Å²	129	59.4 Å²	59.4	60%	0.603	29%	0.291	S	S	*	.	H	α-helix	trans	-71.2	-41.5	-178.2	-62.6	179.8	-20	0	0	111.5	V329 S330	V329-Q332 PolarHBondContact O-N 2.88Å; S330-Q332 VanDerWaalsContact C-N 3.33Å; S330-Q332 PolarHBondContact O-N 2.87Å
333	V	87.6	Confident	89.2	Confident	14 Å²	14	62.9 Å²	62.9	9%	0.085	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-47.8	179.7	165.9	0	0	0	0	111.9	N291 V294 V329 S330 A335 Q336	N291-V333 HydrophobicContact CB-CG1 4.1Å; N291-V333 WeakPolarHBondContact OD1-CG1 3.47Å; N291-V333 WeakPolarHBondContact OD1-CG2 3.46Å; V294-V333 HydrophobicContact CG2-CB 4.32Å; V294-V333 HydrophobicContact CG2-CG1 4.41Å; V294-V333 HydrophobicContact CG2-CG2 3.88Å; V329-V333 HydrophobicContact CG1-CG2 4.27Å; V329-V333 PolarHBondContact O-N 3.12Å; S330-V333 PolarHBondContact O-N 3.41Å; V333-A335 VanDerWaalsContact C-N 3.31Å; V333-A335 PolarHBondContact O-N 3.16Å; V333-Q336 PolarHBondContact O-N 3.02Å
334	Y	90.7	Very high	89.2	Confident	14 Å²	14	70.9 Å²	70.9	6%	0.055	33%	0.334	C	S	.	.	H	α-helix	trans	-78.5	-12.7	-177.9	-56.7	-29.2	0	0	0	113.3	V294 I298 S330 Q336 Q337 Q342 Y346 L349	V294-Y334 HydrophobicContact CG1-CE1 4.23Å; V294-Y334 WeakPolarHBondContact CG1-OH 3.28Å; I298-Y334 WeakPolarHBondContact CD1-OH 3.41Å; S330-Y334 VanDerWaalsContact O-CB 3.3Å; S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 VanDerWaalsContact O-CD2 3.31Å; S330-Y334 WeakPolarHBondContact O-CD2 3.24Å; S330-Y334 VanDerWaalsContact O-CG 3.26Å; S330-Y334 PolarHBondContact O-N 3.47Å; Y334-Q336 PolarHBondContact O-N 2.94Å; Y334-Q337 PolarHBondContact O-N 2.85Å; Y334-Q342 WeakPolarHBondContact O-CG 3.2Å; Y334-Q342 PolarHBondContact O-NE2 3.15Å; Y334-Y346 AromaticContact CD2-CD1 3.72Å; Y334-Y346 HydrophobicContact CD2-CD1 3.72Å; Y334-Y346 AromaticContact CD2-CE1 3.64Å; Y334-Y346 HydrophobicContact CD2-CE1 3.64Å; Y334-Y346 HydrophobicContact CD2-CG 4.45Å; Y334-Y346 HydrophobicContact CE2-CD1 4.44Å; Y334-Y346 HydrophobicContact CG-CE1 4.34Å; Y334-L349 HydrophobicContact CE2-CD2 4.41Å
335	A	86.6	Confident	89.4	Confident	65 Å²	65	69.2 Å²	69.2	54%	0.537	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.1	169.8	0	0	0	0	0	113.8	T331 V333	T331-A335 VanDerWaalsContact O-CB 3.27Å; T331-A335 WeakPolarHBondContact O-CB 3.36Å; T331-A335 PolarHBondContact O-N 2.88Å; T331-A335 VanDerWaalsContact O-N 3.16Å; V333-A335 VanDerWaalsContact C-N 3.31Å; V333-A335 PolarHBondContact O-N 3.16Å
336	Q	86.2	Confident	89.7	Confident	160 Å²	160	65.4 Å²	65.4	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.7	-179.6	-60.2	-176.8	0.4	0	0	114	V333 Y334	V333-Q336 PolarHBondContact O-N 3.02Å; Y334-Q336 PolarHBondContact O-N 2.94Å
337	Q	87.4	Confident	89.8	Confident	60 Å²	60	66.1 Å²	66.1	28%	0.28	32%	0.321	S	S	.	.	S	Bend	trans	-82.3	162.4	-176	-66.9	-176	-18.8	0	0	112	Y334 E341 Q342 S345	Y334-Q337 PolarHBondContact O-N 2.85Å; Q337-E341 HydrophobicContact CB-CB 4.05Å; Q337-Q342 HydrophobicContact CB-CB 4.36Å; Q337-S345 PolarHBondContact OE1-OG 3.36Å
338	S	90.4	Very high	90	Very high	63 Å²	63	68.7 Å²	68.7	44%	0.441	34%	0.335	S	S	.	.			trans	-62.9	152.5	168.8	74	0	0	0	0	110.3	Q340 E341 Q342	S338-Q340 PolarHBondContact O-N 3.37Å; S338-Q340 VanDerWaalsContact O-N 3.13Å; S338-E341 VanDerWaalsContact CB-OE2 3.25Å; S338-E341 WeakPolarHBondContact CB-OE2 3.47Å; S338-E341 PolarHBondContact N-OE2 3.35Å; S338-E341 VanDerWaalsContact N-OE2 3.13Å; S338-E341 PolarHBondContact O-N 2.83Å; S338-E341 VanDerWaalsContact OG-CG 3.3Å; S338-E341 WeakPolarHBondContact OG-CG 2.99Å; S338-E341 PolarHBondContact OG-OE2 3.23Å; S338-Q342 WeakPolarHBondContact O-CB 3.45Å; S338-Q342 PolarHBondContact O-N 3.42Å
339	Y	86.4	Confident	90.2	Very high	91 Å²	91	61.5 Å²	61.5	36%	0.357	30%	0.304	S	S	.	.	H	α-helix	trans	-52.7	-39.9	-175.9	-172.4	-82.9	0	0	0	113.9	R343 S398 M399 L400	Y339-R343 PolarHBondContact O-N 3.41Å; Y339-R343 VanDerWaalsContact O-N 3.12Å; Y339-S398 WeakPolarHBondContact CE1-O 3.45Å; Y339-S398 VanDerWaalsContact OH-C 3.23Å; Y339-S398 PolarHBondContact OH-O 2.79Å; Y339-M399 PolarHBondContact OH-O 3.05Å; Y339-L400 HydrophobicContact CD1-CD2 4.27Å; Y339-L400 HydrophobicContact CD1-CG 4.47Å; Y339-L400 HydrophobicContact CE1-CD1 4.4Å; Y339-L400 HydrophobicContact CE1-CD2 3.54Å; Y339-L400 HydrophobicContact CE1-CG 3.57Å; Y339-L400 HydrophobicContact CE2-CD2 4.43Å; Y339-L400 WeakPolarHBondContact OH-CA 3.23Å; Y339-L400 PolarHBondContact OH-N 2.79Å; Y339-L400 VanDerWaalsContact OH-N 3.08Å
340	Q	87.7	Confident	90.5	Very high	136 Å²	136	60.2 Å²	60.2	64%	0.636	30%	0.296	S	S	*	.	H	α-helix	trans	-71	-35.9	179.1	-66.9	-172.4	-8.6	0	0	112.7	S338 R344	S338-Q340 PolarHBondContact O-N 3.37Å; S338-Q340 VanDerWaalsContact O-N 3.13Å; Q340-R344 WeakPolarHBondContact O-CG 3.29Å; Q340-R344 PolarHBondContact O-N 3.34Å
341	E	91.1	Very high	90.8	Very high	97 Å²	97	64.2 Å²	64.2	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-71.7	-47.1	175.5	-68.9	165.1	141.9	0	0	110.7	Q337 S338 R343 R344 S345	Q337-E341 HydrophobicContact CB-CB 4.05Å; S338-E341 VanDerWaalsContact CB-OE2 3.25Å; S338-E341 WeakPolarHBondContact CB-OE2 3.47Å; S338-E341 PolarHBondContact N-OE2 3.35Å; S338-E341 VanDerWaalsContact N-OE2 3.13Å; S338-E341 PolarHBondContact O-N 2.83Å; S338-E341 VanDerWaalsContact OG-CG 3.3Å; S338-E341 WeakPolarHBondContact OG-CG 2.99Å; S338-E341 PolarHBondContact OG-OE2 3.23Å; E341-R343 VanDerWaalsContact C-N 3.26Å; E341-R343 PolarHBondContact O-N 2.76Å; E341-R344 WeakPolarHBondContact O-CA 3.5Å; E341-R344 WeakPolarHBondContact O-CB 3.13Å; E341-R344 PolarHBondContact O-N 2.77Å; E341-S345 WeakPolarHBondContact O-CB 3.49Å; E341-S345 PolarHBondContact O-N 3.36Å; E341-S345 PolarHBondContact O-OG 3.13Å; E341-S345 VanDerWaalsContact O-OG 3.11Å
342	Q	90.9	Very high	91.1	Very high	36 Å²	36	61.9 Å²	61.9	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-50.2	-46.9	174.8	177.3	177.9	86.6	0	0	111.5	Y334 Q337 S338 S345 Y346	Y334-Q342 WeakPolarHBondContact O-CG 3.2Å; Y334-Q342 PolarHBondContact O-NE2 3.15Å; Q337-Q342 HydrophobicContact CB-CB 4.36Å; S338-Q342 WeakPolarHBondContact O-CB 3.45Å; S338-Q342 PolarHBondContact O-N 3.42Å; Q342-S345 PolarHBondContact O-N 3.24Å; Q342-Y346 HydrophobicContact CG-CD2 3.63Å; Q342-Y346 HydrophobicContact CG-CE2 3.27Å; Q342-Y346 VanDerWaalsContact O-CD2 3.3Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.21Å; Q342-Y346 PolarHBondContact O-N 3.07Å
343	R	91.7	Very high	91.6	Very high	73 Å²	73	55.7 Å²	55.7	28%	0.275	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.4	-178.3	-172.4	161.5	176.2	5.2	112.8	Y339 E341 S345 A347 L395 S398 D404	Y339-R343 PolarHBondContact O-N 3.41Å; Y339-R343 VanDerWaalsContact O-N 3.12Å; E341-R343 VanDerWaalsContact C-N 3.26Å; E341-R343 PolarHBondContact O-N 2.76Å; R343-S345 VanDerWaalsContact C-N 3.33Å; R343-A347 WeakPolarHBondContact O-CB 3.46Å; R343-A347 PolarHBondContact O-N 3.4Å; R343-L395 HydrophobicContact CG-CD1 4.24Å; R343-S398 WeakPolarHBondContact CA-OG 3.18Å; R343-D404 IonicContact CZ-OD1 2.8Å; R343-D404 IonicContact CZ-OD2 2.79Å; R343-D404 IonicContact NH1-OD1 3.28Å; R343-D404 IonicContact NH1-OD2 3.82Å; R343-D404 PolarHBondContact NH1-OD2 2.97Å; R343-D404 IonicContact NH2-OD1 3.72Å; R343-D404 PolarHBondContact NH2-OD1 3.09Å; R343-D404 IonicContact NH2-OD2 3.21Å; R343-D404 PolarHBondContact NH2-OD2 2.86Å
344	R	93.3	Very high	92	Very high	169 Å²	169	55 Å²	55	64%	0.638	27%	0.266	S	S	*	.	H	α-helix	trans	-63.7	-40.4	177.4	-69.7	172	-173.7	159.5	4.3	111.2	Q340 E341 A347 N348	Q340-R344 WeakPolarHBondContact O-CG 3.29Å; Q340-R344 PolarHBondContact O-N 3.34Å; E341-R344 WeakPolarHBondContact O-CA 3.5Å; E341-R344 WeakPolarHBondContact O-CB 3.13Å; E341-R344 PolarHBondContact O-N 2.77Å; R344-A347 PolarHBondContact O-N 3Å; R344-N348 WeakPolarHBondContact O-CB 3.47Å; R344-N348 PolarHBondContact O-N 3.17Å
345	S	93.5	Very high	92.2	Very high	22 Å²	22	57.2 Å²	57.2	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-49	178.6	-64.4	0	0	0	0	111.6	Q337 E341 Q342 R343 N348 L349	Q337-S345 PolarHBondContact OE1-OG 3.36Å; E341-S345 WeakPolarHBondContact O-CB 3.49Å; E341-S345 PolarHBondContact O-N 3.36Å; E341-S345 PolarHBondContact O-OG 3.13Å; E341-S345 VanDerWaalsContact O-OG 3.11Å; Q342-S345 PolarHBondContact O-N 3.24Å; R343-S345 VanDerWaalsContact C-N 3.33Å; S345-N348 PolarHBondContact O-N 3.27Å; S345-L349 WeakPolarHBondContact O-CB 3.19Å; S345-L349 PolarHBondContact O-N 3.11Å
346	Y	94.6	Very high	92.5	Very high	14 Å²	14	54.1 Å²	54.1	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-36.1	174.8	-68.8	-50	0	0	0	113.1	Y334 Q342 L349 S350 M394	Y334-Y346 AromaticContact CD2-CD1 3.72Å; Y334-Y346 HydrophobicContact CD2-CD1 3.72Å; Y334-Y346 AromaticContact CD2-CE1 3.64Å; Y334-Y346 HydrophobicContact CD2-CE1 3.64Å; Y334-Y346 HydrophobicContact CD2-CG 4.45Å; Y334-Y346 HydrophobicContact CE2-CD1 4.44Å; Y334-Y346 HydrophobicContact CG-CE1 4.34Å; Q342-Y346 HydrophobicContact CG-CD2 3.63Å; Q342-Y346 HydrophobicContact CG-CE2 3.27Å; Q342-Y346 VanDerWaalsContact O-CD2 3.3Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.21Å; Q342-Y346 PolarHBondContact O-N 3.07Å; Y346-L349 HydrophobicContact CD1-CD2 4.41Å; Y346-L349 PolarHBondContact O-N 2.85Å; Y346-S350 WeakPolarHBondContact O-CB 3.22Å; Y346-S350 PolarHBondContact O-N 3.12Å; Y346-S350 PolarHBondContact O-OG 3.04Å; Y346-M394 HydrophobicContact CD1-CB 3.68Å; Y346-M394 HydrophobicContact CD1-SD 4.46Å; Y346-M394 HydrophobicContact CD2-CB 4.45Å; Y346-M394 HydrophobicContact CE1-CB 3.76Å; Y346-M394 HydrophobicContact CE1-CG 4.24Å; Y346-M394 HydrophobicContact CE1-SD 4.03Å; Y346-M394 HydrophobicContact CE2-CB 4.49Å; Y346-M394 HydrophobicContact CG-CB 4.08Å
347	A	94.5	Very high	92.9	Very high	14 Å²	14	46.5 Å²	46.5	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-39.9	175.5	0	0	0	0	0	112.3	R343 R344 S350 K351 L395	R343-A347 WeakPolarHBondContact O-CB 3.46Å; R343-A347 PolarHBondContact O-N 3.4Å; R344-A347 PolarHBondContact O-N 3Å; A347-S350 PolarHBondContact O-OG 3.13Å; A347-K351 VanDerWaalsContact O-CB 3.26Å; A347-K351 WeakPolarHBondContact O-CB 3.45Å; A347-K351 PolarHBondContact O-N 3.43Å; A347-K351 VanDerWaalsContact O-N 3.12Å; A347-L395 HydrophobicContact CB-CD1 3.89Å; A347-L395 HydrophobicContact CB-CD2 4.44Å
348	N	94.7	Very high	93.2	Very high	56 Å²	56	43.7 Å²	43.7	30%	0.299	20%	0.203	S	C	.	.	H	α-helix	trans	-69.5	-39.8	174.3	-178.6	61.5	0	0	0	111.9	R302 R344 S345 V352	R302-N348 PolarHBondContact NH1-OD1 2.8Å; R302-N348 PolarHBondContact NH2-OD1 3.27Å; R344-N348 WeakPolarHBondContact O-CB 3.47Å; R344-N348 PolarHBondContact O-N 3.17Å; S345-N348 PolarHBondContact O-N 3.27Å; N348-V352 WeakPolarHBondContact O-CG2 3.39Å; N348-V352 PolarHBondContact O-N 3.29Å
349	L	94.8	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-54.5	175.4	178.3	66.2	0	0	0	111.4	I298 L326 Y334 S345 Y346 K351 V352 V353	I298-L349 HydrophobicContact CD1-CD1 4.11Å; I298-L349 HydrophobicContact CG1-CD1 4.23Å; L326-L349 HydrophobicContact CD2-CD1 3.96Å; L326-L349 HydrophobicContact CG-CD1 4.1Å; Y334-L349 HydrophobicContact CE2-CD2 4.41Å; S345-L349 WeakPolarHBondContact O-CB 3.19Å; S345-L349 PolarHBondContact O-N 3.11Å; Y346-L349 HydrophobicContact CD1-CD2 4.41Å; Y346-L349 PolarHBondContact O-N 2.85Å; L349-K351 PolarHBondContact O-N 2.78Å; L349-V352 PolarHBondContact O-N 3.18Å; L349-V352 VanDerWaalsContact O-N 3.12Å; L349-V353 HydrophobicContact CD1-CG2 4.06Å; L349-V353 HydrophobicContact CG-CG2 4.34Å; L349-V353 WeakPolarHBondContact O-CB 3.34Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 3.16Å
350	S	95.2	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-35.9	-178.9	69.1	0	0	0	0	111.7	Y346 A347 T354	Y346-S350 WeakPolarHBondContact O-CB 3.22Å; Y346-S350 PolarHBondContact O-N 3.12Å; Y346-S350 PolarHBondContact O-OG 3.04Å; A347-S350 PolarHBondContact O-OG 3.13Å; S350-T354 VanDerWaalsContact O-CB 3.27Å; S350-T354 WeakPolarHBondContact O-CB 3.46Å; S350-T354 PolarHBondContact O-N 2.84Å; S350-T354 PolarHBondContact O-OG1 2.58Å
351	K	95.5	Very high	93.9	Very high	85 Å²	85	31.4 Å²	31.4	37%	0.37	14%	0.141	S	C	.	.	H	α-helix	trans	-60.8	-52.7	171.4	179.1	173.6	177.5	176.9	0	112.1	A347 L349 V353 T354 E355 V408	A347-K351 VanDerWaalsContact O-CB 3.26Å; A347-K351 WeakPolarHBondContact O-CB 3.45Å; A347-K351 PolarHBondContact O-N 3.43Å; A347-K351 VanDerWaalsContact O-N 3.12Å; L349-K351 PolarHBondContact O-N 2.78Å; K351-V353 PolarHBondContact O-N 2.79Å; K351-T354 PolarHBondContact O-N 3.45Å; K351-E355 WeakPolarHBondContact CE-OE1 3.47Å; K351-E355 WeakPolarHBondContact CE-OE2 3.23Å; K351-E355 HydrophobicContact CG-CG 4.33Å; K351-E355 IonicContact NZ-OE1 2.66Å; K351-E355 WeakPolarHBondContact O-CB 3.11Å; K351-E355 WeakPolarHBondContact O-CG 3.23Å; K351-E355 PolarHBondContact O-N 3.04Å; K351-V408 HydrophobicContact CB-CG2 4.09Å; K351-V408 HydrophobicContact CG-CG1 4.16Å; K351-V408 HydrophobicContact CG-CG2 4.45Å
352	V	95	Very high	94	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-39.1	-178.2	170.6	0	0	0	0	112	I298 L301 R302 N348 L349 E355 T356	I298-V352 HydrophobicContact CG2-CB 4.34Å; I298-V352 HydrophobicContact CG2-CG1 4.35Å; I298-V352 HydrophobicContact CG2-CG2 3.93Å; L301-V352 HydrophobicContact CB-CG1 3.73Å; R302-V352 HydrophobicContact CB-CG1 4.3Å; R302-V352 HydrophobicContact CB-CG2 4.25Å; N348-V352 WeakPolarHBondContact O-CG2 3.39Å; N348-V352 PolarHBondContact O-N 3.29Å; L349-V352 PolarHBondContact O-N 3.18Å; L349-V352 VanDerWaalsContact O-N 3.12Å; V352-E355 PolarHBondContact O-N 3.34Å; V352-T356 VanDerWaalsContact O-CB 3.3Å; V352-T356 WeakPolarHBondContact O-CB 3.44Å; V352-T356 PolarHBondContact O-N 3.27Å; V352-T356 PolarHBondContact O-OG1 3.36Å
353	V	95.8	Very high	93.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-47.7	173.8	169.8	0	0	0	0	110.8	V323 I327 L349 K351 T356 F357 V388	V323-V353 HydrophobicContact CG1-CG1 4.01Å; V323-V353 HydrophobicContact CG1-CG2 3.85Å; I327-V353 HydrophobicContact CD1-CG2 4.46Å; L349-V353 HydrophobicContact CD1-CG2 4.06Å; L349-V353 HydrophobicContact CG-CG2 4.34Å; L349-V353 WeakPolarHBondContact O-CB 3.34Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 3.16Å; K351-V353 PolarHBondContact O-N 2.79Å; V353-T356 PolarHBondContact O-N 3.2Å; V353-F357 HydrophobicContact CG1-CD2 3.73Å; V353-F357 HydrophobicContact CG1-CE2 3.78Å; V353-F357 VanDerWaalsContact O-CD2 3.28Å; V353-F357 WeakPolarHBondContact O-CD2 3.46Å; V353-F357 PolarHBondContact O-N 2.7Å; V353-V388 HydrophobicContact CG1-CG2 4.13Å
354	T	95.3	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-46.8	177.9	-56.7	0	0	0	0	111.9	S350 K351 T356 F357 S358 V408 I413 L415	S350-T354 VanDerWaalsContact O-CB 3.27Å; S350-T354 WeakPolarHBondContact O-CB 3.46Å; S350-T354 PolarHBondContact O-N 2.84Å; S350-T354 PolarHBondContact O-OG1 2.58Å; K351-T354 PolarHBondContact O-N 3.45Å; T354-T356 PolarHBondContact O-N 3.1Å; T354-F357 PolarHBondContact O-N 2.86Å; T354-S358 WeakPolarHBondContact O-CB 3.01Å; T354-S358 PolarHBondContact O-N 3.1Å; T354-V408 HydrophobicContact CG2-CB 4.35Å; T354-V408 HydrophobicContact CG2-CG1 3.85Å; T354-I413 HydrophobicContact CG2-CB 3.86Å; T354-I413 HydrophobicContact CG2-CG2 3.78Å; T354-L415 HydrophobicContact CG2-CB 4.38Å; T354-L415 WeakPolarHBondContact OG1-CD2 3.49Å
355	E	94.6	Very high	93.3	Very high	60 Å²	60	24.9 Å²	24.9	28%	0.28	13%	0.132	S	C	.	.	H	α-helix	trans	-63.7	-41.1	179.2	-73.2	174.9	154.6	0	0	111.9	K351 V352 F359	K351-E355 WeakPolarHBondContact CE-OE1 3.47Å; K351-E355 WeakPolarHBondContact CE-OE2 3.23Å; K351-E355 HydrophobicContact CG-CG 4.33Å; K351-E355 IonicContact NZ-OE1 2.66Å; K351-E355 WeakPolarHBondContact O-CB 3.11Å; K351-E355 WeakPolarHBondContact O-CG 3.23Å; K351-E355 PolarHBondContact O-N 3.04Å; V352-E355 PolarHBondContact O-N 3.34Å; E355-F359 PolarHBondContact O-N 3.36Å
356	T	94	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-49.5	177.8	-56.2	0	0	0	0	111.3	L301 I304 V319 V352 V353 T354 F359 L360	L301-T356 HydrophobicContact CD2-CG2 4.39Å; I304-T356 HydrophobicContact CD1-CG2 4.17Å; V319-T356 HydrophobicContact CG1-CG2 3.81Å; V352-T356 VanDerWaalsContact O-CB 3.3Å; V352-T356 WeakPolarHBondContact O-CB 3.44Å; V352-T356 PolarHBondContact O-N 3.27Å; V352-T356 PolarHBondContact O-OG1 3.36Å; V353-T356 PolarHBondContact O-N 3.2Å; T354-T356 PolarHBondContact O-N 3.1Å; T356-F359 WeakPolarHBondContact O-CB 3.29Å; T356-F359 PolarHBondContact O-N 3.21Å; T356-L360 PolarHBondContact O-N 3.38Å
357	F	94.9	Very high	92.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.9	-32.4	179.4	-74.7	-53.3	0	0	0	113.1	V323 V353 T354 F359 L360 L361 L384 V388 I413	V323-F357 HydrophobicContact CB-CE2 4.23Å; V323-F357 HydrophobicContact CB-CZ 3.98Å; V323-F357 HydrophobicContact CG1-CE2 3.66Å; V323-F357 HydrophobicContact CG1-CZ 3.91Å; V323-F357 HydrophobicContact CG2-CE2 4.4Å; V323-F357 HydrophobicContact CG2-CZ 4.18Å; V353-F357 HydrophobicContact CG1-CD2 3.73Å; V353-F357 HydrophobicContact CG1-CE2 3.78Å; V353-F357 VanDerWaalsContact O-CD2 3.28Å; V353-F357 WeakPolarHBondContact O-CD2 3.46Å; V353-F357 PolarHBondContact O-N 2.7Å; T354-F357 PolarHBondContact O-N 2.86Å; F357-F359 VanDerWaalsContact C-N 3.31Å; F357-F359 PolarHBondContact O-N 3.09Å; F357-L360 HydrophobicContact CD1-CD1 4.04Å; F357-L360 HydrophobicContact CE1-CD1 4.35Å; F357-L360 PolarHBondContact O-N 3.35Å; F357-L361 WeakPolarHBondContact O-CG 3.25Å; F357-L361 PolarHBondContact O-N 3.22Å; F357-L384 HydrophobicContact CB-CD1 3.89Å; F357-L384 HydrophobicContact CB-CD2 4.34Å; F357-L384 HydrophobicContact CB-CG 3.87Å; F357-L384 HydrophobicContact CD1-CB 4.11Å; F357-L384 HydrophobicContact CD1-CD1 3.5Å; F357-L384 VanDerWaalsContact CD1-CD1 3.5Å; F357-L384 HydrophobicContact CD1-CG 3.47Å; F357-L384 VanDerWaalsContact CD1-CG 3.47Å; F357-L384 HydrophobicContact CD2-CG 4.17Å; F357-L384 HydrophobicContact CE1-CB 4.07Å; F357-L384 HydrophobicContact CE1-CD1 4.23Å; F357-L384 HydrophobicContact CE1-CG 3.96Å; F357-L384 HydrophobicContact CG-CD1 3.9Å; F357-L384 HydrophobicContact CG-CD2 4.46Å; F357-L384 HydrophobicContact CG-CG 3.6Å; F357-L384 HydrophobicContact CZ-CB 4.46Å; F357-L384 HydrophobicContact CZ-CG 4.47Å; F357-V388 HydrophobicContact CB-CG2 4.33Å; F357-V388 HydrophobicContact CD2-CG2 3.56Å; F357-V388 HydrophobicContact CE2-CG2 4.25Å; F357-V388 HydrophobicContact CG-CG2 4.32Å; F357-I413 HydrophobicContact CB-CD1 3.67Å
358	S	94.2	Very high	92.3	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-42.5	170.8	-168.2	0	0	0	0	110.8	T354 L361 S362 S410 P411 Q412 I413	T354-S358 WeakPolarHBondContact O-CB 3.01Å; T354-S358 PolarHBondContact O-N 3.1Å; S358-L361 PolarHBondContact O-N 3.01Å; S358-S362 PolarHBondContact O-N 3.47Å; S358-S410 VanDerWaalsContact CB-CB 3.49Å; S358-S410 VanDerWaalsContact OG-CB 3.25Å; S358-S410 WeakPolarHBondContact OG-CB 3.42Å; S358-P411 WeakPolarHBondContact OG-CD 3.13Å; S358-Q412 VanDerWaalsContact O-CD 3.31Å; S358-Q412 PolarHBondContact O-OE1 3.04Å; S358-Q412 WeakPolarHBondContact OG-CB 3.26Å; S358-Q412 PolarHBondContact OG-N 3.44Å; S358-Q412 PolarHBondContact OG-OE1 3.5Å; S358-I413 PolarHBondContact OG-N 2.89Å
359	F	93.3	Very high	92	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.096	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-44.1	172.8	174.1	-101.5	0	0	0	112.4	I304 P305 L311 E355 T356 F357 L361 S362 N365	I304-F359 HydrophobicContact CG2-CD1 3.72Å; I304-F359 HydrophobicContact CG2-CE1 3.67Å; P305-F359 HydrophobicContact CB-CB 3.93Å; P305-F359 HydrophobicContact CB-CD2 4.17Å; P305-F359 HydrophobicContact CB-CG 4.03Å; P305-F359 HydrophobicContact CG-CB 4.04Å; P305-F359 HydrophobicContact CG-CG 4.38Å; L311-F359 HydrophobicContact CD1-CE1 4.01Å; E355-F359 PolarHBondContact O-N 3.36Å; T356-F359 WeakPolarHBondContact O-CB 3.29Å; T356-F359 PolarHBondContact O-N 3.21Å; F357-F359 VanDerWaalsContact C-N 3.31Å; F357-F359 PolarHBondContact O-N 3.09Å; F359-L361 VanDerWaalsContact C-N 3.31Å; F359-L361 PolarHBondContact O-N 2.68Å; F359-S362 VanDerWaalsContact O-CB 3.23Å; F359-S362 WeakPolarHBondContact O-CB 3.43Å; F359-S362 PolarHBondContact O-N 3.26Å; F359-S362 VanDerWaalsContact O-N 3.09Å; F359-S362 PolarHBondContact O-OG 3.18Å; F359-N365 WeakPolarHBondContact CE1-ND2 3.27Å; F359-N365 WeakPolarHBondContact CZ-ND2 3.08Å; F359-N365 PolarHBondContact O-ND2 2.95Å
360	L	92.8	Very high	91.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-35.1	176.5	-66	-171.7	0	0	0	113	L311 I316 V319 T356 F357 S362 N365 W369	L311-L360 HydrophobicContact CD1-CD2 3.55Å; I316-L360 HydrophobicContact CG1-CD2 4.39Å; V319-L360 HydrophobicContact CB-CD1 4.21Å; V319-L360 HydrophobicContact CG1-CD1 3.88Å; T356-L360 PolarHBondContact O-N 3.38Å; F357-L360 HydrophobicContact CD1-CD1 4.04Å; F357-L360 HydrophobicContact CE1-CD1 4.35Å; F357-L360 PolarHBondContact O-N 3.35Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 2.94Å; L360-N365 WeakPolarHBondContact O-CB 3.5Å; L360-W369 HydrophobicContact CB-CZ2 4.49Å; L360-W369 PolarHBondContact O-NE1 2.72Å
361	L	92.8	Very high	90.8	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.8	175.3	-67.7	177.2	0	0	0	114.1	F357 S358 F359 W369 L384 Q412 I413 L466 L469	F357-L361 WeakPolarHBondContact O-CG 3.25Å; F357-L361 PolarHBondContact O-N 3.22Å; S358-L361 PolarHBondContact O-N 3.01Å; F359-L361 VanDerWaalsContact C-N 3.31Å; F359-L361 PolarHBondContact O-N 2.68Å; L361-W369 HydrophobicContact CD2-CZ2 3.98Å; L361-L384 HydrophobicContact CD1-CD1 3.99Å; L361-L384 HydrophobicContact CD1-CD2 4.18Å; L361-L384 HydrophobicContact CD2-CD1 4.07Å; L361-L384 HydrophobicContact CG-CD1 3.87Å; L361-Q412 HydrophobicContact CB-CB 4.03Å; L361-Q412 HydrophobicContact CB-CG 4.22Å; L361-I413 HydrophobicContact CD1-CD1 4.13Å; L361-I413 HydrophobicContact CD1-CG1 4.21Å; L361-L466 HydrophobicContact CD1-CD1 4.33Å; L361-L466 HydrophobicContact CD2-CD1 4.03Å; L361-L469 HydrophobicContact CD2-CD1 3.64Å
362	S	91.6	Very high	90.3	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.063	17%	0.166	C	C	.	.	S	Bend	trans	-64.6	147.9	-177.3	68.6	0	0	0	0	112.5	S358 F359 L360 Q364 N365 L366	S358-S362 PolarHBondContact O-N 3.47Å; F359-S362 VanDerWaalsContact O-CB 3.23Å; F359-S362 WeakPolarHBondContact O-CB 3.43Å; F359-S362 PolarHBondContact O-N 3.26Å; F359-S362 VanDerWaalsContact O-N 3.09Å; F359-S362 PolarHBondContact O-OG 3.18Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 2.94Å; S362-Q364 PolarHBondContact O-N 3.02Å; S362-Q364 WeakPolarHBondContact OG-CG 3.33Å; S362-N365 PolarHBondContact O-N 2.88Å; S362-N365 PolarHBondContact OG-ND2 3.17Å; S362-L366 PolarHBondContact O-N 2.92Å; S362-L366 VanDerWaalsContact O-N 3.09Å
363	P	88.3	Confident	89.6	Confident	106 Å²	106	36.1 Å²	36.1	69%	0.688	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.6	-174.6	-28.7	35.6	0	0	0	115.3
364	Q	86.4	Confident	88.9	Confident	111 Å²	111	38.8 Å²	38.8	52%	0.519	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-40.7	173.4	53.8	-178.9	57.3	0	0	112.5	S362	S362-Q364 PolarHBondContact O-N 3.02Å; S362-Q364 WeakPolarHBondContact OG-CG 3.33Å
365	N	88.5	Confident	88.1	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.064	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.3	-175.8	-66.7	-11.6	0	0	0	112.4	L311 F359 L360 S362 K367 A368	L311-N365 HydrophobicContact CD1-CB 4.35Å; F359-N365 WeakPolarHBondContact CE1-ND2 3.27Å; F359-N365 WeakPolarHBondContact CZ-ND2 3.08Å; F359-N365 PolarHBondContact O-ND2 2.95Å; L360-N365 WeakPolarHBondContact O-CB 3.5Å; S362-N365 PolarHBondContact O-N 2.88Å; S362-N365 PolarHBondContact OG-ND2 3.17Å; N365-K367 PolarHBondContact O-N 3.28Å; N365-A368 VanDerWaalsContact O-CB 3.3Å; N365-A368 WeakPolarHBondContact O-CB 3.15Å; N365-A368 PolarHBondContact O-N 2.7Å
366	L	86.5	Confident	87.5	Confident	45 Å²	45	41.3 Å²	41.3	24%	0.236	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-21.2	175.7	-165.1	68.8	0	0	0	113.5	S362 W369 K370 L469	S362-L366 PolarHBondContact O-N 2.92Å; S362-L366 VanDerWaalsContact O-N 3.09Å; L366-W369 HydrophobicContact CD1-CB 4.41Å; L366-W369 PolarHBondContact O-N 2.95Å; L366-K370 WeakPolarHBondContact O-CG 3.49Å; L366-K370 PolarHBondContact O-N 2.8Å; L366-L469 HydrophobicContact CD1-CD2 4.16Å
367	K	86.1	Confident	87.2	Confident	151 Å²	151	42 Å²	42	66%	0.657	21%	0.209	S	C	*	.	H	α-helix	trans	-60.9	-45.6	170.2	-66.6	-177	179.9	-179.9	0	112	N365 W369 K370 H371	N365-K367 PolarHBondContact O-N 3.28Å; K367-W369 VanDerWaalsContact C-N 3.3Å; K367-W369 PolarHBondContact O-N 2.82Å; K367-K370 PolarHBondContact O-N 2.89Å; K367-K370 VanDerWaalsContact O-N 3.13Å; K367-H371 PolarHBondContact O-CD2 3.41Å; K367-H371 PolarHBondContact O-N 3.33Å; K367-H371 VanDerWaalsContact O-N 3.09Å; K367-H371 PolarHBondContact O-ND1 3.33Å
368	A	87.4	Confident	86.9	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-40.5	178.9	0	0	0	0	0	111.6	L311 I316 N365 H371	L311-A368 HydrophobicContact CB-CB 4.07Å; L311-A368 WeakPolarHBondContact O-CB 3.45Å; I316-A368 HydrophobicContact CD1-CB 3.64Å; N365-A368 VanDerWaalsContact O-CB 3.3Å; N365-A368 WeakPolarHBondContact O-CB 3.15Å; N365-A368 PolarHBondContact O-N 2.7Å; A368-H371 PolarHBondContact O-N 2.99Å
369	W	89.4	Confident	86.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-49.5	171.6	-69.3	89.9	0	0	0	112.4	I316 L360 L361 L366 K367 H371 M372 Q377 A380 A381 L384 L469	I316-W369 HydrophobicContact CD1-CD2 3.9Å; I316-W369 HydrophobicContact CD1-CG 3.8Å; I316-W369 HydrophobicContact CG2-CD2 4.31Å; I316-W369 HydrophobicContact CG2-CE3 4.34Å; I316-W369 HydrophobicContact CG2-CH2 3.63Å; I316-W369 HydrophobicContact CG2-CZ2 3.56Å; I316-W369 HydrophobicContact CG2-CZ3 4.03Å; L360-W369 HydrophobicContact CB-CZ2 4.49Å; L360-W369 PolarHBondContact O-NE1 2.72Å; L361-W369 HydrophobicContact CD2-CZ2 3.98Å; L366-W369 HydrophobicContact CD1-CB 4.41Å; L366-W369 PolarHBondContact O-N 2.95Å; K367-W369 VanDerWaalsContact C-N 3.3Å; K367-W369 PolarHBondContact O-N 2.82Å; W369-H371 PolarHBondContact O-N 3.17Å; W369-H371 VanDerWaalsContact O-N 3.13Å; W369-M372 HydrophobicContact CB-CE 4.44Å; W369-M372 HydrophobicContact CD2-CE 4Å; W369-M372 HydrophobicContact CE3-CE 3.54Å; W369-M372 HydrophobicContact CG-CE 4.4Å; W369-M372 HydrophobicContact CZ3-CE 4.15Å; W369-M372 PolarHBondContact O-N 3.26Å; W369-Q377 VanDerWaalsContact O-CD 3.23Å; W369-Q377 WeakPolarHBondContact O-CG 3.03Å; W369-Q377 PolarHBondContact O-NE2 3.28Å; W369-A380 HydrophobicContact CH2-CB 4.1Å; W369-A380 HydrophobicContact CZ3-CB 3.67Å; W369-A381 HydrophobicContact CZ3-CB 4.28Å; W369-L384 HydrophobicContact CH2-CD1 4.2Å; W369-L384 HydrophobicContact CZ2-CD1 4.11Å; W369-L469 HydrophobicContact CB-CD2 3.69Å; W369-L469 HydrophobicContact CD2-CD1 3.61Å; W369-L469 HydrophobicContact CD2-CD2 4.08Å; W369-L469 HydrophobicContact CE3-CD1 3.53Å; W369-L469 HydrophobicContact CE3-CD2 3.94Å; W369-L469 HydrophobicContact CE3-CG 4.29Å; W369-L469 HydrophobicContact CG-CD1 4.17Å; W369-L469 HydrophobicContact CG-CD2 4.02Å; W369-L469 HydrophobicContact CH2-CD1 4.19Å; W369-L469 HydrophobicContact CZ2-CD1 4.27Å; W369-L469 HydrophobicContact CZ3-CD1 3.82Å
370	K	84.3	Confident	86.2	Confident	130 Å²	130	47.5 Å²	47.5	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-63.1	-17.5	180	-74	179.6	177.9	-171.8	0	114.3	L366 K367	L366-K370 WeakPolarHBondContact O-CG 3.49Å; L366-K370 PolarHBondContact O-N 2.8Å; K367-K370 PolarHBondContact O-N 2.89Å; K367-K370 VanDerWaalsContact O-N 3.13Å
371	H	80.4	Confident	86.2	Confident	47 Å²	47	47.5 Å²	47.5	22%	0.218	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-15.7	175.5	-61.6	162.6	0	0	0	113.9	I271 K367 A368 W369	I271-H371 HydrophobicContact CD1-CB 3.78Å; I271-H371 WeakPolarHBondContact CD1-ND1 3.28Å; I271-H371 HydrophobicContact CG1-CB 3.67Å; K367-H371 PolarHBondContact O-CD2 3.41Å; K367-H371 PolarHBondContact O-N 3.33Å; K367-H371 VanDerWaalsContact O-N 3.09Å; K367-H371 PolarHBondContact O-ND1 3.33Å; A368-H371 PolarHBondContact O-N 2.99Å; W369-H371 PolarHBondContact O-N 3.17Å; W369-H371 VanDerWaalsContact O-N 3.13Å
372	M	83.7	Confident	86	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.025	24%	0.236	C	C	.	.	S	Bend	trans	-80.7	151.4	173.2	-64.4	-172.9	-82.1	0	0	111.4	I316 T317 W369 Q376 Q377	I316-M372 HydrophobicContact CB-CE 4.21Å; I316-M372 HydrophobicContact CD1-CE 3.9Å; I316-M372 HydrophobicContact CG2-CE 4.02Å; T317-M372 HydrophobicContact CG2-SD 4.08Å; W369-M372 HydrophobicContact CB-CE 4.44Å; W369-M372 HydrophobicContact CD2-CE 4Å; W369-M372 HydrophobicContact CE3-CE 3.54Å; W369-M372 HydrophobicContact CG-CE 4.4Å; W369-M372 HydrophobicContact CZ3-CE 4.15Å; W369-M372 PolarHBondContact O-N 3.26Å; M372-Q376 HydrophobicContact CB-CB 4.25Å; M372-Q377 HydrophobicContact CB-CG 3.91Å; M372-Q377 PolarHBondContact O-NE2 2.76Å
373	P	81.9	Confident	85.9	Confident	47 Å²	47	49.8 Å²	49.8	31%	0.305	24%	0.241	S	C	.	.			trans	-54	146.1	165.6	-25.4	34.6	0	0	0	111.5	D270 D375 Q376 Q377	D270-P373 WeakPolarHBondContact OD1-CD 3.38Å; D270-P373 WeakPolarHBondContact OD2-CD 3.29Å; D270-P373 WeakPolarHBondContact OD2-CG 3.38Å; P373-D375 VanDerWaalsContact C-N 3.25Å; P373-D375 PolarHBondContact O-N 3.06Å; P373-Q376 HydrophobicContact CB-CG 4.3Å; P373-Q376 HydrophobicContact CG-CG 4.33Å; P373-Q376 WeakPolarHBondContact O-CB 3.4Å; P373-Q376 PolarHBondContact O-N 2.83Å; P373-Q377 PolarHBondContact O-N 3.42Å
374	F	79.9	Confident	86.2	Confident	56 Å²	56	44.7 Å²	44.7	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-57.2	-39.2	-173.9	-178.6	-105.6	0	0	0	113.2	Q376 Q377 R378 R471 I473	F374-Q376 PolarHBondContact O-N 2.79Å; F374-Q377 WeakPolarHBondContact O-CB 3.37Å; F374-Q377 PolarHBondContact O-N 3.28Å; F374-R378 PolarHBondContact O-N 3.39Å; F374-R471 HydrophobicContact CE2-CB 4.03Å; F374-R471 HydrophobicContact CZ-CB 3.89Å; F374-R471 WeakPolarHBondContact CZ-O 3.49Å; F374-I473 HydrophobicContact CD1-CD1 4.28Å; F374-I473 HydrophobicContact CD1-CG1 4.47Å; F374-I473 HydrophobicContact CE1-CD1 3.84Å; F374-I473 HydrophobicContact CE1-CG1 3.72Å
375	D	78.9	Confident	86.5	Confident	60 Å²	60	39.8 Å²	39.8	32%	0.321	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-41.9	175	-76.2	-41.6	0	0	0	113	P373 R378 Y379 S534 I536	P373-D375 VanDerWaalsContact C-N 3.25Å; P373-D375 PolarHBondContact O-N 3.06Å; D375-R378 PolarHBondContact O-N 2.78Å; D375-Y379 PolarHBondContact O-N 3.04Å; D375-S534 WeakPolarHBondContact OD1-CB 3.25Å; D375-S534 PolarHBondContact OD1-OG 3.05Å; D375-I536 HydrophobicContact CB-CD1 3.4Å; D375-I536 VanDerWaalsContact CB-CD1 3.4Å
376	Q	83.2	Confident	86.7	Confident	54 Å²	54	41 Å²	41	25%	0.252	19%	0.194	S	C	.	.	H	α-helix	trans	-68.9	-38.8	173.6	-64	-171.6	23.6	0	0	112	S272 M372 P373 F374 R378 Y379 A380	S272-Q376 PolarHBondContact OG-NE2 3.48Å; S272-Q376 PolarHBondContact OG-OE1 2.85Å; M372-Q376 HydrophobicContact CB-CB 4.25Å; P373-Q376 HydrophobicContact CB-CG 4.3Å; P373-Q376 HydrophobicContact CG-CG 4.33Å; P373-Q376 WeakPolarHBondContact O-CB 3.4Å; P373-Q376 PolarHBondContact O-N 2.83Å; F374-Q376 PolarHBondContact O-N 2.79Å; Q376-R378 VanDerWaalsContact C-N 3.32Å; Q376-R378 PolarHBondContact O-N 2.04Å; Q376-Y379 PolarHBondContact O-N 3.39Å; Q376-A380 WeakPolarHBondContact O-CB 3.01Å; Q376-A380 PolarHBondContact O-N 3.09Å
377	Q	87.7	Confident	87	Confident	13 Å²	13	38.8 Å²	38.8	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-47	174.2	-65	176.7	34.5	0	0	110.8	W369 M372 P373 F374 A380 A381	W369-Q377 VanDerWaalsContact O-CD 3.23Å; W369-Q377 WeakPolarHBondContact O-CG 3.03Å; W369-Q377 PolarHBondContact O-NE2 3.28Å; M372-Q377 HydrophobicContact CB-CG 3.91Å; M372-Q377 PolarHBondContact O-NE2 2.76Å; P373-Q377 PolarHBondContact O-N 3.42Å; F374-Q377 WeakPolarHBondContact O-CB 3.37Å; F374-Q377 PolarHBondContact O-N 3.28Å; Q377-A380 PolarHBondContact O-N 3.36Å; Q377-A381 VanDerWaalsContact O-CB 3.23Å; Q377-A381 WeakPolarHBondContact O-CB 3.37Å; Q377-A381 PolarHBondContact O-N 3.13Å
378	R	86.6	Confident	87.5	Confident	5 Å²	5	31.6 Å²	31.6	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-47.9	179.1	-166.3	-170.3	-161	83.6	-2.2	111.5	F374 D375 Q376 A381 Q382 L470 R471 W526 G538	F374-R378 PolarHBondContact O-N 3.39Å; D375-R378 PolarHBondContact O-N 2.78Å; Q376-R378 VanDerWaalsContact C-N 3.32Å; Q376-R378 PolarHBondContact O-N 2.04Å; R378-A381 PolarHBondContact O-N 3.44Å; R378-Q382 PolarHBondContact O-N 3.4Å; R378-L470 HydrophobicContact CG-CD2 4.27Å; R378-R471 PolarHBondContact NH1-O 2.89Å; R378-W526 HydrophobicContact CG-CH2 3.95Å; R378-W526 HydrophobicContact CG-CZ2 4.24Å; R378-W526 VanDerWaalsContact CZ-CH2 3.49Å; R378-G538 VanDerWaalsContact CZ-O 3.26Å; R378-G538 PolarHBondContact NE-O 3.45Å; R378-G538 PolarHBondContact NH2-O 2.88Å
379	Y	85.1	Confident	87.8	Confident	133 Å²	133	33.8 Å²	33.8	52%	0.522	16%	0.161	S	C	.	.	H	α-helix	trans	-62.6	-47.4	178.3	177.8	-103.5	0	0	0	112.5	D375 Q376 A381 Q382 L383	D375-Y379 PolarHBondContact O-N 3.04Å; Q376-Y379 PolarHBondContact O-N 3.39Å; Y379-A381 VanDerWaalsContact C-N 3.34Å; Y379-A381 PolarHBondContact O-N 2.87Å; Y379-Q382 PolarHBondContact O-N 2.69Å; Y379-L383 PolarHBondContact O-N 3.38Å
380	A	89.5	Confident	87.9	Confident	1 Å²	1	37 Å²	37	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-37.5	178	0	0	0	0	0	112.3	I316 T317 W369 Q376 Q377 L383 L384	I316-A380 HydrophobicContact CG2-CB 4.41Å; T317-A380 HydrophobicContact CG2-CB 4.45Å; W369-A380 HydrophobicContact CH2-CB 4.1Å; W369-A380 HydrophobicContact CZ3-CB 3.67Å; Q376-A380 WeakPolarHBondContact O-CB 3.01Å; Q376-A380 PolarHBondContact O-N 3.09Å; Q377-A380 PolarHBondContact O-N 3.36Å; A380-L383 PolarHBondContact O-N 3.49Å; A380-L384 WeakPolarHBondContact O-CB 3.42Å; A380-L384 PolarHBondContact O-N 3.04Å
381	A	91.4	Very high	88.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-39.7	174.2	0	0	0	0	0	112.5	W369 Q377 R378 Y379 L384 M385 L466 L469 L470	W369-A381 HydrophobicContact CZ3-CB 4.28Å; Q377-A381 VanDerWaalsContact O-CB 3.23Å; Q377-A381 WeakPolarHBondContact O-CB 3.37Å; Q377-A381 PolarHBondContact O-N 3.13Å; R378-A381 PolarHBondContact O-N 3.44Å; Y379-A381 VanDerWaalsContact C-N 3.34Å; Y379-A381 PolarHBondContact O-N 2.87Å; A381-L384 WeakPolarHBondContact O-CB 3.42Å; A381-L384 PolarHBondContact O-N 3.05Å; A381-M385 WeakPolarHBondContact O-CG 3.44Å; A381-M385 PolarHBondContact O-N 3.36Å; A381-M385 VanDerWaalsContact O-N 3.08Å; A381-L466 HydrophobicContact CB-CD1 3.85Å; A381-L469 HydrophobicContact CB-CB 4.06Å; A381-L469 HydrophobicContact CB-CD1 4.49Å; A381-L470 HydrophobicContact CB-CD2 3.55Å; A381-L470 HydrophobicContact CB-CG 4.13Å
382	Q	89.3	Confident	89.1	Confident	36 Å²	36	28.5 Å²	28.5	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-40.8	173.2	177.7	164	-60.2	0	0	112.3	R378 Y379 L384 M385 S386 S537	R378-Q382 PolarHBondContact O-N 3.4Å; Y379-Q382 PolarHBondContact O-N 2.69Å; Q382-L384 VanDerWaalsContact C-N 3.33Å; Q382-L384 PolarHBondContact O-N 3.47Å; Q382-M385 PolarHBondContact O-N 2.93Å; Q382-S386 WeakPolarHBondContact O-CB 3.36Å; Q382-S386 PolarHBondContact O-N 3.11Å; Q382-S537 PolarHBondContact NE2-OG 3.37Å; Q382-S537 PolarHBondContact OE1-O 2.95Å
383	L	90	Very high	89.6	Confident	30 Å²	30	30.2 Å²	30.2	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-37.9	176.3	-178.1	59.5	0	0	0	111.9	K324 Y379 A380 S387	K324-L383 HydrophobicContact CB-CD1 4.24Å; K324-L383 HydrophobicContact CD-CD1 3.98Å; K324-L383 HydrophobicContact CG-CD1 4.06Å; Y379-L383 PolarHBondContact O-N 3.38Å; A380-L383 PolarHBondContact O-N 3.49Å; L383-S387 VanDerWaalsContact O-CB 3.3Å; L383-S387 WeakPolarHBondContact O-CB 3.44Å; L383-S387 PolarHBondContact O-N 3.35Å; L383-S387 PolarHBondContact O-OG 3.45Å
384	L	93.8	Very high	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-52.9	172.3	178.5	158.9	0	0	0	111.2	F357 L361 W369 A380 A381 Q382 S386 S387 V388 I413 Y463	F357-L384 HydrophobicContact CB-CD1 3.89Å; F357-L384 HydrophobicContact CB-CD2 4.34Å; F357-L384 HydrophobicContact CB-CG 3.87Å; F357-L384 HydrophobicContact CD1-CB 4.11Å; F357-L384 HydrophobicContact CD1-CD1 3.5Å; F357-L384 VanDerWaalsContact CD1-CD1 3.5Å; F357-L384 HydrophobicContact CD1-CG 3.47Å; F357-L384 VanDerWaalsContact CD1-CG 3.47Å; F357-L384 HydrophobicContact CD2-CG 4.17Å; F357-L384 HydrophobicContact CE1-CB 4.07Å; F357-L384 HydrophobicContact CE1-CD1 4.23Å; F357-L384 HydrophobicContact CE1-CG 3.96Å; F357-L384 HydrophobicContact CG-CD1 3.9Å; F357-L384 HydrophobicContact CG-CD2 4.46Å; F357-L384 HydrophobicContact CG-CG 3.6Å; F357-L384 HydrophobicContact CZ-CB 4.46Å; F357-L384 HydrophobicContact CZ-CG 4.47Å; L361-L384 HydrophobicContact CD1-CD1 3.99Å; L361-L384 HydrophobicContact CD1-CD2 4.18Å; L361-L384 HydrophobicContact CD2-CD1 4.07Å; L361-L384 HydrophobicContact CG-CD1 3.87Å; W369-L384 HydrophobicContact CH2-CD1 4.2Å; W369-L384 HydrophobicContact CZ2-CD1 4.11Å; A380-L384 WeakPolarHBondContact O-CB 3.42Å; A380-L384 PolarHBondContact O-N 3.04Å; A381-L384 WeakPolarHBondContact O-CB 3.42Å; A381-L384 PolarHBondContact O-N 3.05Å; Q382-L384 VanDerWaalsContact C-N 3.33Å; Q382-L384 PolarHBondContact O-N 3.47Å; L384-S386 PolarHBondContact O-N 2.84Å; L384-S387 PolarHBondContact O-N 2.84Å; L384-V388 HydrophobicContact CD2-CG2 4.47Å; L384-V388 WeakPolarHBondContact O-CG2 3.16Å; L384-V388 PolarHBondContact O-N 3.09Å; L384-I413 HydrophobicContact CD2-CD1 4.4Å; L384-Y463 HydrophobicContact CD2-CD1 4.07Å; L384-Y463 HydrophobicContact CD2-CE1 3.79Å
385	M	93	Very high	90.7	Very high	7 Å²	7	27 Å²	27	3%	0.034	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-52	178.9	-71.5	170.6	64.9	0	0	111.6	A381 Q382 S387 V388 E389 Y463 L466 L470 V488 S564	A381-M385 WeakPolarHBondContact O-CG 3.44Å; A381-M385 PolarHBondContact O-N 3.36Å; A381-M385 VanDerWaalsContact O-N 3.08Å; Q382-M385 PolarHBondContact O-N 2.93Å; M385-S387 VanDerWaalsContact C-N 3.25Å; M385-S387 PolarHBondContact O-N 2.82Å; M385-V388 PolarHBondContact O-N 2.87Å; M385-E389 WeakPolarHBondContact O-CB 3.23Å; M385-E389 PolarHBondContact O-N 3.35Å; M385-Y463 HydrophobicContact CG-CE2 4.3Å; M385-Y463 PolarHBondContact O-OH 2.8Å; M385-L466 HydrophobicContact CG-CD2 3.61Å; M385-L466 HydrophobicContact SD-CD2 3.73Å; M385-L470 HydrophobicContact SD-CD1 3.65Å; M385-V488 HydrophobicContact CE-CG1 4.3Å; M385-S564 VanDerWaalsContact CE-CB 3.45Å; M385-S564 WeakPolarHBondContact CE-OG 3.3Å
386	S	91.8	Very high	91.3	Very high	37 Å²	37	24.1 Å²	24.1	26%	0.259	11%	0.114	S	C	.	.	H	α-helix	trans	-57.2	-37.9	178.5	169.9	0	0	0	0	112.5	K324 Q382 L384 E390	K324-S386 PolarHBondContact NZ-OG 3.11Å; Q382-S386 WeakPolarHBondContact O-CB 3.36Å; Q382-S386 PolarHBondContact O-N 3.11Å; L384-S386 PolarHBondContact O-N 2.84Å; S386-E390 WeakPolarHBondContact O-CB 3.38Å; S386-E390 WeakPolarHBondContact O-CG 3.29Å; S386-E390 PolarHBondContact O-N 2.89Å
387	S	94	Very high	91.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-73.6	-41	-178.3	-60.9	0	0	0	0	112.6	I327 L383 L384 M385 S391	I327-S387 WeakPolarHBondContact CD1-O 3.19Å; L383-S387 VanDerWaalsContact O-CB 3.3Å; L383-S387 WeakPolarHBondContact O-CB 3.44Å; L383-S387 PolarHBondContact O-N 3.35Å; L383-S387 PolarHBondContact O-OG 3.45Å; L384-S387 PolarHBondContact O-N 2.84Å; M385-S387 VanDerWaalsContact C-N 3.25Å; M385-S387 PolarHBondContact O-N 2.82Å; S387-S391 WeakPolarHBondContact O-CB 3.44Å; S387-S391 PolarHBondContact O-N 3.13Å
388	V	95.6	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-45.8	173.6	-178.8	0	0	0	0	109.8	V353 F357 L384 M385 S391 A392 I413 I461 Y463	V353-V388 HydrophobicContact CG1-CG2 4.13Å; F357-V388 HydrophobicContact CB-CG2 4.33Å; F357-V388 HydrophobicContact CD2-CG2 3.56Å; F357-V388 HydrophobicContact CE2-CG2 4.25Å; F357-V388 HydrophobicContact CG-CG2 4.32Å; L384-V388 HydrophobicContact CD2-CG2 4.47Å; L384-V388 WeakPolarHBondContact O-CG2 3.16Å; L384-V388 PolarHBondContact O-N 3.09Å; M385-V388 PolarHBondContact O-N 2.87Å; V388-S391 PolarHBondContact O-N 3.19Å; V388-S391 PolarHBondContact O-OG 3.37Å; V388-A392 WeakPolarHBondContact O-CB 3.36Å; V388-A392 PolarHBondContact O-N 2.89Å; V388-I413 HydrophobicContact CG1-CG2 4.48Å; V388-I413 HydrophobicContact CG2-CD1 4.36Å; V388-I461 HydrophobicContact CG1-CD1 4.19Å; V388-I461 HydrophobicContact CG1-CG2 4.06Å; V388-Y463 HydrophobicContact CB-CE1 4.32Å; V388-Y463 HydrophobicContact CG1-CE1 4.48Å; V388-Y463 HydrophobicContact CG2-CE1 4.25Å
389	E	93.9	Very high	91.9	Very high	49 Å²	49	23.7 Å²	23.7	23%	0.229	12%	0.123	C	C	.	.	H	α-helix	trans	-57.3	-52	178.1	-168.7	-171.6	133.9	0	0	112.4	M385 S391 A392 L393 I461 V492	M385-E389 WeakPolarHBondContact O-CB 3.23Å; M385-E389 PolarHBondContact O-N 3.35Å; E389-S391 VanDerWaalsContact C-N 3.35Å; E389-S391 PolarHBondContact O-N 3.18Å; E389-A392 PolarHBondContact O-N 3.45Å; E389-L393 HydrophobicContact CG-CD1 4.01Å; E389-L393 HydrophobicContact CG-CG 4.44Å; E389-L393 WeakPolarHBondContact O-CB 3.25Å; E389-L393 WeakPolarHBondContact O-CG 3.5Å; E389-L393 PolarHBondContact O-N 2.82Å; E389-I461 HydrophobicContact CB-CD1 4.18Å; E389-V492 HydrophobicContact CG-CG1 4.36Å; E389-V492 HydrophobicContact CG-CG2 3.87Å
390	E	93	Very high	92	Very high	66 Å²	66	21.6 Å²	21.6	31%	0.308	12%	0.121	S	C	.	.	H	α-helix	trans	-60.3	-41.9	178.3	-79.7	174.2	-171.4	0	0	112.4	K324 I327 S386 A392 L393 M394	K324-E390 IonicContact NZ-OE1 3.75Å; K324-E390 PolarHBondContact NZ-OE1 2.66Å; K324-E390 IonicContact NZ-OE2 2.87Å; K324-E390 PolarHBondContact NZ-OE2 2.84Å; I327-E390 HydrophobicContact CG2-CB 4.09Å; S386-E390 WeakPolarHBondContact O-CB 3.38Å; S386-E390 WeakPolarHBondContact O-CG 3.29Å; S386-E390 PolarHBondContact O-N 2.89Å; E390-A392 VanDerWaalsContact C-N 3.28Å; E390-A392 PolarHBondContact O-N 2.89Å; E390-L393 PolarHBondContact O-N 2.87Å; E390-M394 VanDerWaalsContact O-CG 3.3Å; E390-M394 WeakPolarHBondContact O-CG 3.49Å; E390-M394 PolarHBondContact O-N 3.04Å
391	S	94.8	Very high	91.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-35.9	178	79.1	0	0	0	0	112.3	S387 V388 E389 L395	S387-S391 WeakPolarHBondContact O-CB 3.44Å; S387-S391 PolarHBondContact O-N 3.13Å; V388-S391 PolarHBondContact O-N 3.19Å; V388-S391 PolarHBondContact O-OG 3.37Å; E389-S391 VanDerWaalsContact C-N 3.35Å; E389-S391 PolarHBondContact O-N 3.18Å; S391-L395 PolarHBondContact O-N 2.79Å
392	A	94.7	Very high	91.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-75.4	-38.6	176.9	0	0	0	0	0	112.5	V388 E389 E390 M394 L395 S396 L415 V417 V459	V388-A392 WeakPolarHBondContact O-CB 3.36Å; V388-A392 PolarHBondContact O-N 2.89Å; E389-A392 PolarHBondContact O-N 3.45Å; E390-A392 VanDerWaalsContact C-N 3.28Å; E390-A392 PolarHBondContact O-N 2.89Å; A392-M394 VanDerWaalsContact C-N 3.34Å; A392-L395 PolarHBondContact O-N 2.9Å; A392-S396 WeakPolarHBondContact O-CB 3.48Å; A392-S396 PolarHBondContact O-N 3.25Å; A392-L415 HydrophobicContact CB-CD1 3.51Å; A392-L415 HydrophobicContact CB-CD2 4.1Å; A392-L415 HydrophobicContact CB-CG 4.44Å; A392-V417 HydrophobicContact CB-CG2 3.96Å; A392-V459 HydrophobicContact CB-CG1 3.55Å; A392-V459 HydrophobicContact CB-CG2 4.22Å
393	L	93.1	Very high	91.2	Very high	41 Å²	41	29.3 Å²	29.3	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-42.3	173.8	-75.2	171.4	0	0	0	111.2	E389 E390 S396 A397 V459 V492 P494	E389-L393 HydrophobicContact CG-CD1 4.01Å; E389-L393 HydrophobicContact CG-CG 4.44Å; E389-L393 WeakPolarHBondContact O-CB 3.25Å; E389-L393 WeakPolarHBondContact O-CG 3.5Å; E389-L393 PolarHBondContact O-N 2.82Å; E390-L393 PolarHBondContact O-N 2.87Å; L393-S396 PolarHBondContact O-N 2.8Å; L393-S396 PolarHBondContact O-OG 2.94Å; L393-A397 PolarHBondContact O-N 3.37Å; L393-V459 HydrophobicContact CD2-CG2 4.25Å; L393-V492 HydrophobicContact CD1-CG2 4.39Å; L393-V492 HydrophobicContact CD2-CB 4.42Å; L393-V492 HydrophobicContact CD2-CG2 3.72Å; L393-V492 HydrophobicContact CG-CG2 4.08Å; L393-P494 HydrophobicContact CD2-CB 3.83Å
394	M	91.6	Very high	91.2	Very high	34 Å²	34	29.4 Å²	29.4	17%	0.167	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-45.3	174.3	-69.9	174	-167.6	0	0	112.6	I327 T331 Y346 E390 A392 S396 A397 S398	I327-M394 HydrophobicContact CG2-CE 3.36Å; I327-M394 HydrophobicContact CG2-SD 3.93Å; T331-M394 HydrophobicContact CG2-CE 4.46Å; T331-M394 WeakPolarHBondContact OG1-CE 3.37Å; T331-M394 PolarHBondContact OG1-SD 3.2Å; T331-M394 VanDerWaalsContact OG1-SD 3.34Å; Y346-M394 HydrophobicContact CD1-CB 3.68Å; Y346-M394 HydrophobicContact CD1-SD 4.46Å; Y346-M394 HydrophobicContact CD2-CB 4.45Å; Y346-M394 HydrophobicContact CE1-CB 3.76Å; Y346-M394 HydrophobicContact CE1-CG 4.24Å; Y346-M394 HydrophobicContact CE1-SD 4.03Å; Y346-M394 HydrophobicContact CE2-CB 4.49Å; Y346-M394 HydrophobicContact CG-CB 4.08Å; E390-M394 VanDerWaalsContact O-CG 3.3Å; E390-M394 WeakPolarHBondContact O-CG 3.49Å; E390-M394 PolarHBondContact O-N 3.04Å; A392-M394 VanDerWaalsContact C-N 3.34Å; M394-S396 VanDerWaalsContact C-N 3.35Å; M394-S396 PolarHBondContact O-N 3.16Å; M394-A397 WeakPolarHBondContact O-CB 3.35Å; M394-A397 PolarHBondContact O-N 2.72Å; M394-S398 PolarHBondContact O-N 3.2Å
395	L	93.9	Very high	91	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-48.1	172.6	173.1	59	0	0	0	111	R343 A347 S391 A392 A397 S398 M399 H406 V417	R343-L395 HydrophobicContact CG-CD1 4.24Å; A347-L395 HydrophobicContact CB-CD1 3.89Å; A347-L395 HydrophobicContact CB-CD2 4.44Å; S391-L395 PolarHBondContact O-N 2.79Å; A392-L395 PolarHBondContact O-N 2.9Å; L395-A397 VanDerWaalsContact C-N 3.29Å; L395-A397 PolarHBondContact O-N 2.92Å; L395-S398 CarbonylContact O-C 3.51Å; L395-S398 PolarHBondContact O-N 2.9Å; L395-S398 PolarHBondContact O-OG 3.03Å; L395-M399 HydrophobicContact CD1-CE 4.23Å; L395-M399 HydrophobicContact CD2-CE 4.27Å; L395-M399 HydrophobicContact CG-CE 4.07Å; L395-M399 PolarHBondContact O-N 2.8Å; L395-H406 HydrophobicContact CD2-CB 4.04Å; L395-H406 WeakPolarHBondContact CD2-ND1 3.47Å; L395-V417 HydrophobicContact CD2-CB 4.19Å; L395-V417 HydrophobicContact CD2-CG2 4.06Å; L395-V417 HydrophobicContact CG-CG1 4.4Å
396	S	92.2	Very high	91	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-38.2	-179.8	82.3	0	0	0	0	112.1	A392 L393 M394 S398 M399 V417 K457 P494	A392-S396 WeakPolarHBondContact O-CB 3.48Å; A392-S396 PolarHBondContact O-N 3.25Å; L393-S396 PolarHBondContact O-N 2.8Å; L393-S396 PolarHBondContact O-OG 2.94Å; M394-S396 VanDerWaalsContact C-N 3.35Å; M394-S396 PolarHBondContact O-N 3.16Å; S396-S398 VanDerWaalsContact C-N 3.26Å; S396-S398 PolarHBondContact O-N 2.88Å; S396-M399 PolarHBondContact O-N 3.46Å; S396-V417 VanDerWaalsContact CB-CG1 3.43Å; S396-K457 WeakPolarHBondContact O-CD 3.34Å; S396-K457 WeakPolarHBondContact O-CE 3.47Å; S396-K457 PolarHBondContact O-NZ 2.92Å; S396-P494 WeakPolarHBondContact OG-CB 3.38Å; S396-P494 VanDerWaalsContact OG-CG 3.29Å; S396-P494 WeakPolarHBondContact OG-CG 3.39Å
397	A	89.2	Confident	91	Very high	63 Å²	63	36.1 Å²	36.1	52%	0.521	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-40.2	175.5	0	0	0	0	0	111.5	L393 M394 L395 M399 K457	L393-A397 PolarHBondContact O-N 3.37Å; M394-A397 WeakPolarHBondContact O-CB 3.35Å; M394-A397 PolarHBondContact O-N 2.72Å; L395-A397 VanDerWaalsContact C-N 3.29Å; L395-A397 PolarHBondContact O-N 2.92Å; A397-M399 PolarHBondContact O-N 2.88Å; A397-K457 PolarHBondContact O-NZ 2.89Å
398	S	90	Very high	90.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5	178.2	73.3	0	0	0	0	116.6	Y339 R343 M394 L395 S396	Y339-S398 WeakPolarHBondContact CE1-O 3.45Å; Y339-S398 VanDerWaalsContact OH-C 3.23Å; Y339-S398 PolarHBondContact OH-O 2.79Å; R343-S398 WeakPolarHBondContact CA-OG 3.18Å; M394-S398 PolarHBondContact O-N 3.2Å; L395-S398 CarbonylContact O-C 3.51Å; L395-S398 PolarHBondContact O-N 2.9Å; L395-S398 PolarHBondContact O-OG 3.03Å; S396-S398 VanDerWaalsContact C-N 3.26Å; S396-S398 PolarHBondContact O-N 2.88Å
399	M	90.3	Very high	90.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-89.1	141	173	-72.2	178.1	163.8	0	0	112.5	Y339 L395 S396 A397 H406 V417 T419 K457	Y339-M399 PolarHBondContact OH-O 3.05Å; L395-M399 HydrophobicContact CD1-CE 4.23Å; L395-M399 HydrophobicContact CD2-CE 4.27Å; L395-M399 HydrophobicContact CG-CE 4.07Å; L395-M399 PolarHBondContact O-N 2.8Å; S396-M399 PolarHBondContact O-N 3.46Å; A397-M399 PolarHBondContact O-N 2.88Å; M399-H406 HydrophobicContact CE-CB 3.45Å; M399-H406 VanDerWaalsContact CE-CB 3.45Å; M399-V417 HydrophobicContact CE-CB 4.11Å; M399-V417 HydrophobicContact CE-CG1 3.98Å; M399-V417 WeakPolarHBondContact CE-O 3.15Å; M399-V417 HydrophobicContact SD-CB 4.42Å; M399-V417 HydrophobicContact SD-CG1 3.7Å; M399-T419 HydrophobicContact CB-CG2 3.51Å; M399-T419 HydrophobicContact CG-CG2 4.36Å; M399-T419 HydrophobicContact SD-CG2 3.94Å; M399-K457 WeakPolarHBondContact O-CE 3.37Å; M399-K457 PolarHBondContact O-NZ 3.27Å
400	L	87	Confident	90.6	Very high	89 Å²	89	40.5 Å²	40.5	47%	0.466	24%	0.238	S	C	.	.			trans	-72	158.6	-179.7	-73.8	172.3	0	0	0	110.9	Y339 A402 T419	Y339-L400 HydrophobicContact CD1-CD2 4.27Å; Y339-L400 HydrophobicContact CD1-CG 4.47Å; Y339-L400 HydrophobicContact CE1-CD1 4.4Å; Y339-L400 HydrophobicContact CE1-CD2 3.54Å; Y339-L400 HydrophobicContact CE1-CG 3.57Å; Y339-L400 HydrophobicContact CE2-CD2 4.43Å; Y339-L400 WeakPolarHBondContact OH-CA 3.23Å; Y339-L400 PolarHBondContact OH-N 2.79Å; Y339-L400 VanDerWaalsContact OH-N 3.08Å; L400-A402 HydrophobicContact CB-CB 4.44Å; L400-A402 PolarHBondContact O-N 2.86Å; L400-T419 PolarHBondContact O-OG1 2.87Å
401	P	83.7	Confident	90.4	Very high	82 Å²	82	42.4 Å²	42.4	53%	0.532	26%	0.257	S	S	.	.	S	Bend	trans	-74.1	67	167.8	33.1	-35.4	0	0	0	110.3	W455	P401-W455 HydrophobicContact CB-CB 4.13Å; P401-W455 HydrophobicContact CB-CG 4.09Å; P401-W455 PolarHBondContact O-NE1 3.29Å
402	A	85.4	Confident	90.3	Very high	40 Å²	40	43.8 Å²	43.8	33%	0.331	26%	0.263	S	S	.	.	S	Bend	trans	-145.1	167.2	177.2	0	0	0	0	0	108.9	L400 D404 T419	L400-A402 HydrophobicContact CB-CB 4.44Å; L400-A402 PolarHBondContact O-N 2.86Å; A402-D404 PolarHBondContact O-N 2.99Å; A402-D404 VanDerWaalsContact O-N 3.14Å; A402-T419 PolarHBondContact O-OG1 3.07Å
403	A	85.1	Confident	90.3	Very high	77 Å²	77	43.8 Å²	43.8	64%	0.636	26%	0.263	S	S	*	.	S	Bend	trans	-68.1	111.9	177.7	0	0	0	0	0	109.6	T419 W455	A403-T419 WeakPolarHBondContact CA-O 3.47Å; A403-W455 HydrophobicContact CB-CH2 4.13Å; A403-W455 HydrophobicContact CB-CZ3 3.81Å
404	D	88.6	Confident	90.3	Very high	33 Å²	33	43 Å²	43	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.7	-172.1	-148.2	-22.2	0	0	0	110.4	R343 A402 S418 T419	R343-D404 IonicContact CZ-OD1 2.8Å; R343-D404 IonicContact CZ-OD2 2.79Å; R343-D404 IonicContact NH1-OD1 3.28Å; R343-D404 IonicContact NH1-OD2 3.82Å; R343-D404 PolarHBondContact NH1-OD2 2.97Å; R343-D404 IonicContact NH2-OD1 3.72Å; R343-D404 PolarHBondContact NH2-OD1 3.09Å; R343-D404 IonicContact NH2-OD2 3.21Å; R343-D404 PolarHBondContact NH2-OD2 2.86Å; A402-D404 PolarHBondContact O-N 2.99Å; A402-D404 VanDerWaalsContact O-N 3.14Å; D404-S418 CarbonylContact O-C 3.49Å; D404-S418 WeakPolarHBondContact O-CA 3.41Å; D404-T419 WeakPolarHBondContact CB-OG1 3.2Å; D404-T419 PolarHBondContact N-O 3.39Å; D404-T419 PolarHBondContact O-N 3.48Å
405	T	89.9	Confident	90.5	Very high	78 Å²	78	41.4 Å²	41.4	48%	0.479	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.1	177.9	66.6	0	0	0	0	110.6	V417 S418	T405-V417 CarbonylContact C-O 3.57Å; T405-V417 WeakPolarHBondContact CA-O 3.47Å; T405-S418 WeakPolarHBondContact CG2-OG 3.36Å
406	H	92.5	Very high	90.5	Very high	46 Å²	46	41.5 Å²	41.5	21%	0.213	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	112.5	173.5	-176.8	-91	0	0	0	109.5	L395 M399 V417	L395-H406 HydrophobicContact CD2-CB 4.04Å; L395-H406 WeakPolarHBondContact CD2-ND1 3.47Å; M399-H406 HydrophobicContact CE-CB 3.45Å; M399-H406 VanDerWaalsContact CE-CB 3.45Å; H406-V417 PolarHBondContact N-O 2.9Å; H406-V417 PolarHBondContact O-N 3.03Å
407	T	92.1	Very high	90.6	Very high	60 Å²	60	41.5 Å²	41.5	37%	0.368	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.9	179.8	57.7	0	0	0	0	111.4	W409 L415 E416	T407-W409 PolarHBondContact OG1-NE1 3.31Å; T407-L415 CarbonylContact C-O 3.57Å; T407-L415 VanDerWaalsContact CA-O 3.28Å; T407-L415 WeakPolarHBondContact CA-O 3.38Å; T407-E416 HydrophobicContact CG2-CB 4.04Å; T407-E416 HydrophobicContact CG2-CG 3.79Å
408	V	93.3	Very high	90.6	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115	168.4	-175.6	0	0	0	0	108	K351 T354 L415	K351-V408 HydrophobicContact CB-CG2 4.09Å; K351-V408 HydrophobicContact CG-CG1 4.16Å; K351-V408 HydrophobicContact CG-CG2 4.45Å; T354-V408 HydrophobicContact CG2-CB 4.35Å; T354-V408 HydrophobicContact CG2-CG1 3.85Å; V408-L415 HydrophobicContact CB-CB 4.27Å; V408-L415 HydrophobicContact CG2-CD2 4.37Å; V408-L415 PolarHBondContact N-O 2.93Å; V408-L415 PolarHBondContact O-N 3.47Å
409	W	90.2	Very high	90.6	Very high	122 Å²	122	38.5 Å²	38.5	46%	0.462	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.1	177.8	-69.1	91.5	0	0	0	109.2	T407 V414 P429 S431	T407-W409 PolarHBondContact OG1-NE1 3.31Å; W409-V414 HydrophobicContact CD2-CG1 4.15Å; W409-V414 HydrophobicContact CE3-CB 4.39Å; W409-V414 HydrophobicContact CE3-CG1 3.76Å; W409-V414 HydrophobicContact CE3-CG2 3.69Å; W409-V414 HydrophobicContact CH2-CG1 3.66Å; W409-V414 HydrophobicContact CZ2-CG1 4.09Å; W409-V414 HydrophobicContact CZ3-CB 4.26Å; W409-V414 HydrophobicContact CZ3-CG1 3.51Å; W409-V414 HydrophobicContact CZ3-CG2 3.67Å; W409-P429 HydrophobicContact CH2-CB 4.34Å; W409-S431 VanDerWaalsContact CH2-OG 3.24Å; W409-S431 WeakPolarHBondContact CH2-OG 3.34Å
410	S	91.6	Very high	90.3	Very high	13 Å²	13	39.7 Å²	39.7	9%	0.091	24%	0.235	C	C	.	.			trans	-119.3	157	169.7	-55.6	0	0	0	0	110.1	S358 Q412 I413	S358-S410 VanDerWaalsContact CB-CB 3.49Å; S358-S410 VanDerWaalsContact OG-CB 3.25Å; S358-S410 WeakPolarHBondContact OG-CB 3.42Å; S410-Q412 PolarHBondContact O-N 2.76Å; S410-I413 CarbonylContact C-O 3.58Å; S410-I413 WeakPolarHBondContact CA-O 3.16Å; S410-I413 WeakPolarHBondContact CB-O 3.42Å; S410-I413 PolarHBondContact N-O 3.03Å; S410-I413 PolarHBondContact O-N 3.48Å; S410-I413 VanDerWaalsContact O-O 3.06Å
411	P	90.1	Very high	90.1	Very high	107 Å²	107	37.3 Å²	37.3	70%	0.695	23%	0.225	S	C	*	.	S	Bend	trans	-68.3	-19.3	-167.4	-20	32.8	0	0	0	115	S358	S358-P411 WeakPolarHBondContact OG-CD 3.13Å
412	Q	92.5	Very high	89.5	Confident	29 Å²	29	37.8 Å²	37.8	14%	0.136	22%	0.221	C	C	.	.	S	Bend	trans	-116.5	-19.1	178.2	-63.1	75.2	18.2	0	0	113	S358 L361 S410 N464	S358-Q412 VanDerWaalsContact O-CD 3.31Å; S358-Q412 PolarHBondContact O-OE1 3.04Å; S358-Q412 WeakPolarHBondContact OG-CB 3.26Å; S358-Q412 PolarHBondContact OG-N 3.44Å; S358-Q412 PolarHBondContact OG-OE1 3.5Å; L361-Q412 HydrophobicContact CB-CB 4.03Å; L361-Q412 HydrophobicContact CB-CG 4.22Å; S410-Q412 PolarHBondContact O-N 2.76Å; Q412-N464 PolarHBondContact O-N 3.21Å
413	I	94.5	Very high	88.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.1	179.3	-49.7	179.1	0	0	0	109.8	T354 F357 S358 L361 L384 V388 S410 I461 S462 Y463	T354-I413 HydrophobicContact CG2-CB 3.86Å; T354-I413 HydrophobicContact CG2-CG2 3.78Å; F357-I413 HydrophobicContact CB-CD1 3.67Å; S358-I413 PolarHBondContact OG-N 2.89Å; L361-I413 HydrophobicContact CD1-CD1 4.13Å; L361-I413 HydrophobicContact CD1-CG1 4.21Å; L384-I413 HydrophobicContact CD2-CD1 4.4Å; V388-I413 HydrophobicContact CG1-CG2 4.48Å; V388-I413 HydrophobicContact CG2-CD1 4.36Å; S410-I413 CarbonylContact C-O 3.58Å; S410-I413 WeakPolarHBondContact CA-O 3.16Å; S410-I413 WeakPolarHBondContact CB-O 3.42Å; S410-I413 PolarHBondContact N-O 3.03Å; S410-I413 PolarHBondContact O-N 3.48Å; S410-I413 VanDerWaalsContact O-O 3.06Å; I413-I461 HydrophobicContact CG2-CG2 3.82Å; I413-S462 WeakPolarHBondContact CA-O 3.4Å; I413-Y463 HydrophobicContact CD1-CD1 3.94Å; I413-Y463 HydrophobicContact CD1-CE1 4.09Å; I413-Y463 HydrophobicContact CG1-CD1 3.9Å; I413-Y463 HydrophobicContact CG1-CE1 4.44Å; I413-Y463 HydrophobicContact CG2-CD1 4.02Å; I413-Y463 HydrophobicContact CG2-CE1 4.06Å
414	V	93.5	Very high	87.9	Confident	25 Å²	25	43.8 Å²	43.8	15%	0.152	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.4	171	178.7	0	0	0	0	108	W409 I461 S462	W409-V414 HydrophobicContact CD2-CG1 4.15Å; W409-V414 HydrophobicContact CE3-CB 4.39Å; W409-V414 HydrophobicContact CE3-CG1 3.76Å; W409-V414 HydrophobicContact CE3-CG2 3.69Å; W409-V414 HydrophobicContact CH2-CG1 3.66Å; W409-V414 HydrophobicContact CZ2-CG1 4.09Å; W409-V414 HydrophobicContact CZ3-CB 4.26Å; W409-V414 HydrophobicContact CZ3-CG1 3.51Å; W409-V414 HydrophobicContact CZ3-CG2 3.67Å; V414-I461 CarbonylContact O-C 3.4Å; V414-I461 VanDerWaalsContact O-CA 3.29Å; V414-I461 WeakPolarHBondContact O-CA 3.43Å; V414-S462 PolarHBondContact N-O 3.49Å; V414-S462 PolarHBondContact O-N 3.02Å
415	L	94.9	Very high	87.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.8	178.3	165.9	65.4	0	0	0	109.4	T354 A392 T407 V408 V417 V459 I461	T354-L415 HydrophobicContact CG2-CB 4.38Å; T354-L415 WeakPolarHBondContact OG1-CD2 3.49Å; A392-L415 HydrophobicContact CB-CD1 3.51Å; A392-L415 HydrophobicContact CB-CD2 4.1Å; A392-L415 HydrophobicContact CB-CG 4.44Å; T407-L415 CarbonylContact C-O 3.57Å; T407-L415 VanDerWaalsContact CA-O 3.28Å; T407-L415 WeakPolarHBondContact CA-O 3.38Å; V408-L415 HydrophobicContact CB-CB 4.27Å; V408-L415 HydrophobicContact CG2-CD2 4.37Å; V408-L415 PolarHBondContact N-O 2.93Å; V408-L415 PolarHBondContact O-N 3.47Å; L415-V417 HydrophobicContact CD1-CG2 3.87Å; L415-V417 HydrophobicContact CG-CG2 4.28Å; L415-V459 HydrophobicContact CD1-CG1 3.94Å; L415-I461 HydrophobicContact CD1-CD1 4.47Å; L415-I461 HydrophobicContact CD1-CG1 3.93Å
416	E	93.9	Very high	86.9	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.7	171.9	177.5	170.5	165.8	0	0	109.7	T407 S418 Y428 P429 T430 Y460	T407-E416 HydrophobicContact CG2-CB 4.04Å; T407-E416 HydrophobicContact CG2-CG 3.79Å; E416-S418 WeakPolarHBondContact CG-OG 3.37Å; E416-S418 PolarHBondContact OE1-OG 3.38Å; E416-S418 VanDerWaalsContact OE1-OG 3.1Å; E416-Y428 HydrophobicContact CG-CD1 4.29Å; E416-Y428 HydrophobicContact CG-CE1 4.41Å; E416-P429 WeakPolarHBondContact OE2-CA 3.47Å; E416-T430 WeakPolarHBondContact OE1-CB 3.39Å; E416-T430 PolarHBondContact OE1-OG1 2.96Å; E416-T430 PolarHBondContact OE2-N 3.43Å; E416-Y460 HydrophobicContact CB-CD1 4.3Å; E416-Y460 PolarHBondContact N-O 2.78Å; E416-Y460 PolarHBondContact O-N 3.11Å
417	V	93.7	Very high	86.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.4	173.9	-174	0	0	0	0	107.9	A392 L395 S396 M399 T405 H406 L415 V459	A392-V417 HydrophobicContact CB-CG2 3.96Å; L395-V417 HydrophobicContact CD2-CB 4.19Å; L395-V417 HydrophobicContact CD2-CG2 4.06Å; L395-V417 HydrophobicContact CG-CG1 4.4Å; S396-V417 VanDerWaalsContact CB-CG1 3.43Å; M399-V417 HydrophobicContact CE-CB 4.11Å; M399-V417 HydrophobicContact CE-CG1 3.98Å; M399-V417 WeakPolarHBondContact CE-O 3.15Å; M399-V417 HydrophobicContact SD-CB 4.42Å; M399-V417 HydrophobicContact SD-CG1 3.7Å; T405-V417 CarbonylContact C-O 3.57Å; T405-V417 WeakPolarHBondContact CA-O 3.47Å; H406-V417 PolarHBondContact N-O 2.9Å; H406-V417 PolarHBondContact O-N 3.03Å; L415-V417 HydrophobicContact CD1-CG2 3.87Å; L415-V417 HydrophobicContact CG-CG2 4.28Å; V417-V459 HydrophobicContact CG1-CG2 4.18Å; V417-V459 HydrophobicContact CG2-CG1 4.44Å; V417-V459 HydrophobicContact CG2-CG2 4.2Å
418	S	90.8	Very high	86.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.7	-169.1	-63	0	0	0	0	111.7	D404 T405 E416 K457 L458	D404-S418 CarbonylContact O-C 3.49Å; D404-S418 WeakPolarHBondContact O-CA 3.41Å; T405-S418 WeakPolarHBondContact CG2-OG 3.36Å; E416-S418 WeakPolarHBondContact CG-OG 3.37Å; E416-S418 PolarHBondContact OE1-OG 3.38Å; E416-S418 VanDerWaalsContact OE1-OG 3.1Å; S418-K457 WeakPolarHBondContact O-CA 3.46Å; S418-L458 PolarHBondContact N-O 2.71Å; S418-L458 PolarHBondContact O-N 3.03Å
419	T	89.5	Confident	86.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.6	168.5	58	0	0	0	0	108.6	M399 L400 A402 A403 D404 F456 K457	M399-T419 HydrophobicContact CB-CG2 3.51Å; M399-T419 HydrophobicContact CG-CG2 4.36Å; M399-T419 HydrophobicContact SD-CG2 3.94Å; L400-T419 PolarHBondContact O-OG1 2.87Å; A402-T419 PolarHBondContact O-OG1 3.07Å; A403-T419 WeakPolarHBondContact CA-O 3.47Å; D404-T419 WeakPolarHBondContact CB-OG1 3.2Å; D404-T419 PolarHBondContact N-O 3.39Å; D404-T419 PolarHBondContact O-N 3.48Å; T419-F456 WeakPolarHBondContact CA-O 3.31Å; T419-K457 HydrophobicContact CG2-CB 4.02Å; T419-K457 HydrophobicContact CG2-CD 3.79Å; T419-K457 HydrophobicContact CG2-CG 3.61Å
420	V	84.6	Confident	85.9	Confident	24 Å²	24	39.7 Å²	39.7	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.8	-168.5	-57	0	0	0	0	110	L426 F456	V420-L426 HydrophobicContact CG2-CD2 3.68Å; V420-F456 HydrophobicContact CG2-CD1 4.26Å; V420-F456 HydrophobicContact CG2-CE1 3.36Å; V420-F456 HydrophobicContact CG2-CE2 3.85Å; V420-F456 HydrophobicContact CG2-CZ 3.09Å; V420-F456 PolarHBondContact N-O 3.46Å; V420-F456 VanDerWaalsContact N-O 3.15Å; V420-F456 PolarHBondContact O-N 3.39Å
421	P	81.1	Confident	85.2	Confident	40 Å²	40	40.4 Å²	40.4	26%	0.26	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	154.4	-178.5	31.8	-29.9	0	0	0	108.9	Q423 W455	P421-Q423 HydrophobicContact CG-CG 4.47Å; P421-Q423 PolarHBondContact O-N 3.5Å; P421-Q423 VanDerWaalsContact O-N 3.08Å; P421-W455 HydrophobicContact CB-CD2 4.46Å; P421-W455 HydrophobicContact CB-CE3 3.93Å; P421-W455 HydrophobicContact CB-CH2 4.08Å; P421-W455 HydrophobicContact CB-CZ3 3.71Å; P421-W455 HydrophobicContact CG-CE3 4.49Å; P421-W455 HydrophobicContact CG-CH2 4.37Å; P421-W455 HydrophobicContact CG-CZ3 3.92Å
422	M	71.9	Confident	84.6	Confident	91 Å²	91	35.7 Å²	35.7	45%	0.448	19%	0.187	S	C	.	.			trans	-62.3	113	177.5	-162.7	171.1	-175.9	0	0	110.7	V449 R454	M422-V449 HydrophobicContact CE-CB 4.12Å; M422-V449 HydrophobicContact CE-CG1 4.36Å; M422-V449 HydrophobicContact CE-CG2 3.58Å; M422-R454 PolarHBondContact N-O 3.16Å
423	Q	71.8	Confident	83.6	Confident	110 Å²	110	39.4 Å²	39.4	51%	0.514	21%	0.207	S	C	.	.			trans	-128.5	148.7	178.4	-66.6	-176.8	14.4	0	0	109.3	P421 H425 L426 A445	P421-Q423 HydrophobicContact CG-CG 4.47Å; P421-Q423 PolarHBondContact O-N 3.5Å; P421-Q423 VanDerWaalsContact O-N 3.08Å; Q423-H425 PolarHBondContact O-N 2.84Å; Q423-L426 HydrophobicContact CB-CD2 4.37Å; Q423-A445 WeakPolarHBondContact O-CB 3.48Å
424	N	65.4	Low	82.5	Confident	133 Å²	133	49.1 Å²	49.1	71%	0.711	25%	0.246	S	C	*	.	S	Bend	trans	-48.8	-40.2	-172.2	-68.2	7.2	0	0	0	114.7	A445	N424-A445 PolarHBondContact O-N 3.17Å
425	H	74.2	Confident	81.4	Confident	129 Å²	129	54.7 Å²	54.7	60%	0.597	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.6	175.8	-57.1	-66.1	0	0	0	110.6	Q423	Q423-H425 PolarHBondContact O-N 2.84Å
426	L	82.5	Confident	79.8	Confident	17 Å²	17	63.1 Å²	63.1	9%	0.089	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.9	-177.1	-60.7	135.5	0	0	0	108.6	V420 Q423 Y428 R442 L443 F456	V420-L426 HydrophobicContact CG2-CD2 3.68Å; Q423-L426 HydrophobicContact CB-CD2 4.37Å; L426-Y428 HydrophobicContact CB-CE2 4.05Å; L426-R442 WeakPolarHBondContact O-CA 3.45Å; L426-L443 PolarHBondContact N-O 3.15Å; L426-L443 PolarHBondContact O-N 3.23Å; L426-F456 HydrophobicContact CD1-CE1 3.49Å; L426-F456 VanDerWaalsContact CD1-CE1 3.49Å; L426-F456 HydrophobicContact CD1-CE2 4.23Å; L426-F456 HydrophobicContact CD1-CZ 3.22Å; L426-F456 HydrophobicContact CD2-CE1 3.92Å; L426-F456 HydrophobicContact CD2-CZ 3.64Å; L426-F456 HydrophobicContact CG-CE1 4.29Å; L426-F456 HydrophobicContact CG-CZ 3.93Å
427	Q	87	Confident	78.1	Confident	45 Å²	45	67.4 Å²	67.4	21%	0.21	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.4	-175.7	-167.9	174.5	-57.7	0	0	111.7	S432 V441 R442	Q427-S432 PolarHBondContact NE2-OG 3.49Å; Q427-V441 CarbonylContact C-O 3.48Å; Q427-V441 VanDerWaalsContact CA-O 3.26Å; Q427-V441 WeakPolarHBondContact CA-O 3.02Å; Q427-R442 HydrophobicContact CG-CG 4.27Å
428	Y	87.9	Confident	77	Confident	6 Å²	6	68.9 Å²	68.9	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.9	179.6	-68.1	-93.5	0	0	0	111.1	E416 L426 T440 V441 L443 L458	E416-Y428 HydrophobicContact CG-CD1 4.29Å; E416-Y428 HydrophobicContact CG-CE1 4.41Å; L426-Y428 HydrophobicContact CB-CE2 4.05Å; Y428-T440 CarbonylContact O-C 3.47Å; Y428-T440 WeakPolarHBondContact O-CA 3.43Å; Y428-V441 PolarHBondContact N-O 2.76Å; Y428-V441 PolarHBondContact O-N 2.7Å; Y428-L443 HydrophobicContact CD2-CD1 3.6Å; Y428-L443 HydrophobicContact CE2-CD1 4.01Å; Y428-L458 HydrophobicContact CD1-CD2 4.38Å; Y428-L458 HydrophobicContact CD2-CD2 3.63Å; Y428-L458 HydrophobicContact CE1-CD2 4.1Å; Y428-L458 HydrophobicContact CE2-CD2 3.3Å; Y428-L458 HydrophobicContact CG-CD2 4.16Å
429	P	88	Confident	76.8	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.019	34%	0.34	C	S	.	.	S	Bend	cis	-66.2	155.2	-11.4	31	-32.5	0	0	0	109.8	W409 E416 S431 S432 D438 D439 Y460	W409-P429 HydrophobicContact CH2-CB 4.34Å; E416-P429 WeakPolarHBondContact OE2-CA 3.47Å; P429-S431 WeakPolarHBondContact CG-OG 3.2Å; P429-S431 PolarHBondContact O-N 3.11Å; P429-S432 VanDerWaalsContact O-CB 3.31Å; P429-S432 WeakPolarHBondContact O-CB 3.46Å; P429-S432 PolarHBondContact O-N 3.36Å; P429-S432 PolarHBondContact O-OG 3.21Å; P429-D438 HydrophobicContact CG-CB 4.47Å; P429-D439 WeakPolarHBondContact CD-O 3.39Å; P429-Y460 HydrophobicContact CB-CD1 4.15Å; P429-Y460 HydrophobicContact CB-CE1 3.78Å; P429-Y460 HydrophobicContact CG-CE1 4.09Å
430	T	83.9	Confident	76.8	Confident	60 Å²	60	70.2 Å²	70.2	37%	0.368	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-59.6	-24.3	-178.1	-65.3	0	0	0	0	112.1	E416 S432 L433	E416-T430 WeakPolarHBondContact OE1-CB 3.39Å; E416-T430 PolarHBondContact OE1-OG1 2.96Å; E416-T430 PolarHBondContact OE2-N 3.43Å; T430-S432 PolarHBondContact O-N 2.75Å; T430-L433 HydrophobicContact CG2-CD1 4.28Å; T430-L433 PolarHBondContact O-N 3.04Å
431	S	77.9	Confident	77.1	Confident	27 Å²	27	69.1 Å²	69.1	19%	0.189	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29	172.3	65.1	0	0	0	0	114	W409 P429 L433 Y434 R435 D438	W409-S431 VanDerWaalsContact CH2-OG 3.24Å; W409-S431 WeakPolarHBondContact CH2-OG 3.34Å; P429-S431 WeakPolarHBondContact CG-OG 3.2Å; P429-S431 PolarHBondContact O-N 3.11Å; S431-L433 PolarHBondContact O-N 2.92Å; S431-L433 VanDerWaalsContact O-N 3.12Å; S431-Y434 PolarHBondContact O-N 3.33Å; S431-R435 PolarHBondContact O-N 3Å; S431-D438 PolarHBondContact OG-OD2 2.03Å
432	S	76.9	Confident	77.5	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.063	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-65.9	-15.3	-175.3	64.8	0	0	0	0	113.7	Q427 P429 T430 Y434 R435	Q427-S432 PolarHBondContact NE2-OG 3.49Å; P429-S432 VanDerWaalsContact O-CB 3.31Å; P429-S432 WeakPolarHBondContact O-CB 3.46Å; P429-S432 PolarHBondContact O-N 3.36Å; P429-S432 PolarHBondContact O-OG 3.21Å; T430-S432 PolarHBondContact O-N 2.75Å; S432-Y434 PolarHBondContact O-N 3.33Å; S432-R435 WeakPolarHBondContact CA-O 3.41Å
433	L	72.7	Confident	78.2	Confident	106 Å²	106	68.6 Å²	68.6	56%	0.555	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.9	168.8	-62.7	174	0	0	0	112.7	T430 S431	T430-L433 HydrophobicContact CG2-CD1 4.28Å; T430-L433 PolarHBondContact O-N 3.04Å; S431-L433 PolarHBondContact O-N 2.92Å; S431-L433 VanDerWaalsContact O-N 3.12Å
434	Y	71	Confident	78.7	Confident	205 Å²	205	63.7 Å²	63.7	80%	0.804	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-22.1	-178.1	-55.4	-78.4	0	0	0	113.3	S431 S432	S431-Y434 PolarHBondContact O-N 3.33Å; S432-Y434 PolarHBondContact O-N 3.33Å
435	R	69.6	Low	78.9	Confident	141 Å²	141	58.2 Å²	58.2	53%	0.532	28%	0.277	S	S	.	.			trans	-124	103.8	-178.1	-179.8	178	-76.1	176.4	-3.3	110.8	S431 S432 T437 D438	S431-R435 PolarHBondContact O-N 3Å; S432-R435 WeakPolarHBondContact CA-O 3.41Å; R435-T437 WeakPolarHBondContact CD-OG1 3.23Å; R435-T437 WeakPolarHBondContact CG-OG1 3.28Å; R435-T437 PolarHBondContact O-N 3.5Å; R435-D438 WeakPolarHBondContact CD-OD1 3.28Å; R435-D438 WeakPolarHBondContact CD-OD2 3.42Å
436	Q	60.9	Low	78.6	Confident	177 Å²	177	54 Å²	54	83%	0.827	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	2.5	-177.5	-65.7	-174.9	-8.6	0	0	115.3
437	T	60	Low	77.8	Confident	93 Å²	93	53.4 Å²	53.4	57%	0.571	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.8	-176.8	54.3	0	0	0	0	114.2	R435	R435-T437 WeakPolarHBondContact CD-OG1 3.23Å; R435-T437 WeakPolarHBondContact CG-OG1 3.28Å; R435-T437 PolarHBondContact O-N 3.5Å
438	D	70.2	Confident	76.9	Confident	31 Å²	31	52.1 Å²	52.1	17%	0.166	25%	0.254	C	S	.	.	S	Bend	trans	-91.9	149.1	-172.4	-55.3	-8.6	0	0	0	109.4	P429 S431 R435 T440	P429-D438 HydrophobicContact CG-CB 4.47Å; S431-D438 PolarHBondContact OG-OD2 2.03Å; R435-D438 WeakPolarHBondContact CD-OD1 3.28Å; R435-D438 WeakPolarHBondContact CD-OD2 3.42Å; D438-T440 WeakPolarHBondContact O-CG2 3.35Å
439	D	86.6	Confident	75.5	Confident	7 Å²	7	56 Å²	56	4%	0.037	28%	0.279	C	S	.	.			trans	-58.4	141	170.5	-52.8	-64.8	0	0	0	109.7	P429 N487 V489 F510 H511	P429-D439 WeakPolarHBondContact CD-O 3.39Å; D439-N487 WeakPolarHBondContact OD2-CB 3.5Å; D439-N487 PolarHBondContact OD2-ND2 3.36Å; D439-V489 HydrophobicContact CB-CG2 4.15Å; D439-F510 HydrophobicContact CB-CD1 4.32Å; D439-F510 VanDerWaalsContact OD1-CA 3.23Å; D439-F510 WeakPolarHBondContact OD1-CA 3.04Å; D439-H511 PolarHBondContact OD1-N 2.05Å
440	T	89.8	Confident	74	Confident	20 Å²	20	60 Å²	60	12%	0.123	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	-176	66.7	0	0	0	0	111.9	Y428 D438 L508 S509	Y428-T440 CarbonylContact O-C 3.47Å; Y428-T440 WeakPolarHBondContact O-CA 3.43Å; D438-T440 WeakPolarHBondContact O-CG2 3.35Å; T440-L508 CarbonylContact O-C 3.09Å; T440-L508 WeakPolarHBondContact O-CA 3Å; T440-S509 PolarHBondContact N-O 3.06Å; T440-S509 PolarHBondContact O-N 2.94Å
441	V	90.6	Very high	72.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.7	172.3	-177.7	0	0	0	0	108	Q427 Y428 L443 Y460 V489 L491 L507 L508	Q427-V441 CarbonylContact C-O 3.48Å; Q427-V441 VanDerWaalsContact CA-O 3.26Å; Q427-V441 WeakPolarHBondContact CA-O 3.02Å; Y428-V441 PolarHBondContact N-O 2.76Å; Y428-V441 PolarHBondContact O-N 2.7Å; V441-L443 HydrophobicContact CB-CD1 4.42Å; V441-L443 HydrophobicContact CG1-CD1 3.61Å; V441-L443 HydrophobicContact CG1-CG 4.16Å; V441-Y460 HydrophobicContact CG2-CD2 4.22Å; V441-Y460 HydrophobicContact CG2-CE2 3.79Å; V441-V489 HydrophobicContact CG2-CG1 3.7Å; V441-L491 HydrophobicContact CB-CD1 4.3Å; V441-L491 HydrophobicContact CB-CD2 4.36Å; V441-L491 HydrophobicContact CG1-CD1 3.48Å; V441-L491 VanDerWaalsContact CG1-CD1 3.48Å; V441-L491 HydrophobicContact CG1-CD2 3.91Å; V441-L491 HydrophobicContact CG1-CG 4.31Å; V441-L491 HydrophobicContact CG2-CD1 3.93Å; V441-L491 HydrophobicContact CG2-CD2 4.35Å; V441-L491 HydrophobicContact CG2-CG 4.48Å; V441-L507 CarbonylContact C-O 3.53Å; V441-L507 WeakPolarHBondContact CA-O 3.03Å; V441-L508 HydrophobicContact CG1-CG 4.44Å; V441-L508 HydrophobicContact CG2-CD2 4.03Å; V441-L508 HydrophobicContact CG2-CG 4.27Å
442	R	89.4	Confident	71.8	Confident	120 Å²	120	66.6 Å²	66.6	45%	0.453	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.9	169.6	-63.3	-177.7	179.3	119.1	4.1	109.4	L426 Q427 L507	L426-R442 WeakPolarHBondContact O-CA 3.45Å; Q427-R442 HydrophobicContact CG-CG 4.27Å; R442-L507 HydrophobicContact CB-CB 4.34Å; R442-L507 PolarHBondContact N-O 3.43Å; R442-L507 PolarHBondContact O-N 3.48Å
443	L	85.9	Confident	71.3	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119	173.7	-61.5	94.3	0	0	0	109.2	L426 Y428 V441 I448 L458 L491 I506 L562	L426-L443 PolarHBondContact N-O 3.15Å; L426-L443 PolarHBondContact O-N 3.23Å; Y428-L443 HydrophobicContact CD2-CD1 3.6Å; Y428-L443 HydrophobicContact CE2-CD1 4.01Å; V441-L443 HydrophobicContact CB-CD1 4.42Å; V441-L443 HydrophobicContact CG1-CD1 3.61Å; V441-L443 HydrophobicContact CG1-CG 4.16Å; L443-I448 HydrophobicContact CD2-CD1 4.19Å; L443-L458 HydrophobicContact CD1-CD2 3.82Å; L443-L458 HydrophobicContact CD2-CD1 4.09Å; L443-L458 HydrophobicContact CD2-CD2 3.9Å; L443-L491 HydrophobicContact CD1-CD2 4.24Å; L443-I506 HydrophobicContact CB-CG2 4.33Å; L443-I506 HydrophobicContact CD2-CG2 4.1Å; L443-I506 HydrophobicContact CG-CG2 3.87Å; L443-L562 HydrophobicContact CD2-CD2 4.32Å
444	P	81.6	Confident	71.4	Confident	7 Å²	7	76.2 Å²	76.2	5%	0.045	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	147.5	166.2	-18.8	30.6	0	0	0	112	S446 S447 E504	P444-S446 VanDerWaalsContact C-N 3.27Å; P444-S446 WeakPolarHBondContact CB-OG 3.27Å; P444-S446 PolarHBondContact O-N 3.24Å; P444-S447 WeakPolarHBondContact CB-OG 3.41Å; P444-S447 WeakPolarHBondContact CD-OG 3.21Å; P444-S447 WeakPolarHBondContact CG-OG 3.36Å; P444-S447 WeakPolarHBondContact O-CB 3.39Å; P444-S447 PolarHBondContact O-N 3.44Å; P444-S447 PolarHBondContact O-OG 2.8Å; P444-E504 HydrophobicContact CB-CB 4.09Å; P444-E504 HydrophobicContact CB-CG 4.07Å; P444-E504 HydrophobicContact CG-CB 4.06Å; P444-E504 HydrophobicContact CG-CG 3.77Å; P444-E504 WeakPolarHBondContact CG-OE1 3.19Å
445	A	71	Confident	71.9	Confident	17 Å²	17	70.2 Å²	70.2	14%	0.14	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.3	-40.2	172.1	0	0	0	0	0	112.3	Q423 N424 S447 I448 V449	Q423-A445 WeakPolarHBondContact O-CB 3.48Å; N424-A445 PolarHBondContact O-N 3.17Å; A445-S447 PolarHBondContact O-N 2.77Å; A445-I448 PolarHBondContact O-N 3.5Å; A445-V449 VanDerWaalsContact O-CG2 3.31Å; A445-V449 WeakPolarHBondContact O-CG2 3.38Å; A445-V449 PolarHBondContact O-N 2.93Å
446	S	68	Low	72.4	Confident	40 Å²	40	64.5 Å²	64.5	28%	0.28	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-50.9	-34	177.2	41.3	0	0	0	0	112.8	P444 I448 V449 E504	P444-S446 VanDerWaalsContact C-N 3.27Å; P444-S446 WeakPolarHBondContact CB-OG 3.27Å; P444-S446 PolarHBondContact O-N 3.24Å; S446-I448 VanDerWaalsContact C-N 3.27Å; S446-I448 PolarHBondContact O-N 3.04Å; S446-V449 VanDerWaalsContact CA-CG2 3.46Å; S446-V449 WeakPolarHBondContact O-CG2 3.49Å; S446-E504 VanDerWaalsContact OG-CB 3.24Å; S446-E504 WeakPolarHBondContact OG-CB 3.45Å; S446-E504 PolarHBondContact OG-OE2 3.42Å
447	S	65.5	Low	73.6	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.042	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-68.2	-20.7	179.4	-44.9	0	0	0	0	114	P444 A445 L502 E504	P444-S447 WeakPolarHBondContact CB-OG 3.41Å; P444-S447 WeakPolarHBondContact CD-OG 3.21Å; P444-S447 WeakPolarHBondContact CG-OG 3.36Å; P444-S447 WeakPolarHBondContact O-CB 3.39Å; P444-S447 PolarHBondContact O-N 3.44Å; P444-S447 PolarHBondContact O-OG 2.8Å; A445-S447 PolarHBondContact O-N 2.77Å; S447-L502 VanDerWaalsContact O-CD2 3.26Å; S447-L502 WeakPolarHBondContact O-CD2 3.12Å; S447-E504 WeakPolarHBondContact CB-O 3.2Å; S447-E504 PolarHBondContact OG-O 3.26Å
448	I	66.8	Low	75	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.092	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-118.8	4.7	-172	-45.2	-179.9	0	0	0	111.8	L443 A445 S446 A450 F456	L443-I448 HydrophobicContact CD2-CD1 4.19Å; A445-I448 PolarHBondContact O-N 3.5Å; S446-I448 VanDerWaalsContact C-N 3.27Å; S446-I448 PolarHBondContact O-N 3.04Å; I448-A450 PolarHBondContact O-N 3.03Å; I448-F456 HydrophobicContact CD1-CD2 4.05Å; I448-F456 HydrophobicContact CD1-CE2 4.13Å; I448-F456 HydrophobicContact CG2-CB 4.19Å; I448-F456 HydrophobicContact CG2-CG 4.42Å
449	V	59.5	Low	76	Confident	88 Å²	88	52.2 Å²	52.2	53%	0.533	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12	-176.1	-172.3	0	0	0	0	114.1	M422 A445 S446 S451	M422-V449 HydrophobicContact CE-CB 4.12Å; M422-V449 HydrophobicContact CE-CG1 4.36Å; M422-V449 HydrophobicContact CE-CG2 3.58Å; A445-V449 VanDerWaalsContact O-CG2 3.31Å; A445-V449 WeakPolarHBondContact O-CG2 3.38Å; A445-V449 PolarHBondContact O-N 2.93Å; S446-V449 VanDerWaalsContact CA-CG2 3.46Å; S446-V449 WeakPolarHBondContact O-CG2 3.49Å; V449-S451 PolarHBondContact O-N 3.11Å
450	A	56.2	Low	76.3	Confident	87 Å²	87	52 Å²	52	72%	0.719	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.9	180	0	0	0	0	0	114.8	I448	I448-A450 PolarHBondContact O-N 3.03Å
451	S	57.7	Low	76.6	Confident	46 Å²	46	51.1 Å²	51.1	32%	0.322	26%	0.261	S	S	.	.	S	Bend	trans	-110.9	124.6	179.3	-138.1	0	0	0	0	112	V449 Q453	V449-S451 PolarHBondContact O-N 3.11Å; S451-Q453 PolarHBondContact O-N 3.44Å
452	D	58.3	Low	76.8	Confident	179 Å²	179	51.5 Å²	51.5	96%	0.957	26%	0.264	S	S	*	.			trans	-62.3	11.9	174.4	-75.5	-41.1	0	0	0	114.7
453	Q	66.1	Low	77	Confident	104 Å²	104	45.8 Å²	45.8	49%	0.486	24%	0.242	S	C	.	.			trans	-92.3	124.8	-174.3	-53.9	-146.3	-31.2	0	0	111.3	S451 W455	S451-Q453 PolarHBondContact O-N 3.44Å; Q453-W455 WeakPolarHBondContact CB-O 3.39Å; Q453-W455 PolarHBondContact O-N 3.04Å
454	R	75.9	Confident	77.3	Confident	213 Å²	213	49.7 Å²	49.7	80%	0.804	26%	0.263	S	S	*	.	S	Bend	trans	-59.9	-17.9	174.5	-66.5	-174.4	178.2	-167	-0.8	114.4	M422	M422-R454 PolarHBondContact N-O 3.16Å
455	W	79.9	Confident	77.4	Confident	79 Å²	79	51.3 Å²	51.3	30%	0.299	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.9	-178.1	-58.6	92.8	0	0	0	107.9	P401 A403 P421 Q453	P401-W455 HydrophobicContact CB-CB 4.13Å; P401-W455 HydrophobicContact CB-CG 4.09Å; P401-W455 PolarHBondContact O-NE1 3.29Å; A403-W455 HydrophobicContact CB-CH2 4.13Å; A403-W455 HydrophobicContact CB-CZ3 3.81Å; P421-W455 HydrophobicContact CB-CD2 4.46Å; P421-W455 HydrophobicContact CB-CE3 3.93Å; P421-W455 HydrophobicContact CB-CH2 4.08Å; P421-W455 HydrophobicContact CB-CZ3 3.71Å; P421-W455 HydrophobicContact CG-CE3 4.49Å; P421-W455 HydrophobicContact CG-CH2 4.37Å; P421-W455 HydrophobicContact CG-CZ3 3.92Å; Q453-W455 WeakPolarHBondContact CB-O 3.39Å; Q453-W455 PolarHBondContact O-N 3.04Å
456	F	80.6	Confident	78.3	Confident	20 Å²	20	50.5 Å²	50.5	9%	0.088	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	160.9	170.8	73.8	-84.8	0	0	0	109.7	T419 V420 L426 I448 L458	T419-F456 WeakPolarHBondContact CA-O 3.31Å; V420-F456 HydrophobicContact CG2-CD1 4.26Å; V420-F456 HydrophobicContact CG2-CE1 3.36Å; V420-F456 HydrophobicContact CG2-CE2 3.85Å; V420-F456 HydrophobicContact CG2-CZ 3.09Å; V420-F456 PolarHBondContact N-O 3.46Å; V420-F456 VanDerWaalsContact N-O 3.15Å; V420-F456 PolarHBondContact O-N 3.39Å; L426-F456 HydrophobicContact CD1-CE1 3.49Å; L426-F456 VanDerWaalsContact CD1-CE1 3.49Å; L426-F456 HydrophobicContact CD1-CE2 4.23Å; L426-F456 HydrophobicContact CD1-CZ 3.22Å; L426-F456 HydrophobicContact CD2-CE1 3.92Å; L426-F456 HydrophobicContact CD2-CZ 3.64Å; L426-F456 HydrophobicContact CG-CE1 4.29Å; L426-F456 HydrophobicContact CG-CZ 3.93Å; I448-F456 HydrophobicContact CD1-CD2 4.05Å; I448-F456 HydrophobicContact CD1-CE2 4.13Å; I448-F456 HydrophobicContact CG2-CB 4.19Å; I448-F456 HydrophobicContact CG2-CG 4.42Å; F456-L458 HydrophobicContact CD2-CB 4.34Å; F456-L458 HydrophobicContact CE2-CB 3.99Å
457	K	86.4	Confident	79.2	Confident	43 Å²	43	48.9 Å²	48.9	19%	0.187	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.3	178.7	-45.6	-161.9	173.3	-178.9	0	108.6	S396 A397 M399 S418 T419 P494	S396-K457 WeakPolarHBondContact O-CD 3.34Å; S396-K457 WeakPolarHBondContact O-CE 3.47Å; S396-K457 PolarHBondContact O-NZ 2.92Å; A397-K457 PolarHBondContact O-NZ 2.89Å; M399-K457 WeakPolarHBondContact O-CE 3.37Å; M399-K457 PolarHBondContact O-NZ 3.27Å; S418-K457 WeakPolarHBondContact O-CA 3.46Å; T419-K457 HydrophobicContact CG2-CB 4.02Å; T419-K457 HydrophobicContact CG2-CD 3.79Å; T419-K457 HydrophobicContact CG2-CG 3.61Å; K457-P494 HydrophobicContact CB-CG 3.72Å; K457-P494 HydrophobicContact CD-CG 4.11Å; K457-P494 HydrophobicContact CG-CG 4.37Å; K457-P494 WeakPolarHBondContact O-CD 3.22Å
458	L	88.2	Confident	80.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.7	176.9	-168.4	73.8	0	0	0	110.4	S418 Y428 L443 F456 L491 V493	S418-L458 PolarHBondContact N-O 2.71Å; S418-L458 PolarHBondContact O-N 3.03Å; Y428-L458 HydrophobicContact CD1-CD2 4.38Å; Y428-L458 HydrophobicContact CD2-CD2 3.63Å; Y428-L458 HydrophobicContact CE1-CD2 4.1Å; Y428-L458 HydrophobicContact CE2-CD2 3.3Å; Y428-L458 HydrophobicContact CG-CD2 4.16Å; L443-L458 HydrophobicContact CD1-CD2 3.82Å; L443-L458 HydrophobicContact CD2-CD1 4.09Å; L443-L458 HydrophobicContact CD2-CD2 3.9Å; F456-L458 HydrophobicContact CD2-CB 4.34Å; F456-L458 HydrophobicContact CE2-CB 3.99Å; L458-L491 HydrophobicContact CD2-CD2 4.05Å; L458-V493 HydrophobicContact CD1-CG2 3.7Å
459	V	92.3	Very high	81	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.3	166.1	176.3	0	0	0	0	108	A392 L393 L415 V417 I461 L491 V492	A392-V459 HydrophobicContact CB-CG1 3.55Å; A392-V459 HydrophobicContact CB-CG2 4.22Å; L393-V459 HydrophobicContact CD2-CG2 4.25Å; L415-V459 HydrophobicContact CD1-CG1 3.94Å; V417-V459 HydrophobicContact CG1-CG2 4.18Å; V417-V459 HydrophobicContact CG2-CG1 4.44Å; V417-V459 HydrophobicContact CG2-CG2 4.2Å; V459-I461 HydrophobicContact CG1-CD1 4.05Å; V459-I461 HydrophobicContact CG1-CG1 3.79Å; V459-L491 WeakPolarHBondContact O-CA 3.27Å; V459-V492 HydrophobicContact CB-CG2 3.73Å; V459-V492 HydrophobicContact CG1-CG2 4.13Å; V459-V492 HydrophobicContact CG2-CG2 4.32Å; V459-V492 PolarHBondContact N-O 2.87Å; V459-V492 PolarHBondContact O-N 3.01Å
460	Y	93.7	Very high	82.4	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.5	169.8	169.8	-90	0	0	0	109.2	E416 P429 V441 S462 V489 T490 L491	E416-Y460 HydrophobicContact CB-CD1 4.3Å; E416-Y460 PolarHBondContact N-O 2.78Å; E416-Y460 PolarHBondContact O-N 3.11Å; P429-Y460 HydrophobicContact CB-CD1 4.15Å; P429-Y460 HydrophobicContact CB-CE1 3.78Å; P429-Y460 HydrophobicContact CG-CE1 4.09Å; V441-Y460 HydrophobicContact CG2-CD2 4.22Å; V441-Y460 HydrophobicContact CG2-CE2 3.79Å; Y460-S462 WeakPolarHBondContact OH-CB 3.48Å; Y460-V489 HydrophobicContact CD2-CG1 4.15Å; Y460-V489 HydrophobicContact CE2-CG1 3.46Å; Y460-V489 VanDerWaalsContact CE2-CG1 3.46Å; Y460-T490 CarbonylContact C-O 3.59Å; Y460-T490 WeakPolarHBondContact CA-O 3.35Å; Y460-L491 HydrophobicContact CD2-CD2 4Å
461	I	95	Very high	83.6	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.6	175.9	-33.3	176	0	0	0	109	V388 E389 I413 V414 L415 V459 Y463 V489 T490	V388-I461 HydrophobicContact CG1-CD1 4.19Å; V388-I461 HydrophobicContact CG1-CG2 4.06Å; E389-I461 HydrophobicContact CB-CD1 4.18Å; I413-I461 HydrophobicContact CG2-CG2 3.82Å; V414-I461 CarbonylContact O-C 3.4Å; V414-I461 VanDerWaalsContact O-CA 3.29Å; V414-I461 WeakPolarHBondContact O-CA 3.43Å; L415-I461 HydrophobicContact CD1-CD1 4.47Å; L415-I461 HydrophobicContact CD1-CG1 3.93Å; V459-I461 HydrophobicContact CG1-CD1 4.05Å; V459-I461 HydrophobicContact CG1-CG1 3.79Å; I461-Y463 HydrophobicContact CB-CE2 3.96Å; I461-Y463 HydrophobicContact CG2-CD2 4.32Å; I461-Y463 HydrophobicContact CG2-CE1 4.05Å; I461-Y463 HydrophobicContact CG2-CE2 3.71Å; I461-V489 CarbonylContact O-C 3.55Å; I461-V489 WeakPolarHBondContact O-CA 3.32Å; I461-T490 HydrophobicContact CD1-CG2 4.45Å; I461-T490 PolarHBondContact N-O 3.45Å; I461-T490 PolarHBondContact O-N 2.79Å
462	S	94.1	Very high	84.5	Confident	10 Å²	10	44.6 Å²	44.6	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.2	169.5	-178.9	0	0	0	0	110.3	I413 V414 Y460 V488	I413-S462 WeakPolarHBondContact CA-O 3.4Å; V414-S462 PolarHBondContact N-O 3.49Å; V414-S462 PolarHBondContact O-N 3.02Å; Y460-S462 WeakPolarHBondContact OH-CB 3.48Å; S462-V488 WeakPolarHBondContact CA-O 3.35Å
463	Y	94.5	Very high	85.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115	179.2	-53.9	-93.7	0	0	0	110.4	L384 M385 V388 I413 I461 L466 N487 V488	L384-Y463 HydrophobicContact CD2-CD1 4.07Å; L384-Y463 HydrophobicContact CD2-CE1 3.79Å; M385-Y463 HydrophobicContact CG-CE2 4.3Å; M385-Y463 PolarHBondContact O-OH 2.8Å; V388-Y463 HydrophobicContact CB-CE1 4.32Å; V388-Y463 HydrophobicContact CG1-CE1 4.48Å; V388-Y463 HydrophobicContact CG2-CE1 4.25Å; I413-Y463 HydrophobicContact CD1-CD1 3.94Å; I413-Y463 HydrophobicContact CD1-CE1 4.09Å; I413-Y463 HydrophobicContact CG1-CD1 3.9Å; I413-Y463 HydrophobicContact CG1-CE1 4.44Å; I413-Y463 HydrophobicContact CG2-CD1 4.02Å; I413-Y463 HydrophobicContact CG2-CE1 4.06Å; I461-Y463 HydrophobicContact CB-CE2 3.96Å; I461-Y463 HydrophobicContact CG2-CD2 4.32Å; I461-Y463 HydrophobicContact CG2-CE1 4.05Å; I461-Y463 HydrophobicContact CG2-CE2 3.71Å; Y463-L466 HydrophobicContact CD1-CD2 4.02Å; Y463-L466 HydrophobicContact CD2-CD2 4.07Å; Y463-L466 HydrophobicContact CG-CD2 3.67Å; Y463-N487 WeakPolarHBondContact O-CA 3.21Å; Y463-N487 WeakPolarHBondContact O-CB 3.36Å; Y463-V488 HydrophobicContact CD2-CB 4.41Å; Y463-V488 HydrophobicContact CD2-CG1 4.46Å; Y463-V488 WeakPolarHBondContact CD2-O 3.47Å; Y463-V488 PolarHBondContact N-O 3.1Å; Y463-V488 PolarHBondContact O-N 3.48Å
464	N	91.2	Very high	84.8	Confident	83 Å²	83	35 Å²	35	44%	0.444	17%	0.168	S	C	.	.	S	Bend	trans	-88.6	136.7	174.3	-176.3	-1.9	0	0	0	110.5	Q412 L466 N487	Q412-N464 PolarHBondContact O-N 3.21Å; N464-L466 PolarHBondContact O-N 2.94Å; N464-N487 VanDerWaalsContact CA-OD1 3.29Å; N464-N487 WeakPolarHBondContact CA-OD1 3.17Å; N464-N487 WeakPolarHBondContact CB-OD1 3.16Å; N464-N487 PolarHBondContact OD1-OD1 3.01Å
465	G	84.8	Confident	83.7	Confident	40 Å²	40	30.2 Å²	30.2	41%	0.412	17%	0.167	S	C	.	.	S	Bend	trans	78.6	-15.4	179.6	0	0	0	0	0	116.1	G467 E468	G465-G467 PolarHBondContact O-N 3.3Å; G465-E468 PolarHBondContact O-N 3.43Å
466	L	90.2	Very high	82.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61	-28.4	-178.6	-171.3	64.2	0	0	0	113.5	L361 A381 M385 Y463 N464 E468 L469 L470 V488	L361-L466 HydrophobicContact CD1-CD1 4.33Å; L361-L466 HydrophobicContact CD2-CD1 4.03Å; A381-L466 HydrophobicContact CB-CD1 3.85Å; M385-L466 HydrophobicContact CG-CD2 3.61Å; M385-L466 HydrophobicContact SD-CD2 3.73Å; Y463-L466 HydrophobicContact CD1-CD2 4.02Å; Y463-L466 HydrophobicContact CD2-CD2 4.07Å; Y463-L466 HydrophobicContact CG-CD2 3.67Å; N464-L466 PolarHBondContact O-N 2.94Å; L466-E468 VanDerWaalsContact C-N 3.25Å; L466-E468 PolarHBondContact O-N 2.94Å; L466-L469 HydrophobicContact CD1-CD1 4.19Å; L466-L469 WeakPolarHBondContact O-CB 3.47Å; L466-L469 PolarHBondContact O-N 2.81Å; L466-L470 HydrophobicContact CD2-CD1 4.18Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.38Å; L466-L470 PolarHBondContact O-N 2.92Å; L466-V488 HydrophobicContact CB-CG2 4.4Å; L466-V488 HydrophobicContact CD2-CB 4.42Å; L466-V488 HydrophobicContact CD2-CG2 4.48Å
467	G	86.8	Confident	80.4	Confident	7 Å²	7	34.5 Å²	34.5	7%	0.072	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.6	-25.4	-179.7	0	0	0	0	0	115.5	G465 L469	G465-G467 PolarHBondContact O-N 3.3Å; G467-L469 VanDerWaalsContact C-N 3.32Å
468	E	83.1	Confident	78.4	Confident	64 Å²	64	39.2 Å²	39.2	30%	0.299	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-76.7	-18.4	175.2	-78.5	-73.9	161.3	0	0	112.9	G465 L466 R471 R483	G465-E468 PolarHBondContact O-N 3.43Å; L466-E468 VanDerWaalsContact C-N 3.25Å; L466-E468 PolarHBondContact O-N 2.94Å; E468-R471 PolarHBondContact O-NE 3.42Å; E468-R471 PolarHBondContact O-NH2 3.37Å; E468-R471 IonicContact OE2-NE 3.04Å; E468-R483 WeakPolarHBondContact OE1-CD 3.34Å; E468-R483 IonicContact OE1-CZ 3.72Å; E468-R483 IonicContact OE1-NE 3.75Å; E468-R483 IonicContact OE1-NH1 3.9Å; E468-R483 PolarHBondContact OE1-NH1 2.82Å; E468-R483 IonicContact OE2-NH1 2.7Å
469	L	87.5	Confident	76.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-29.1	175.4	-56.6	175.3	0	0	0	111.6	L361 L366 W369 A381 L466 G467	L361-L469 HydrophobicContact CD2-CD1 3.64Å; L366-L469 HydrophobicContact CD1-CD2 4.16Å; W369-L469 HydrophobicContact CB-CD2 3.69Å; W369-L469 HydrophobicContact CD2-CD1 3.61Å; W369-L469 HydrophobicContact CD2-CD2 4.08Å; W369-L469 HydrophobicContact CE3-CD1 3.53Å; W369-L469 HydrophobicContact CE3-CD2 3.94Å; W369-L469 HydrophobicContact CE3-CG 4.29Å; W369-L469 HydrophobicContact CG-CD1 4.17Å; W369-L469 HydrophobicContact CG-CD2 4.02Å; W369-L469 HydrophobicContact CH2-CD1 4.19Å; W369-L469 HydrophobicContact CZ2-CD1 4.27Å; W369-L469 HydrophobicContact CZ3-CD1 3.82Å; A381-L469 HydrophobicContact CB-CB 4.06Å; A381-L469 HydrophobicContact CB-CD1 4.49Å; L466-L469 HydrophobicContact CD1-CD1 4.19Å; L466-L469 WeakPolarHBondContact O-CB 3.47Å; L466-L469 PolarHBondContact O-N 2.81Å; G467-L469 VanDerWaalsContact C-N 3.32Å
470	L	87.8	Confident	74.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-100.2	33.4	-179.7	-59.3	-179.8	0	0	0	112.6	R378 A381 M385 L466 W526 W540	R378-L470 HydrophobicContact CG-CD2 4.27Å; A381-L470 HydrophobicContact CB-CD2 3.55Å; A381-L470 HydrophobicContact CB-CG 4.13Å; M385-L470 HydrophobicContact SD-CD1 3.65Å; L466-L470 HydrophobicContact CD2-CD1 4.18Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.38Å; L466-L470 PolarHBondContact O-N 2.92Å; L470-W526 HydrophobicContact CB-CH2 4.13Å; L470-W526 HydrophobicContact CB-CZ3 3.87Å; L470-W526 HydrophobicContact CD1-CE3 4.39Å; L470-W526 HydrophobicContact CD1-CZ3 4.41Å; L470-W526 HydrophobicContact CD2-CH2 3.68Å; L470-W526 HydrophobicContact CD2-CZ2 3.9Å; L470-W526 HydrophobicContact CD2-CZ3 4.22Å; L470-W526 HydrophobicContact CG-CH2 4.34Å; L470-W526 HydrophobicContact CG-CZ3 4.39Å; L470-W540 HydrophobicContact CB-CZ2 4.06Å; L470-W540 HydrophobicContact CD1-CZ2 4.18Å; L470-W540 PolarHBondContact O-NE1 3.44Å
471	R	81.7	Confident	72.9	Confident	71 Å²	71	49 Å²	49	27%	0.268	29%	0.288	S	S	.	.			trans	-56.6	145	-178.9	-80.1	173.7	-83.6	153.3	-1.3	111.6	F374 R378 E468	F374-R471 HydrophobicContact CE2-CB 4.03Å; F374-R471 HydrophobicContact CZ-CB 3.89Å; F374-R471 WeakPolarHBondContact CZ-O 3.49Å; R378-R471 PolarHBondContact NH1-O 2.89Å; E468-R471 PolarHBondContact O-NE 3.42Å; E468-R471 PolarHBondContact O-NH2 3.37Å; E468-R471 IonicContact OE2-NE 3.04Å
472	P	76.9	Confident	71.7	Confident	18 Å²	18	53.7 Å²	53.7	12%	0.117	31%	0.306	C	S	.	.			trans	-62.9	160.9	170.5	26	-30.7	0	0	0	110.5	V480 R482 L568	P472-V480 VanDerWaalsContact C-CG2 3.42Å; P472-V480 HydrophobicContact CB-CB 4.43Å; P472-V480 HydrophobicContact CB-CG2 4.03Å; P472-V480 HydrophobicContact CG-CB 3.95Å; P472-V480 HydrophobicContact CG-CG1 4.08Å; P472-V480 HydrophobicContact CG-CG2 4.09Å; P472-V480 VanDerWaalsContact O-CG2 3.23Å; P472-V480 WeakPolarHBondContact O-CG2 3.34Å; P472-R482 HydrophobicContact CG-CB 4.28Å; P472-R482 WeakPolarHBondContact CG-O 3.25Å; P472-L568 HydrophobicContact CG-CD1 4.49Å; P472-L568 HydrophobicContact CG-CD2 4.01Å
473	I	70.1	Confident	70.8	Confident	30 Å²	30	58.1 Å²	58.1	15%	0.154	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-120.7	130.1	173.5	-50	175.4	0	0	0	106	F374 A533	F374-I473 HydrophobicContact CD1-CD1 4.28Å; F374-I473 HydrophobicContact CD1-CG1 4.47Å; F374-I473 HydrophobicContact CE1-CD1 3.84Å; F374-I473 HydrophobicContact CE1-CG1 3.72Å; I473-A533 HydrophobicContact CG2-CB 4.34Å
474	D	60.1	Low	70.4	Confident	52 Å²	52	58.8 Å²	58.8	28%	0.278	33%	0.325	S	S	.	.			trans	-81.9	157.6	174.1	-83	-31.7	0	0	0	108.3	N476 G477 V480 R482	D474-N476 PolarHBondContact O-N 2.95Å; D474-G477 PolarHBondContact O-N 3Å; D474-V480 HydrophobicContact CB-CG2 3.89Å; D474-V480 VanDerWaalsContact CG-CG2 3.42Å; D474-V480 WeakPolarHBondContact OD1-CG1 3.4Å; D474-V480 WeakPolarHBondContact OD2-CG1 3.38Å; D474-R482 IonicContact OD1-NH1 3.35Å
475	S	52.3	Low	70	Confident	112 Å²	112	55.7 Å²	55.7	78%	0.783	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-9.1	-176.7	54.4	0	0	0	0	115.7
476	N	46.5	Very low	70.1	Confident	128 Å²	128	54.4 Å²	54.4	68%	0.684	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	2.5	-179.6	-59.7	10.4	0	0	0	113	D474 E478	D474-N476 PolarHBondContact O-N 2.95Å; N476-E478 PolarHBondContact O-N 3.34Å
477	G	45.4	Very low	70.2	Confident	61 Å²	61	56.4 Å²	56.4	63%	0.629	31%	0.307	S	S	*	.	S	Bend	trans	75.4	-6.7	-176.8	0	0	0	0	0	115.4	D474	D474-G477 PolarHBondContact O-N 3Å
478	E	44.4	Very low	70.5	Confident	142 Å²	142	56 Å²	56	66%	0.664	30%	0.303	S	S	*	.	S	Bend	trans	-68.3	145.1	171.6	-70.5	-169.1	129.3	0	0	111.5	N476 V480	N476-E478 PolarHBondContact O-N 3.34Å; E478-V480 PolarHBondContact O-N 3.47Å; E478-V480 VanDerWaalsContact O-N 3.16Å
479	S	48.5	Very low	71.1	Confident	107 Å²	107	53 Å²	53	75%	0.748	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-67.1	114.7	178.8	61.1	0	0	0	0	110.9
480	V	53.3	Low	71.4	Confident	16 Å²	16	53 Å²	53	10%	0.097	29%	0.289	C	S	.	.			trans	-56.4	139.4	-172.8	-167.4	0	0	0	0	111.8	P472 D474 E478 R482	P472-V480 VanDerWaalsContact C-CG2 3.42Å; P472-V480 HydrophobicContact CB-CB 4.43Å; P472-V480 HydrophobicContact CB-CG2 4.03Å; P472-V480 HydrophobicContact CG-CB 3.95Å; P472-V480 HydrophobicContact CG-CG1 4.08Å; P472-V480 HydrophobicContact CG-CG2 4.09Å; P472-V480 VanDerWaalsContact O-CG2 3.23Å; P472-V480 WeakPolarHBondContact O-CG2 3.34Å; D474-V480 HydrophobicContact CB-CG2 3.89Å; D474-V480 VanDerWaalsContact CG-CG2 3.42Å; D474-V480 WeakPolarHBondContact OD1-CG1 3.4Å; D474-V480 WeakPolarHBondContact OD2-CG1 3.38Å; E478-V480 PolarHBondContact O-N 3.47Å; E478-V480 VanDerWaalsContact O-N 3.16Å; V480-R482 HydrophobicContact CG1-CB 3.74Å; V480-R482 HydrophobicContact CG1-CG 3.86Å; V480-R482 PolarHBondContact O-N 3.24Å
481	R	57.8	Low	71.5	Confident	87 Å²	87	53 Å²	53	33%	0.328	29%	0.289	S	S	.	.	S	Bend	trans	-60.6	-13.9	173.5	-65.7	123.5	166.2	-130.9	3.4	113.7	I571 E575	R481-I571 PolarHBondContact O-N 3.25Å; R481-I571 VanDerWaalsContact O-N 3.17Å; R481-E575 WeakPolarHBondContact CD-OE1 3.4Å; R481-E575 WeakPolarHBondContact CD-OE2 3.22Å; R481-E575 WeakPolarHBondContact CG-OE1 3.49Å; R481-E575 IonicContact CZ-OE1 2.61Å; R481-E575 IonicContact CZ-OE2 3.81Å; R481-E575 IonicContact NE-OE1 3.57Å; R481-E575 PolarHBondContact NE-OE1 3.18Å; R481-E575 VanDerWaalsContact NE-OE1 3.1Å; R481-E575 IonicContact NE-OE2 3.75Å; R481-E575 IonicContact NH1-OE1 3.02Å; R481-E575 PolarHBondContact NH1-OE1 3.4Å; R481-E575 IonicContact NH1-OE2 3.29Å; R481-E575 PolarHBondContact NH1-OE2 3.17Å
482	R	68.2	Low	71.9	Confident	98 Å²	98	50.3 Å²	50.3	37%	0.37	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.1	178.5	-53.8	173.6	-169.1	119	6	111.3	P472 D474 V480 M569	P472-R482 HydrophobicContact CG-CB 4.28Å; P472-R482 WeakPolarHBondContact CG-O 3.25Å; D474-R482 IonicContact OD1-NH1 3.35Å; V480-R482 HydrophobicContact CG1-CB 3.74Å; V480-R482 HydrophobicContact CG1-CG 3.86Å; V480-R482 PolarHBondContact O-N 3.24Å; R482-M569 CarbonylContact C-O 3.56Å; R482-M569 VanDerWaalsContact CA-O 3.23Å; R482-M569 WeakPolarHBondContact CA-O 3.41Å
483	R	76	Confident	72.2	Confident	102 Å²	102	50.6 Å²	50.6	39%	0.385	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	161.5	166.1	-59.3	-162.1	-159.2	161.9	8.5	111.2	E468 A485 L568 M569 I571	E468-R483 WeakPolarHBondContact OE1-CD 3.34Å; E468-R483 IonicContact OE1-CZ 3.72Å; E468-R483 IonicContact OE1-NE 3.75Å; E468-R483 IonicContact OE1-NH1 3.9Å; E468-R483 PolarHBondContact OE1-NH1 2.82Å; E468-R483 IonicContact OE2-NH1 2.7Å; R483-A485 PolarHBondContact O-N 3.11Å; R483-L568 WeakPolarHBondContact O-CA 3.37Å; R483-M569 PolarHBondContact N-O 3.4Å; R483-M569 PolarHBondContact O-N 3.25Å; R483-I571 HydrophobicContact CB-CD1 3.88Å; R483-I571 HydrophobicContact CB-CG1 4.42Å; R483-I571 VanDerWaalsContact CD-CD1 3.49Å; R483-I571 HydrophobicContact CG-CD1 3.57Å; R483-I571 HydrophobicContact CG-CG1 4.34Å
484	V	85.3	Confident	72.3	Confident	14 Å²	14	51 Å²	51	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	112.5	168.8	176.9	0	0	0	0	107.8	S486 V488 W540 A566 V567 L568	V484-S486 WeakPolarHBondContact CG1-O 3.38Å; V484-V488 HydrophobicContact CG1-CG2 4.45Å; V484-W540 HydrophobicContact CG2-CZ2 3.89Å; V484-A566 HydrophobicContact CG1-CB 3.74Å; V484-V567 CarbonylContact C-O 3.55Å; V484-V567 WeakPolarHBondContact CA-O 3.22Å; V484-L568 HydrophobicContact CB-CD2 4.47Å; V484-L568 HydrophobicContact CG2-CD2 3.67Å
485	A	82.3	Confident	72.5	Confident	18 Å²	18	56.5 Å²	56.5	15%	0.149	31%	0.308	C	S	.	.			trans	-94.6	-11.6	-173.1	0	0	0	0	0	113.8	R483 L516 V567 M569	R483-A485 PolarHBondContact O-N 3.11Å; A485-L516 HydrophobicContact CB-CD2 3.75Å; A485-V567 PolarHBondContact N-O 2.88Å; A485-M569 HydrophobicContact CB-CB 3.86Å; A485-M569 HydrophobicContact CB-CE 4.21Å; A485-M569 HydrophobicContact CB-CG 3.55Å; A485-M569 HydrophobicContact CB-SD 3.7Å
486	S	88.5	Confident	72.7	Confident	14 Å²	14	54.8 Å²	54.8	10%	0.098	29%	0.288	C	S	.	.	S	Bend	trans	-109.9	174.5	177.8	67.7	0	0	0	0	111.5	V484 F510 V567	V484-S486 WeakPolarHBondContact CG1-O 3.38Å; S486-F510 VanDerWaalsContact CB-CD1 3.48Å; S486-V567 PolarHBondContact OG-N 2.88Å
487	N	91.4	Very high	73.1	Confident	41 Å²	41	54.6 Å²	54.6	22%	0.219	30%	0.296	C	S	.	.			trans	-65.1	160.7	157.2	-59.6	-44.1	0	0	0	110.1	D439 Y463 N464 F510	D439-N487 WeakPolarHBondContact OD2-CB 3.5Å; D439-N487 PolarHBondContact OD2-ND2 3.36Å; Y463-N487 WeakPolarHBondContact O-CA 3.21Å; Y463-N487 WeakPolarHBondContact O-CB 3.36Å; N464-N487 VanDerWaalsContact CA-OD1 3.29Å; N464-N487 WeakPolarHBondContact CA-OD1 3.17Å; N464-N487 WeakPolarHBondContact CB-OD1 3.16Å; N464-N487 PolarHBondContact OD1-OD1 3.01Å; N487-F510 WeakPolarHBondContact O-CE1 3.49Å
488	V	93.9	Very high	73.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.7	170.7	-179.5	0	0	0	0	108.2	M385 S462 Y463 L466 V484 W540 F565 A566	M385-V488 HydrophobicContact CE-CG1 4.3Å; S462-V488 WeakPolarHBondContact CA-O 3.35Å; Y463-V488 HydrophobicContact CD2-CB 4.41Å; Y463-V488 HydrophobicContact CD2-CG1 4.46Å; Y463-V488 WeakPolarHBondContact CD2-O 3.47Å; Y463-V488 PolarHBondContact N-O 3.1Å; Y463-V488 PolarHBondContact O-N 3.48Å; L466-V488 HydrophobicContact CB-CG2 4.4Å; L466-V488 HydrophobicContact CD2-CB 4.42Å; L466-V488 HydrophobicContact CD2-CG2 4.48Å; V484-V488 HydrophobicContact CG1-CG2 4.45Å; V488-W540 HydrophobicContact CG1-CH2 4.1Å; V488-W540 HydrophobicContact CG2-CH2 4Å; V488-W540 HydrophobicContact CG2-CZ2 4.29Å; V488-F565 CarbonylContact C-O 3.58Å; V488-F565 WeakPolarHBondContact CA-O 3.41Å; V488-A566 HydrophobicContact CG2-CB 4.35Å
489	V	94.2	Very high	74.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.9	-175.5	169.2	0	0	0	0	110.4	D439 V441 Y460 I461 L508 F510 S564 F565	D439-V489 HydrophobicContact CB-CG2 4.15Å; V441-V489 HydrophobicContact CG2-CG1 3.7Å; Y460-V489 HydrophobicContact CD2-CG1 4.15Å; Y460-V489 HydrophobicContact CE2-CG1 3.46Å; Y460-V489 VanDerWaalsContact CE2-CG1 3.46Å; I461-V489 CarbonylContact O-C 3.55Å; I461-V489 WeakPolarHBondContact O-CA 3.32Å; V489-L508 HydrophobicContact CG1-CD2 4.25Å; V489-F510 HydrophobicContact CB-CE1 3.84Å; V489-F510 HydrophobicContact CB-CZ 4.27Å; V489-F510 HydrophobicContact CG2-CD1 4.29Å; V489-F510 HydrophobicContact CG2-CE1 3.65Å; V489-S564 CarbonylContact O-C 3.59Å; V489-S564 WeakPolarHBondContact O-CA 3.32Å; V489-F565 PolarHBondContact N-O 2.6Å; V489-F565 PolarHBondContact O-N 3.14Å
490	T	93.9	Very high	75.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.3	-176.8	-51.5	0	0	0	0	111.5	Y460 I461 V492 T563 S564	Y460-T490 CarbonylContact C-O 3.59Å; Y460-T490 WeakPolarHBondContact CA-O 3.35Å; I461-T490 HydrophobicContact CD1-CG2 4.45Å; I461-T490 PolarHBondContact N-O 3.45Å; I461-T490 PolarHBondContact O-N 2.79Å; T490-V492 HydrophobicContact CG2-CG1 4.25Å; T490-T563 WeakPolarHBondContact CA-O 3.26Å; T490-S564 WeakPolarHBondContact CG2-OG 3.36Å; T490-S564 PolarHBondContact OG1-OG 2.79Å
491	L	91.3	Very high	76.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.2	178.1	-67.8	148.2	0	0	0	109	V441 L443 L458 V459 Y460 I506 L508 L562 T563 F565	V441-L491 HydrophobicContact CB-CD1 4.3Å; V441-L491 HydrophobicContact CB-CD2 4.36Å; V441-L491 HydrophobicContact CG1-CD1 3.48Å; V441-L491 VanDerWaalsContact CG1-CD1 3.48Å; V441-L491 HydrophobicContact CG1-CD2 3.91Å; V441-L491 HydrophobicContact CG1-CG 4.31Å; V441-L491 HydrophobicContact CG2-CD1 3.93Å; V441-L491 HydrophobicContact CG2-CD2 4.35Å; V441-L491 HydrophobicContact CG2-CG 4.48Å; L443-L491 HydrophobicContact CD1-CD2 4.24Å; L458-L491 HydrophobicContact CD2-CD2 4.05Å; V459-L491 WeakPolarHBondContact O-CA 3.27Å; Y460-L491 HydrophobicContact CD2-CD2 4Å; L491-I506 HydrophobicContact CD1-CD1 3.53Å; L491-L508 HydrophobicContact CD1-CD2 4.04Å; L491-L562 HydrophobicContact CB-CD2 4.24Å; L491-L562 CarbonylContact O-C 3.5Å; L491-L562 WeakPolarHBondContact O-CB 3.5Å; L491-T563 PolarHBondContact N-O 3.09Å; L491-T563 PolarHBondContact O-N 3.05Å; L491-F565 HydrophobicContact CD1-CD2 4.22Å; L491-F565 HydrophobicContact CD1-CE2 4.07Å
492	V	88.9	Confident	77.2	Confident	15 Å²	15	48.8 Å²	48.8	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153	177.5	-63.8	0	0	0	0	112.8	E389 L393 V459 T490	E389-V492 HydrophobicContact CG-CG1 4.36Å; E389-V492 HydrophobicContact CG-CG2 3.87Å; L393-V492 HydrophobicContact CD1-CG2 4.39Å; L393-V492 HydrophobicContact CD2-CB 4.42Å; L393-V492 HydrophobicContact CD2-CG2 3.72Å; L393-V492 HydrophobicContact CG-CG2 4.08Å; V459-V492 HydrophobicContact CB-CG2 3.73Å; V459-V492 HydrophobicContact CG1-CG2 4.13Å; V459-V492 HydrophobicContact CG2-CG2 4.32Å; V459-V492 PolarHBondContact N-O 2.87Å; V459-V492 PolarHBondContact O-N 3.01Å; T490-V492 HydrophobicContact CG2-CG1 4.25Å
493	V	83.4	Confident	77.6	Confident	25 Å²	25	48.7 Å²	48.7	15%	0.152	27%	0.271	C	S	.	.			trans	-122.3	129	-178.3	174.8	0	0	0	0	108.9	L458 K495 L499 L562	L458-V493 HydrophobicContact CD1-CG2 3.7Å; V493-K495 PolarHBondContact O-N 3.37Å; V493-L499 HydrophobicContact CB-CD1 4.08Å; V493-L499 HydrophobicContact CG1-CD1 4.39Å; V493-L499 HydrophobicContact CG2-CD1 4.05Å; V493-L562 HydrophobicContact CG2-CD1 3.7Å
494	P	73.7	Confident	78	Confident	39 Å²	39	47.8 Å²	47.8	25%	0.253	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	25.9	-162.7	32	-39.8	0	0	0	117.4	L393 S396 K457	L393-P494 HydrophobicContact CD2-CB 3.83Å; S396-P494 WeakPolarHBondContact OG-CB 3.38Å; S396-P494 VanDerWaalsContact OG-CG 3.29Å; S396-P494 WeakPolarHBondContact OG-CG 3.39Å; K457-P494 HydrophobicContact CB-CG 3.72Å; K457-P494 HydrophobicContact CD-CG 4.11Å; K457-P494 HydrophobicContact CG-CG 4.37Å; K457-P494 WeakPolarHBondContact O-CD 3.22Å
495	K	63.5	Low	78.2	Confident	167 Å²	167	49.3 Å²	49.3	73%	0.726	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	-12.7	179	-88.3	-166.6	173.1	-176.7	0	116.9	V493	V493-K495 PolarHBondContact O-N 3.37Å
496	E	57.5	Low	78.6	Confident	76 Å²	76	48.5 Å²	48.5	36%	0.355	27%	0.274	S	S	.	.	S	Bend	trans	-126.6	123.6	-176.2	-80.3	149	-152.2	0	0	109.6	R498 L499	E496-R498 PolarHBondContact O-N 3.39Å; E496-R498 VanDerWaalsContact O-N 3.07Å; E496-L499 HydrophobicContact CB-CD1 4.41Å; E496-L499 HydrophobicContact CB-CG 4.05Å; E496-L499 WeakPolarHBondContact OE2-CD1 3.35Å; E496-L499 WeakPolarHBondContact OE2-CD2 3.04Å; E496-L499 WeakPolarHBondContact OE2-CG 3.25Å
497	S	53.4	Low	78.8	Confident	123 Å²	123	51.1 Å²	51.1	86%	0.86	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	110.8	174.1	51.1	0	0	0	0	109.6	L499	S497-L499 PolarHBondContact O-N 3.08Å
498	R	59.2	Low	78.9	Confident	93 Å²	93	49.2 Å²	49.2	35%	0.351	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	28	79	-178.5	-71.1	-170.1	-179	154.2	8.3	112.9	E496 S500 D527 S528	E496-R498 PolarHBondContact O-N 3.39Å; E496-R498 VanDerWaalsContact O-N 3.07Å; R498-S500 WeakPolarHBondContact O-CB 3.4Å; R498-S500 PolarHBondContact O-N 3.23Å; R498-S500 PolarHBondContact O-OG 3.27Å; R498-D527 IonicContact NH1-OD1 3.87Å; R498-S528 PolarHBondContact NH1-OG 3.09Å; R498-S528 PolarHBondContact NH2-OG 3.16Å
499	L	63.5	Low	78.8	Confident	27 Å²	27	50 Å²	50	14%	0.141	28%	0.283	C	S	.	.			trans	-38.3	111.7	168.3	-98.9	156.7	0	0	0	109.8	V493 E496 S497 L502 H561 L562	V493-L499 HydrophobicContact CB-CD1 4.08Å; V493-L499 HydrophobicContact CG1-CD1 4.39Å; V493-L499 HydrophobicContact CG2-CD1 4.05Å; E496-L499 HydrophobicContact CB-CD1 4.41Å; E496-L499 HydrophobicContact CB-CG 4.05Å; E496-L499 WeakPolarHBondContact OE2-CD1 3.35Å; E496-L499 WeakPolarHBondContact OE2-CD2 3.04Å; E496-L499 WeakPolarHBondContact OE2-CG 3.25Å; S497-L499 PolarHBondContact O-N 3.08Å; L499-L502 HydrophobicContact CB-CD2 4.12Å; L499-L502 HydrophobicContact CD2-CD2 4.18Å; L499-H561 CarbonylContact O-C 3.43Å; L499-H561 WeakPolarHBondContact O-CA 3.03Å; L499-H561 VanDerWaalsContact O-CB 3.31Å; L499-H561 WeakPolarHBondContact O-CB 3.31Å; L499-L562 HydrophobicContact CB-CB 4.38Å; L499-L562 HydrophobicContact CB-CD1 4.06Å; L499-L562 HydrophobicContact CB-CG 4.14Å; L499-L562 HydrophobicContact CD1-CD1 3.88Å; L499-L562 PolarHBondContact O-N 3.44Å
500	S	63.1	Low	78.6	Confident	68 Å²	68	50.2 Å²	50.2	48%	0.476	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-130.7	148.4	-173.5	-61.9	0	0	0	0	108.7	R498	R498-S500 WeakPolarHBondContact O-CB 3.4Å; R498-S500 PolarHBondContact O-N 3.23Å; R498-S500 PolarHBondContact O-OG 3.27Å
501	D	72.4	Confident	78.2	Confident	89 Å²	89	54 Å²	54	48%	0.476	30%	0.301	S	S	.	.	S	Bend	trans	62.4	46.4	-168.7	-48.1	-48.4	0	0	0	113.1	K183 A503 N560	K183-D501 WeakPolarHBondContact CE-OD2 3.21Å; K183-D501 IonicContact NZ-OD2 3.76Å; K183-D501 PolarHBondContact NZ-OD2 3.34Å; D501-A503 PolarHBondContact O-N 3.02Å; D501-N560 PolarHBondContact N-O 3.38Å
502	L	78	Confident	77.3	Confident	14 Å²	14	54.4 Å²	54.4	7%	0.073	30%	0.304	C	S	.	.			trans	-53.8	128.5	170.6	-60.5	171.7	0	0	0	110	S447 L499 E504 I506 N560 L562	S447-L502 VanDerWaalsContact O-CD2 3.26Å; S447-L502 WeakPolarHBondContact O-CD2 3.12Å; L499-L502 HydrophobicContact CB-CD2 4.12Å; L499-L502 HydrophobicContact CD2-CD2 4.18Å; L502-E504 WeakPolarHBondContact CB-O 3.4Å; L502-E504 PolarHBondContact O-N 2.84Å; L502-I506 HydrophobicContact CD1-CG2 4.03Å; L502-N560 WeakPolarHBondContact CG-O 3.44Å; L502-N560 PolarHBondContact N-O 3.23Å; L502-L562 HydrophobicContact CD1-CD2 4.05Å; L502-L562 HydrophobicContact CD1-CG 4.23Å
503	A	77	Confident	76	Confident	96 Å²	96	56.2 Å²	56.2	79%	0.793	32%	0.316	S	S	*	.	S	Bend	trans	-60.4	-30.2	-175.7	0	0	0	0	0	113.4	D501	D501-A503 PolarHBondContact O-N 3.02Å
504	E	83.4	Confident	74.5	Confident	83 Å²	83	62 Å²	62	39%	0.388	34%	0.339	S	S	.	.	S	Bend	trans	-127.3	132.2	166.1	-164.6	178.2	149.5	0	0	107.4	P444 S446 S447 L502	P444-E504 HydrophobicContact CB-CB 4.09Å; P444-E504 HydrophobicContact CB-CG 4.07Å; P444-E504 HydrophobicContact CG-CB 4.06Å; P444-E504 HydrophobicContact CG-CG 3.77Å; P444-E504 WeakPolarHBondContact CG-OE1 3.19Å; S446-E504 VanDerWaalsContact OG-CB 3.24Å; S446-E504 WeakPolarHBondContact OG-CB 3.45Å; S446-E504 PolarHBondContact OG-OE2 3.42Å; S447-E504 WeakPolarHBondContact CB-O 3.2Å; S447-E504 PolarHBondContact OG-O 3.26Å; L502-E504 WeakPolarHBondContact CB-O 3.4Å; L502-E504 PolarHBondContact O-N 2.84Å
505	P	89	Confident	73.4	Confident	47 Å²	47	65 Å²	65	31%	0.305	36%	0.361	S	S	.	.			trans	-72.2	149.7	-177.2	29.4	-35.1	0	0	0	112	S558 C559	P505-S558 WeakPolarHBondContact CB-OG 3.27Å; P505-S558 VanDerWaalsContact CG-OG 3.23Å; P505-S558 WeakPolarHBondContact CG-OG 3.26Å; P505-C559 CarbonylContact C-O 3.55Å; P505-C559 VanDerWaalsContact CA-O 3.26Å; P505-C559 WeakPolarHBondContact CA-O 3.22Å; P505-C559 VanDerWaalsContact CB-O 3.25Å; P505-C559 WeakPolarHBondContact CB-O 3.48Å
506	I	91.1	Very high	72.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.8	171.2	56.8	161	0	0	0	110.6	L443 L491 L502 L508 S558 C559 L562 F565	L443-I506 HydrophobicContact CB-CG2 4.33Å; L443-I506 HydrophobicContact CD2-CG2 4.1Å; L443-I506 HydrophobicContact CG-CG2 3.87Å; L491-I506 HydrophobicContact CD1-CD1 3.53Å; L502-I506 HydrophobicContact CD1-CG2 4.03Å; I506-L508 HydrophobicContact CD1-CD1 3.73Å; I506-L508 HydrophobicContact CD1-CD2 4.43Å; I506-L508 HydrophobicContact CD1-CG 4.2Å; I506-L508 HydrophobicContact CG1-CD1 3.96Å; I506-S558 WeakPolarHBondContact O-CA 3.46Å; I506-C559 HydrophobicContact CG1-CB 4.22Å; I506-C559 VanDerWaalsContact CG1-O 3.32Å; I506-C559 WeakPolarHBondContact CG1-O 3.38Å; I506-C559 PolarHBondContact N-O 3Å; I506-C559 PolarHBondContact O-N 3.24Å; I506-L562 HydrophobicContact CD1-CD2 3.89Å; I506-L562 HydrophobicContact CG2-CD2 4.03Å; I506-F565 HydrophobicContact CD1-CE2 3.76Å; I506-F565 HydrophobicContact CD1-CZ 3.96Å
507	L	92.8	Very high	72.6	Confident	69 Å²	69	58 Å²	58	36%	0.361	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111	177.1	-69.9	170.6	0	0	0	110.1	V441 R442 A548 T556 C557	V441-L507 CarbonylContact C-O 3.53Å; V441-L507 WeakPolarHBondContact CA-O 3.03Å; R442-L507 HydrophobicContact CB-CB 4.34Å; R442-L507 PolarHBondContact N-O 3.43Å; R442-L507 PolarHBondContact O-N 3.48Å; L507-A548 HydrophobicContact CD2-CB 4.18Å; L507-T556 HydrophobicContact CD2-CG2 4.45Å; L507-C557 CarbonylContact C-O 3.59Å; L507-C557 WeakPolarHBondContact CA-O 3.39Å
508	L	93.2	Very high	72.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.9	174.4	-50.7	96.8	0	0	0	109.2	T440 V441 V489 L491 I506 F510 T556 C557 C559 F565	T440-L508 CarbonylContact O-C 3.09Å; T440-L508 WeakPolarHBondContact O-CA 3Å; V441-L508 HydrophobicContact CG1-CG 4.44Å; V441-L508 HydrophobicContact CG2-CD2 4.03Å; V441-L508 HydrophobicContact CG2-CG 4.27Å; V489-L508 HydrophobicContact CG1-CD2 4.25Å; L491-L508 HydrophobicContact CD1-CD2 4.04Å; I506-L508 HydrophobicContact CD1-CD1 3.73Å; I506-L508 HydrophobicContact CD1-CD2 4.43Å; I506-L508 HydrophobicContact CD1-CG 4.2Å; I506-L508 HydrophobicContact CG1-CD1 3.96Å; L508-F510 HydrophobicContact CB-CD2 4.28Å; L508-F510 HydrophobicContact CB-CE2 3.65Å; L508-F510 HydrophobicContact CB-CZ 4.13Å; L508-F510 HydrophobicContact CD2-CE2 4.3Å; L508-F510 HydrophobicContact CD2-CZ 4Å; L508-T556 CarbonylContact O-C 3.4Å; L508-T556 VanDerWaalsContact O-CA 3.29Å; L508-T556 WeakPolarHBondContact O-CA 3.39Å; L508-C557 HydrophobicContact CB-CB 4.42Å; L508-C557 HydrophobicContact CD1-CB 4.43Å; L508-C557 PolarHBondContact N-O 3.3Å; L508-C557 PolarHBondContact O-N 2.95Å; L508-C559 HydrophobicContact CD1-CB 4.15Å; L508-F565 HydrophobicContact CD1-CD1 4.44Å; L508-F565 HydrophobicContact CD1-CD2 4.41Å; L508-F565 HydrophobicContact CD1-CG 4.26Å; L508-F565 HydrophobicContact CD2-CB 3.68Å; L508-F565 HydrophobicContact CD2-CD2 3.5Å; L508-F565 VanDerWaalsContact CD2-CD2 3.5Å; L508-F565 HydrophobicContact CD2-CE2 4.3Å; L508-F565 HydrophobicContact CD2-CG 3.67Å
509	S	91.9	Very high	72.5	Confident	17 Å²	17	56.8 Å²	56.8	12%	0.119	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	105.7	175.5	175.8	0	0	0	0	109.2	T440 V555	T440-S509 PolarHBondContact N-O 3.06Å; T440-S509 PolarHBondContact O-N 2.94Å; S509-V555 WeakPolarHBondContact CA-O 3.22Å
510	F	91.1	Very high	72.8	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.9	-178	-64.9	-86.7	0	0	0	111.5	D439 S486 N487 V489 L508 H554 V555 C557 F565 V567	D439-F510 HydrophobicContact CB-CD1 4.32Å; D439-F510 VanDerWaalsContact OD1-CA 3.23Å; D439-F510 WeakPolarHBondContact OD1-CA 3.04Å; S486-F510 VanDerWaalsContact CB-CD1 3.48Å; N487-F510 WeakPolarHBondContact O-CE1 3.49Å; V489-F510 HydrophobicContact CB-CE1 3.84Å; V489-F510 HydrophobicContact CB-CZ 4.27Å; V489-F510 HydrophobicContact CG2-CD1 4.29Å; V489-F510 HydrophobicContact CG2-CE1 3.65Å; L508-F510 HydrophobicContact CB-CD2 4.28Å; L508-F510 HydrophobicContact CB-CE2 3.65Å; L508-F510 HydrophobicContact CB-CZ 4.13Å; L508-F510 HydrophobicContact CD2-CE2 4.3Å; L508-F510 HydrophobicContact CD2-CZ 4Å; F510-H554 CarbonylContact O-C 3.59Å; F510-H554 WeakPolarHBondContact O-CA 3.39Å; F510-H554 PolarHBondContact O-CD2 3.46Å; F510-V555 PolarHBondContact N-O 2.87Å; F510-V555 PolarHBondContact O-N 2.87Å; F510-C557 HydrophobicContact CE2-CB 4.49Å; F510-F565 HydrophobicContact CZ-CB 3.93Å; F510-V567 HydrophobicContact CB-CG2 4.06Å; F510-V567 HydrophobicContact CD2-CG2 3.46Å; F510-V567 VanDerWaalsContact CD2-CG2 3.46Å; F510-V567 HydrophobicContact CE2-CG2 4.04Å; F510-V567 HydrophobicContact CG-CG2 3.87Å
511	H	85.2	Confident	73.8	Confident	79 Å²	79	57.4 Å²	57.4	37%	0.366	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.9	171.6	-169.8	66.5	0	0	0	110.4	D439 T553 H554	D439-H511 PolarHBondContact OD1-N 2.05Å; H511-T553 PolarHBondContact ND1-O 3.43Å; H511-H554 AromaticContact ND1-CD2 4Å; H511-H554 AromaticContact ND1-CE1 3.67Å; H511-H554 AromaticContact ND1-NE2 3.33Å; H511-H554 PolarHBondContact ND1-NE2 3.35Å
512	S	71.1	Confident	74.5	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.063	33%	0.332	C	S	.	.			trans	-107.7	125.7	179.8	-175.1	0	0	0	0	110.6	K514 T553 M569	S512-K514 PolarHBondContact O-N 3.04Å; S512-T553 PolarHBondContact N-O 2.88Å; S512-M569 VanDerWaalsContact OG-CE 3.27Å; S512-M569 WeakPolarHBondContact OG-CE 3.38Å
513	P	63.5	Low	75.1	Confident	54 Å²	54	56 Å²	56	35%	0.351	33%	0.331	S	S	.	.			trans	-59.5	130.8	170.8	-21	32.3	0	0	0	110.8	S515 L516	P513-S515 PolarHBondContact O-N 2.84Å; P513-L516 PolarHBondContact O-N 3.1Å
514	K	51.8	Low	75.9	Confident	145 Å²	145	51.4 Å²	51.4	63%	0.63	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.6	179.2	-71.9	-161.3	174	-141.2	0	114.7	S512 E552	S512-K514 PolarHBondContact O-N 3.04Å; K514-E552 IonicContact NZ-OE2 2.75Å; K514-E552 PolarHBondContact NZ-OE2 2.96Å
515	S	49.9	Very low	76.4	Confident	104 Å²	104	48.3 Å²	48.3	73%	0.727	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.7	-179	51.2	0	0	0	0	114.6	P513	P513-S515 PolarHBondContact O-N 2.84Å
516	L	53.4	Low	76.5	Confident	35 Å²	35	46.4 Å²	46.4	18%	0.183	27%	0.265	C	S	.	.	S	Bend	trans	-91.8	105.9	171.8	-80.5	76.1	0	0	0	108.3	A485 P513 G518 M569 I571	A485-L516 HydrophobicContact CB-CD2 3.75Å; P513-L516 PolarHBondContact O-N 3.1Å; L516-G518 PolarHBondContact O-N 2.83Å; L516-M569 HydrophobicContact CB-SD 3.96Å; L516-M569 HydrophobicContact CD2-CB 4.05Å; L516-M569 HydrophobicContact CD2-SD 4.11Å; L516-I571 HydrophobicContact CD2-CG1 4.04Å
517	G	50.8	Low	76.4	Confident	60 Å²	60	48 Å²	48	62%	0.619	27%	0.274	S	S	*	.			trans	-62.2	87.6	-172.7	0	0	0	0	0	113.2	K519	G517-K519 PolarHBondContact O-N 3.07Å
518	G	51.8	Low	75.9	Confident	41 Å²	41	45.9 Å²	45.9	42%	0.423	27%	0.265	S	S	.	.			trans	-61.1	81.8	-160.9	0	0	0	0	0	116.8	L516	L516-G518 PolarHBondContact O-N 2.83Å
519	K	58	Low	75.4	Confident	149 Å²	149	51 Å²	51	65%	0.648	29%	0.292	S	S	*	.	S	Bend	trans	-131.7	129.9	159.4	-64	-178.1	-178.4	176.6	0	107.3	G517	G517-K519 PolarHBondContact O-N 3.07Å
520	N	70.9	Confident	74.9	Confident	102 Å²	102	51.4 Å²	51.4	55%	0.545	30%	0.297	S	S	.	.			trans	80.2	43.9	-176	-44	-27.7	0	0	0	116.1
521	A	82.6	Confident	74.1	Confident	6 Å²	6	57.5 Å²	57.5	5%	0.05	33%	0.329	C	S	.	.			trans	-69.3	132.7	164	0	0	0	0	0	111	V555 V567 M569	A521-V555 HydrophobicContact CB-CG1 4.06Å; A521-V555 HydrophobicContact CB-CG2 4.04Å; A521-V567 HydrophobicContact CB-CG1 4.02Å; A521-M569 HydrophobicContact CB-CE 4.08Å; A521-M569 HydrophobicContact CB-CG 4.34Å
522	H	87.4	Confident	73.1	Confident	67 Å²	67	54.1 Å²	54.1	31%	0.31	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.8	175.9	-71.6	-55.4	0	0	0	111.2	K542 V567 L568	H522-K542 PolarHBondContact CD2-NZ 2.65Å; H522-K542 VanDerWaalsContact CD2-NZ 3.34Å; H522-K542 PolarHBondContact CE1-NZ 3.18Å; H522-K542 PolarHBondContact NE2-NZ 3.3Å; H522-V567 WeakPolarHBondContact O-CA 3.24Å; H522-L568 HydrophobicContact CB-CB 4.43Å; H522-L568 PolarHBondContact N-O 2.96Å; H522-L568 PolarHBondContact O-N 2.97Å
523	C	91.8	Very high	72.4	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.6	169.1	-58.2	0	0	0	0	109.9	C545 S546 C557	C523-C545 HydrophobicContact CB-CB 4.2Å; C523-S546 PolarHBondContact SG-O 2.92Å; C523-C557 HydrophobicContact CB-CB 3.6Å; C523-C557 WeakPolarHBondContact CB-SG 3.35Å; C523-C557 WeakPolarHBondContact SG-CA 3.33Å; C523-C557 WeakPolarHBondContact SG-CB 3.16Å; C523-C557 CovalentContact SG-SG 2.03Å; C523-C557 PolarHBondContact SG-SG 3.47Å
524	V	93	Very high	72.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	164.8	-179.6	-69.9	0	0	0	0	111.6	W540 S541 K542 F565 A566 L568	V524-W540 HydrophobicContact CB-CB 4.22Å; V524-W540 HydrophobicContact CB-CE3 4.06Å; V524-W540 HydrophobicContact CG1-CB 4.47Å; V524-W540 HydrophobicContact CG2-CB 4.21Å; V524-W540 HydrophobicContact CG2-CD2 3.92Å; V524-W540 HydrophobicContact CG2-CE3 3.49Å; V524-W540 VanDerWaalsContact CG2-CE3 3.49Å; V524-W540 HydrophobicContact CG2-CG 4.23Å; V524-W540 HydrophobicContact CG2-CZ3 4.23Å; V524-S541 CarbonylContact C-O 3.49Å; V524-S541 WeakPolarHBondContact CA-O 3.23Å; V524-S541 VanDerWaalsContact CB-O 3.3Å; V524-S541 WeakPolarHBondContact CB-O 3.41Å; V524-K542 HydrophobicContact CG1-CG 3.71Å; V524-F565 WeakPolarHBondContact O-CA 3.13Å; V524-A566 HydrophobicContact CG2-CB 4.45Å; V524-A566 WeakPolarHBondContact CG2-O 3.19Å; V524-A566 PolarHBondContact N-O 3.01Å; V524-A566 PolarHBondContact O-N 3.13Å; V524-A566 VanDerWaalsContact O-O 3.14Å; V524-L568 HydrophobicContact CG1-CD1 3.87Å; V524-L568 HydrophobicContact CG1-CG 4.35Å; V524-L568 HydrophobicContact CG2-CD1 4.03Å; V524-L568 HydrophobicContact CG2-CG 3.77Å
525	F	93.3	Very high	72.8	Confident	18 Å²	18	52 Å²	52	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.6	169.7	78.8	-84.5	0	0	0	111.9	D527 W540 S541 E543 H561 T563 S564 F565	F525-D527 HydrophobicContact CD2-CB 4.39Å; F525-D527 HydrophobicContact CE2-CB 3.63Å; F525-D527 HydrophobicContact CZ-CB 4.07Å; F525-D527 PolarHBondContact O-N 3.12Å; F525-W540 CarbonylContact O-C 3.54Å; F525-W540 WeakPolarHBondContact O-CA 3.45Å; F525-S541 VanDerWaalsContact CD1-O 3.3Å; F525-S541 WeakPolarHBondContact CD1-O 3.3Å; F525-S541 VanDerWaalsContact CE1-CB 3.41Å; F525-S541 WeakPolarHBondContact CE1-OG 3.47Å; F525-S541 PolarHBondContact N-O 3.39Å; F525-S541 PolarHBondContact O-N 3.41Å; F525-E543 WeakPolarHBondContact CD1-O 3.34Å; F525-E543 HydrophobicContact CE1-CB 4.11Å; F525-E543 WeakPolarHBondContact CE1-O 3.45Å; F525-H561 AromaticContact CD1-CE1 3.46Å; F525-H561 VanDerWaalsContact CD1-CE1 3.46Å; F525-H561 WeakPolarHBondContact CD1-CE1 3.14Å; F525-H561 AromaticContact CD1-NE2 3.52Å; F525-H561 AromaticContact CD2-CE1 3.88Å; F525-H561 AromaticContact CE1-CE1 3.94Å; F525-H561 AromaticContact CE1-NE2 3.63Å; F525-H561 AromaticContact CG-CE1 3.42Å; F525-H561 VanDerWaalsContact CG-CE1 3.42Å; F525-H561 WeakPolarHBondContact CG-CE1 3.41Å; F525-H561 AromaticContact CG-NE2 3.96Å; F525-T563 HydrophobicContact CB-CG2 3.56Å; F525-T563 HydrophobicContact CD2-CG2 3.69Å; F525-T563 HydrophobicContact CG-CG2 3.91Å; F525-S564 CarbonylContact C-O 3.53Å; F525-S564 WeakPolarHBondContact CA-O 3.19Å; F525-S564 WeakPolarHBondContact CB-O 3.41Å; F525-F565 HydrophobicContact CB-CD1 3.83Å; F525-F565 HydrophobicContact CB-CE1 3.99Å
526	W	91.5	Very high	73.7	Confident	6 Å²	6	49.1 Å²	49.1	2%	0.023	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	105.2	175.9	-169.7	-103.4	0	0	0	110.4	R378 L470 S528 W540 S564	R378-W526 HydrophobicContact CG-CH2 3.95Å; R378-W526 HydrophobicContact CG-CZ2 4.24Å; R378-W526 VanDerWaalsContact CZ-CH2 3.49Å; L470-W526 HydrophobicContact CB-CH2 4.13Å; L470-W526 HydrophobicContact CB-CZ3 3.87Å; L470-W526 HydrophobicContact CD1-CE3 4.39Å; L470-W526 HydrophobicContact CD1-CZ3 4.41Å; L470-W526 HydrophobicContact CD2-CH2 3.68Å; L470-W526 HydrophobicContact CD2-CZ2 3.9Å; L470-W526 HydrophobicContact CD2-CZ3 4.22Å; L470-W526 HydrophobicContact CG-CH2 4.34Å; L470-W526 HydrophobicContact CG-CZ3 4.39Å; W526-S528 PolarHBondContact O-N 3.34Å; W526-W540 HydrophobicContact CB-CE3 4.34Å; W526-W540 HydrophobicContact CB-CH2 4.26Å; W526-W540 HydrophobicContact CB-CZ3 3.94Å; W526-W540 AromaticContact CE3-CD2 3.74Å; W526-W540 HydrophobicContact CE3-CD2 3.74Å; W526-W540 AromaticContact CE3-CE2 3.55Å; W526-W540 HydrophobicContact CE3-CE3 4.16Å; W526-W540 HydrophobicContact CE3-CG 4.15Å; W526-W540 HydrophobicContact CE3-CH2 4.19Å; W526-W540 AromaticContact CE3-CZ2 3.79Å; W526-W540 HydrophobicContact CE3-CZ2 3.79Å; W526-W540 HydrophobicContact CE3-CZ3 4.38Å; W526-W540 AromaticContact CE3-NE1 3.86Å; W526-W540 AromaticContact CZ3-CD1 3.93Å; W526-W540 HydrophobicContact CZ3-CD2 4.24Å; W526-W540 AromaticContact CZ3-CE2 3.81Å; W526-W540 HydrophobicContact CZ3-CG 4.29Å; W526-W540 HydrophobicContact CZ3-CZ2 4.26Å; W526-W540 AromaticContact CZ3-NE1 3.63Å; W526-S564 PolarHBondContact N-O 3.24Å
527	D	89.4	Confident	74.7	Confident	34 Å²	34	49.8 Å²	49.8	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	96.2	168.4	-169.8	5.2	0	0	0	110.5	R498 F525 N529 A530 G538 E539	R498-D527 IonicContact NH1-OD1 3.87Å; F525-D527 HydrophobicContact CD2-CB 4.39Å; F525-D527 HydrophobicContact CE2-CB 3.63Å; F525-D527 HydrophobicContact CZ-CB 4.07Å; F525-D527 PolarHBondContact O-N 3.12Å; D527-N529 PolarHBondContact O-N 3.05Å; D527-N529 VanDerWaalsContact O-N 3.13Å; D527-N529 WeakPolarHBondContact OD1-CB 3.45Å; D527-N529 PolarHBondContact OD1-N 2.93Å; D527-A530 HydrophobicContact CB-CB 4.02Å; D527-A530 PolarHBondContact O-N 3.19Å; D527-G538 CarbonylContact O-C 3.56Å; D527-G538 VanDerWaalsContact O-CA 3.25Å; D527-G538 WeakPolarHBondContact O-CA 3.31Å; D527-E539 PolarHBondContact N-O 3.49Å; D527-E539 PolarHBondContact O-N 3.48Å
528	S	83	Confident	76.2	Confident	25 Å²	25	47 Å²	47	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	-17	171.9	61.4	0	0	0	0	114.8	R498 W526 S537	R498-S528 PolarHBondContact NH1-OG 3.09Å; R498-S528 PolarHBondContact NH2-OG 3.16Å; W526-S528 PolarHBondContact O-N 3.34Å; S528-S537 WeakPolarHBondContact O-CB 3.21Å
529	N	81.3	Confident	77.8	Confident	109 Å²	109	48.5 Å²	48.5	58%	0.583	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	-17.6	-174.1	-57	-10.9	0	0	0	112.2	D527	D527-N529 PolarHBondContact O-N 3.05Å; D527-N529 VanDerWaalsContact O-N 3.13Å; D527-N529 WeakPolarHBondContact OD1-CB 3.45Å; D527-N529 PolarHBondContact OD1-N 2.93Å
530	A	81.3	Confident	79.3	Confident	25 Å²	25	42.2 Å²	42.2	21%	0.207	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.4	171.8	0	0	0	0	0	110	D527 G532 S537 G538 E539	D527-A530 HydrophobicContact CB-CB 4.02Å; D527-A530 PolarHBondContact O-N 3.19Å; A530-G532 PolarHBondContact O-N 3.45Å; A530-S537 CarbonylContact O-C 3.45Å; A530-S537 WeakPolarHBondContact O-CA 3.22Å; A530-G538 PolarHBondContact O-N 3Å; A530-E539 HydrophobicContact CB-CB 3.91Å
531	L	74.9	Confident	80.2	Confident	133 Å²	133	38.5 Å²	38.5	70%	0.696	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.9	173.2	-161.8	77	0	0	0	108	G535	L531-G535 WeakPolarHBondContact CD1-O 3.3Å
532	G	63.6	Low	80.5	Confident	7 Å²	7	43 Å²	43	7%	0.072	26%	0.255	C	S	.	.			trans	-70	169.8	-176.8	0	0	0	0	0	112.9	A530 S534 G535 I536	A530-G532 PolarHBondContact O-N 3.45Å; G532-S534 PolarHBondContact O-N 3.13Å; G532-G535 PolarHBondContact O-N 3.24Å; G532-I536 PolarHBondContact N-O 2.85Å
533	A	58.3	Low	80.6	Confident	68 Å²	68	46.6 Å²	46.6	56%	0.562	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.7	-175.2	0	0	0	0	0	115.4	I473 G535	I473-A533 HydrophobicContact CG2-CB 4.34Å; A533-G535 VanDerWaalsContact C-N 3.32Å
534	S	57.8	Low	80.5	Confident	48 Å²	48	47.9 Å²	47.9	34%	0.336	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.1	174	56.9	0	0	0	0	114.5	D375 G532 I536	D375-S534 WeakPolarHBondContact OD1-CB 3.25Å; D375-S534 PolarHBondContact OD1-OG 3.05Å; G532-S534 PolarHBondContact O-N 3.13Å; S534-I536 PolarHBondContact O-N 3.09Å
535	G	65.3	Low	80.5	Confident	49 Å²	49	48.7 Å²	48.7	51%	0.505	29%	0.292	S	S	.	.	S	Bend	trans	78.1	4.2	-178.3	0	0	0	0	0	114.5	L531 G532 A533	L531-G535 WeakPolarHBondContact CD1-O 3.3Å; G532-G535 PolarHBondContact O-N 3.24Å; A533-G535 VanDerWaalsContact C-N 3.32Å
536	I	67.7	Low	80.5	Confident	43 Å²	43	50.9 Å²	50.9	22%	0.221	31%	0.309	C	S	.	.			trans	-97.6	138.8	179.9	-60.7	-175.1	0	0	0	110.2	D375 G532 S534	D375-I536 HydrophobicContact CB-CD1 3.4Å; D375-I536 VanDerWaalsContact CB-CD1 3.4Å; G532-I536 PolarHBondContact N-O 2.85Å; S534-I536 PolarHBondContact O-N 3.09Å
537	S	76.1	Confident	80.5	Confident	49 Å²	49	54.4 Å²	54.4	34%	0.343	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.5	175.4	63.1	0	0	0	0	112	Q382 S528 A530	Q382-S537 PolarHBondContact NE2-OG 3.37Å; Q382-S537 PolarHBondContact OE1-O 2.95Å; S528-S537 WeakPolarHBondContact O-CB 3.21Å; A530-S537 CarbonylContact O-C 3.45Å; A530-S537 WeakPolarHBondContact O-CA 3.22Å
538	G	80.7	Confident	80.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	117.6	108.4	175.6	0	0	0	0	0	113.2	R378 D527 A530	R378-G538 VanDerWaalsContact CZ-O 3.26Å; R378-G538 PolarHBondContact NE-O 3.45Å; R378-G538 PolarHBondContact NH2-O 2.88Å; D527-G538 CarbonylContact O-C 3.56Å; D527-G538 VanDerWaalsContact O-CA 3.25Å; D527-G538 WeakPolarHBondContact O-CA 3.31Å; A530-G538 PolarHBondContact O-N 3Å
539	E	86.9	Confident	80.7	Confident	73 Å²	73	56 Å²	56	34%	0.341	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.8	174.7	-169.5	163.7	-169.7	0	0	113.1	D527 A530 S541	D527-E539 PolarHBondContact N-O 3.49Å; D527-E539 PolarHBondContact O-N 3.48Å; A530-E539 HydrophobicContact CB-CB 3.91Å; E539-S541 PolarHBondContact O-N 2.99Å
540	W	89.4	Confident	80.8	Confident	18 Å²	18	53.8 Å²	53.8	7%	0.068	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	102.3	173.2	-72.3	112.9	0	0	0	110.8	L470 V484 V488 V524 F525 W526 A566 L568	L470-W540 HydrophobicContact CB-CZ2 4.06Å; L470-W540 HydrophobicContact CD1-CZ2 4.18Å; L470-W540 PolarHBondContact O-NE1 3.44Å; V484-W540 HydrophobicContact CG2-CZ2 3.89Å; V488-W540 HydrophobicContact CG1-CH2 4.1Å; V488-W540 HydrophobicContact CG2-CH2 4Å; V488-W540 HydrophobicContact CG2-CZ2 4.29Å; V524-W540 HydrophobicContact CB-CB 4.22Å; V524-W540 HydrophobicContact CB-CE3 4.06Å; V524-W540 HydrophobicContact CG1-CB 4.47Å; V524-W540 HydrophobicContact CG2-CB 4.21Å; V524-W540 HydrophobicContact CG2-CD2 3.92Å; V524-W540 HydrophobicContact CG2-CE3 3.49Å; V524-W540 VanDerWaalsContact CG2-CE3 3.49Å; V524-W540 HydrophobicContact CG2-CG 4.23Å; V524-W540 HydrophobicContact CG2-CZ3 4.23Å; F525-W540 CarbonylContact O-C 3.54Å; F525-W540 WeakPolarHBondContact O-CA 3.45Å; W526-W540 HydrophobicContact CB-CE3 4.34Å; W526-W540 HydrophobicContact CB-CH2 4.26Å; W526-W540 HydrophobicContact CB-CZ3 3.94Å; W526-W540 AromaticContact CE3-CD2 3.74Å; W526-W540 HydrophobicContact CE3-CD2 3.74Å; W526-W540 AromaticContact CE3-CE2 3.55Å; W526-W540 HydrophobicContact CE3-CE3 4.16Å; W526-W540 HydrophobicContact CE3-CG 4.15Å; W526-W540 HydrophobicContact CE3-CH2 4.19Å; W526-W540 AromaticContact CE3-CZ2 3.79Å; W526-W540 HydrophobicContact CE3-CZ2 3.79Å; W526-W540 HydrophobicContact CE3-CZ3 4.38Å; W526-W540 AromaticContact CE3-NE1 3.86Å; W526-W540 AromaticContact CZ3-CD1 3.93Å; W526-W540 HydrophobicContact CZ3-CD2 4.24Å; W526-W540 AromaticContact CZ3-CE2 3.81Å; W526-W540 HydrophobicContact CZ3-CG 4.29Å; W526-W540 HydrophobicContact CZ3-CZ2 4.26Å; W526-W540 AromaticContact CZ3-NE1 3.63Å; W540-A566 HydrophobicContact CE3-CB 4.46Å; W540-A566 HydrophobicContact CH2-CB 3.65Å; W540-A566 HydrophobicContact CZ2-CB 4.3Å; W540-A566 HydrophobicContact CZ3-CB 3.74Å; W540-L568 HydrophobicContact CB-CD1 4.07Å; W540-L568 HydrophobicContact CG-CD1 4.37Å
541	S	89.1	Confident	80.6	Confident	24 Å²	24	58.4 Å²	58.4	17%	0.168	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.8	175.8	178.9	0	0	0	0	111.8	V524 F525 E539 E543	V524-S541 CarbonylContact C-O 3.49Å; V524-S541 WeakPolarHBondContact CA-O 3.23Å; V524-S541 VanDerWaalsContact CB-O 3.3Å; V524-S541 WeakPolarHBondContact CB-O 3.41Å; F525-S541 VanDerWaalsContact CD1-O 3.3Å; F525-S541 WeakPolarHBondContact CD1-O 3.3Å; F525-S541 VanDerWaalsContact CE1-CB 3.41Å; F525-S541 WeakPolarHBondContact CE1-OG 3.47Å; F525-S541 PolarHBondContact N-O 3.39Å; F525-S541 PolarHBondContact O-N 3.41Å; E539-S541 PolarHBondContact O-N 2.99Å; S541-E543 WeakPolarHBondContact OG-CG 3.46Å; S541-E543 PolarHBondContact OG-N 3.16Å; S541-E543 VanDerWaalsContact OG-N 3.13Å
542	K	89.8	Confident	80.6	Confident	99 Å²	99	59.1 Å²	59.1	43%	0.43	36%	0.357	S	S	.	.			trans	-92.5	-8.2	172.3	-67.7	176.9	-177.8	-175	0	112.4	H522 V524 G544 C545	H522-K542 PolarHBondContact CD2-NZ 2.65Å; H522-K542 VanDerWaalsContact CD2-NZ 3.34Å; H522-K542 PolarHBondContact CE1-NZ 3.18Å; H522-K542 PolarHBondContact NE2-NZ 3.3Å; V524-K542 HydrophobicContact CG1-CG 3.71Å; K542-G544 PolarHBondContact O-N 2.81Å; K542-C545 PolarHBondContact O-N 3.28Å; K542-C545 VanDerWaalsContact O-N 3.14Å; K542-C545 VanDerWaalsContact O-O 3.1Å
543	E	89.6	Confident	81.3	Confident	143 Å²	143	61 Å²	61	67%	0.668	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	137	-171.7	-65.7	-176.6	168.1	0	0	112.1	F525 S541 C545 H561	F525-E543 WeakPolarHBondContact CD1-O 3.34Å; F525-E543 HydrophobicContact CE1-CB 4.11Å; F525-E543 WeakPolarHBondContact CE1-O 3.45Å; S541-E543 WeakPolarHBondContact OG-CG 3.46Å; S541-E543 PolarHBondContact OG-N 3.16Å; S541-E543 VanDerWaalsContact OG-N 3.13Å; E543-C545 PolarHBondContact O-N 2.62Å; E543-C545 VanDerWaalsContact O-N 3.09Å; E543-H561 PolarHBondContact O-NE2 3.15Å
544	G	88.9	Confident	82.6	Confident	34 Å²	34	59.8 Å²	59.8	35%	0.351	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	-3.6	-176.2	0	0	0	0	0	115.9	K542 C559 N560	K542-G544 PolarHBondContact O-N 2.81Å; G544-C559 CarbonylContact O-C 3.58Å; G544-C559 VanDerWaalsContact O-CA 3.26Å; G544-C559 WeakPolarHBondContact O-CA 3.5Å; G544-N560 WeakPolarHBondContact CA-OD1 3.32Å; G544-N560 PolarHBondContact O-N 3.41Å; G544-N560 PolarHBondContact O-OD1 2.95Å
545	C	93.6	Very high	84.1	Confident	18 Å²	18	57.6 Å²	57.6	12%	0.122	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.9	179.8	-78.2	0	0	0	0	112.7	C523 K542 E543 S558 C559 F565	C523-C545 HydrophobicContact CB-CB 4.2Å; K542-C545 PolarHBondContact O-N 3.28Å; K542-C545 VanDerWaalsContact O-N 3.14Å; K542-C545 VanDerWaalsContact O-O 3.1Å; E543-C545 PolarHBondContact O-N 2.62Å; E543-C545 VanDerWaalsContact O-N 3.09Å; C545-S558 CarbonylContact C-O 3.28Å; C545-S558 WeakPolarHBondContact CA-O 3.36Å; C545-C559 HydrophobicContact CB-CB 4.24Å; C545-C559 WeakPolarHBondContact CB-SG 3.28Å; C545-C559 WeakPolarHBondContact SG-CB 3.36Å; C545-C559 CovalentContact SG-SG 2.05Å; C545-C559 PolarHBondContact SG-SG 3.02Å; C545-F565 VanDerWaalsContact SG-CE1 3.57Å
546	S	92.8	Very high	85.3	Confident	63 Å²	63	57.1 Å²	57.1	44%	0.441	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.9	-178.9	61.3	0	0	0	0	111.5	C523 A548 C557 S558	C523-S546 PolarHBondContact SG-O 2.92Å; S546-A548 PolarHBondContact O-N 3.23Å; S546-C557 CarbonylContact O-C 3.48Å; S546-C557 WeakPolarHBondContact O-CA 3.47Å; S546-S558 PolarHBondContact N-O 3.36Å; S546-S558 PolarHBondContact O-N 2.95Å; S546-S558 PolarHBondContact OG-O 3.32Å
547	L	90.9	Very high	86.6	Confident	81 Å²	81	55.1 Å²	55.1	42%	0.424	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	115.7	173.9	-176.6	69.2	0	0	0	109.2	V555	L547-V555 HydrophobicContact CD1-CG1 3.56Å
548	A	91.4	Very high	87.5	Confident	62 Å²	62	53.8 Å²	53.8	51%	0.512	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-28.4	177.5	0	0	0	0	0	112.5	L507 S546 T556	L507-A548 HydrophobicContact CD2-CB 4.18Å; S546-A548 PolarHBondContact O-N 3.23Å; A548-T556 WeakPolarHBondContact CA-O 3.46Å; A548-T556 HydrophobicContact CB-CG2 4.17Å; A548-T556 PolarHBondContact N-O 3.48Å
549	G	86.4	Confident	88.1	Confident	30 Å²	30	53.9 Å²	53.9	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	160	175.4	0	0	0	0	0	112.5	T556	G549-T556 PolarHBondContact N-O 2.95Å; G549-T556 VanDerWaalsContact N-O 3.16Å; G549-T556 PolarHBondContact O-N 3.45Å
550	Q	82.4	Confident	88.3	Confident	63 Å²	63	52.7 Å²	52.7	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	127.3	177.1	177.2	170	15.9	0	0	110.1	V555	Q550-V555 HydrophobicContact CG-CG2 4.13Å
551	N	78	Confident	88.3	Confident	121 Å²	121	52.5 Å²	52.5	65%	0.647	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	169.8	171.3	-69.2	-11.1	0	0	0	109.2	T553 H554	N551-T553 PolarHBondContact O-N 3.38Å; N551-H554 PolarHBondContact N-O 3.1Å; N551-H554 PolarHBondContact O-N 3.42Å; N551-H554 VanDerWaalsContact O-O 3.1Å
552	E	73.3	Confident	88.3	Confident	148 Å²	148	51.6 Å²	51.6	69%	0.692	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.3	179.5	-66.6	-168.7	173.2	0	0	115.2	K514	K514-E552 IonicContact NZ-OE2 2.75Å; K514-E552 PolarHBondContact NZ-OE2 2.96Å
553	T	78.6	Confident	88.3	Confident	47 Å²	47	47 Å²	47	29%	0.288	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-13.8	-173.2	53.1	0	0	0	0	113.8	H511 S512 N551	H511-T553 PolarHBondContact ND1-O 3.43Å; S512-T553 PolarHBondContact N-O 2.88Å; N551-T553 PolarHBondContact O-N 3.38Å
554	H	85.7	Confident	88.5	Confident	43 Å²	43	40.5 Å²	40.5	20%	0.199	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143.4	-172.1	-65.9	90.3	0	0	0	112.8	F510 H511 N551	F510-H554 CarbonylContact O-C 3.59Å; F510-H554 WeakPolarHBondContact O-CA 3.39Å; F510-H554 PolarHBondContact O-CD2 3.46Å; H511-H554 AromaticContact ND1-CD2 4Å; H511-H554 AromaticContact ND1-CE1 3.67Å; H511-H554 AromaticContact ND1-NE2 3.33Å; H511-H554 PolarHBondContact ND1-NE2 3.35Å; N551-H554 PolarHBondContact N-O 3.1Å; N551-H554 PolarHBondContact O-N 3.42Å; N551-H554 VanDerWaalsContact O-O 3.1Å
555	V	88.6	Confident	88.8	Confident	1 Å²	1	39 Å²	39	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	171.5	176.8	0	0	0	0	108.5	S509 F510 A521 L547 Q550 V567 M569	S509-V555 WeakPolarHBondContact CA-O 3.22Å; F510-V555 PolarHBondContact N-O 2.87Å; F510-V555 PolarHBondContact O-N 2.87Å; A521-V555 HydrophobicContact CB-CG1 4.06Å; A521-V555 HydrophobicContact CB-CG2 4.04Å; L547-V555 HydrophobicContact CD1-CG1 3.56Å; Q550-V555 HydrophobicContact CG-CG2 4.13Å; V555-V567 HydrophobicContact CB-CG1 4.37Å; V555-V567 HydrophobicContact CB-CG2 4.04Å; V555-V567 HydrophobicContact CG1-CG1 3.98Å; V555-V567 HydrophobicContact CG1-CG2 3.78Å; V555-V567 HydrophobicContact CG2-CG1 4.33Å; V555-M569 HydrophobicContact CG2-CE 3.48Å; V555-M569 VanDerWaalsContact CG2-CE 3.48Å
556	T	92	Very high	88.8	Confident	39 Å²	39	38.1 Å²	38.1	24%	0.239	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.1	179.3	-48.9	0	0	0	0	110.4	L507 L508 A548 G549	L507-T556 HydrophobicContact CD2-CG2 4.45Å; L508-T556 CarbonylContact O-C 3.4Å; L508-T556 VanDerWaalsContact O-CA 3.29Å; L508-T556 WeakPolarHBondContact O-CA 3.39Å; A548-T556 WeakPolarHBondContact CA-O 3.46Å; A548-T556 HydrophobicContact CB-CG2 4.17Å; A548-T556 PolarHBondContact N-O 3.48Å; G549-T556 PolarHBondContact N-O 2.95Å; G549-T556 VanDerWaalsContact N-O 3.16Å; G549-T556 PolarHBondContact O-N 3.45Å
557	C	94.4	Very high	88.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.9	179.1	-64.4	0	0	0	0	111	L507 L508 F510 C523 S546	L507-C557 CarbonylContact C-O 3.59Å; L507-C557 WeakPolarHBondContact CA-O 3.39Å; L508-C557 HydrophobicContact CB-CB 4.42Å; L508-C557 HydrophobicContact CD1-CB 4.43Å; L508-C557 PolarHBondContact N-O 3.3Å; L508-C557 PolarHBondContact O-N 2.95Å; F510-C557 HydrophobicContact CE2-CB 4.49Å; C523-C557 HydrophobicContact CB-CB 3.6Å; C523-C557 WeakPolarHBondContact CB-SG 3.35Å; C523-C557 WeakPolarHBondContact SG-CA 3.33Å; C523-C557 WeakPolarHBondContact SG-CB 3.16Å; C523-C557 CovalentContact SG-SG 2.03Å; C523-C557 PolarHBondContact SG-SG 3.47Å; S546-C557 CarbonylContact O-C 3.48Å; S546-C557 WeakPolarHBondContact O-CA 3.47Å
558	S	94.1	Very high	88.5	Confident	21 Å²	21	31.8 Å²	31.8	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.8	172.2	173.9	0	0	0	0	108.6	P505 I506 C545 S546	P505-S558 WeakPolarHBondContact CB-OG 3.27Å; P505-S558 VanDerWaalsContact CG-OG 3.23Å; P505-S558 WeakPolarHBondContact CG-OG 3.26Å; I506-S558 WeakPolarHBondContact O-CA 3.46Å; C545-S558 CarbonylContact C-O 3.28Å; C545-S558 WeakPolarHBondContact CA-O 3.36Å; S546-S558 PolarHBondContact N-O 3.36Å; S546-S558 PolarHBondContact O-N 2.95Å; S546-S558 PolarHBondContact OG-O 3.32Å
559	C	94.1	Very high	87.7	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.4	-176.4	-63.6	0	0	0	0	112.1	P505 I506 L508 G544 C545 F565	P505-C559 CarbonylContact C-O 3.55Å; P505-C559 VanDerWaalsContact CA-O 3.26Å; P505-C559 WeakPolarHBondContact CA-O 3.22Å; P505-C559 VanDerWaalsContact CB-O 3.25Å; P505-C559 WeakPolarHBondContact CB-O 3.48Å; I506-C559 HydrophobicContact CG1-CB 4.22Å; I506-C559 VanDerWaalsContact CG1-O 3.32Å; I506-C559 WeakPolarHBondContact CG1-O 3.38Å; I506-C559 PolarHBondContact N-O 3Å; I506-C559 PolarHBondContact O-N 3.24Å; L508-C559 HydrophobicContact CD1-CB 4.15Å; G544-C559 CarbonylContact O-C 3.58Å; G544-C559 VanDerWaalsContact O-CA 3.26Å; G544-C559 WeakPolarHBondContact O-CA 3.5Å; C545-C559 HydrophobicContact CB-CB 4.24Å; C545-C559 WeakPolarHBondContact CB-SG 3.28Å; C545-C559 WeakPolarHBondContact SG-CB 3.36Å; C545-C559 CovalentContact SG-SG 2.05Å; C545-C559 PolarHBondContact SG-SG 3.02Å; C559-F565 HydrophobicContact CB-CD1 4.2Å; C559-F565 HydrophobicContact CB-CE1 3.54Å; C559-F565 HydrophobicContact CB-CZ 4.09Å; C559-F565 VanDerWaalsContact SG-CE1 3.56Å
560	N	91.4	Very high	86.6	Confident	48 Å²	48	29 Å²	29	26%	0.257	15%	0.152	S	C	.	.	S	Bend	trans	-98.4	18.1	-174.4	79.4	-22.1	0	0	0	114.7	D501 L502 G544	D501-N560 PolarHBondContact N-O 3.38Å; L502-N560 WeakPolarHBondContact CG-O 3.44Å; L502-N560 PolarHBondContact N-O 3.23Å; G544-N560 WeakPolarHBondContact CA-OD1 3.32Å; G544-N560 PolarHBondContact O-N 3.41Å; G544-N560 PolarHBondContact O-OD1 2.95Å
561	H	89.8	Confident	85.3	Confident	15 Å²	15	29.1 Å²	29.1	7%	0.069	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-144.8	176.5	177.8	54.3	69.7	0	0	0	111.5	L499 F525 E543 T563 F565	L499-H561 CarbonylContact O-C 3.43Å; L499-H561 WeakPolarHBondContact O-CA 3.03Å; L499-H561 VanDerWaalsContact O-CB 3.31Å; L499-H561 WeakPolarHBondContact O-CB 3.31Å; F525-H561 AromaticContact CD1-CE1 3.46Å; F525-H561 VanDerWaalsContact CD1-CE1 3.46Å; F525-H561 WeakPolarHBondContact CD1-CE1 3.14Å; F525-H561 AromaticContact CD1-NE2 3.52Å; F525-H561 AromaticContact CD2-CE1 3.88Å; F525-H561 AromaticContact CE1-CE1 3.94Å; F525-H561 AromaticContact CE1-NE2 3.63Å; F525-H561 AromaticContact CG-CE1 3.42Å; F525-H561 VanDerWaalsContact CG-CE1 3.42Å; F525-H561 WeakPolarHBondContact CG-CE1 3.41Å; F525-H561 AromaticContact CG-NE2 3.96Å; E543-H561 PolarHBondContact O-NE2 3.15Å; H561-T563 VanDerWaalsContact ND1-CG2 3.31Å; H561-T563 WeakPolarHBondContact ND1-CG2 3.21Å; H561-F565 AromaticContact CE1-CE1 3.54Å; H561-F565 AromaticContact ND1-CE1 3.65Å; H561-F565 AromaticContact ND1-CZ 3.62Å; H561-F565 VanDerWaalsContact O-CZ 3.31Å; H561-F565 WeakPolarHBondContact O-CZ 3.45Å
562	L	88.7	Confident	84	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.144	C	C	.	.			trans	-119.9	121	176.5	-60.9	-174.7	0	0	0	111	L443 L491 V493 L499 L502 I506	L443-L562 HydrophobicContact CD2-CD2 4.32Å; L491-L562 HydrophobicContact CB-CD2 4.24Å; L491-L562 CarbonylContact O-C 3.5Å; L491-L562 WeakPolarHBondContact O-CB 3.5Å; V493-L562 HydrophobicContact CG2-CD1 3.7Å; L499-L562 HydrophobicContact CB-CB 4.38Å; L499-L562 HydrophobicContact CB-CD1 4.06Å; L499-L562 HydrophobicContact CB-CG 4.14Å; L499-L562 HydrophobicContact CD1-CD1 3.88Å; L499-L562 PolarHBondContact O-N 3.44Å; L502-L562 HydrophobicContact CD1-CD2 4.05Å; L502-L562 HydrophobicContact CD1-CG 4.23Å; I506-L562 HydrophobicContact CD1-CD2 3.89Å; I506-L562 HydrophobicContact CG2-CD2 4.03Å
563	T	90.4	Very high	82.7	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.025	14%	0.137	C	C	.	.	S	Bend	trans	-169.4	-158	-175.6	-174.1	0	0	0	0	110	T490 L491 F525 H561 F565	T490-T563 WeakPolarHBondContact CA-O 3.26Å; L491-T563 PolarHBondContact N-O 3.09Å; L491-T563 PolarHBondContact O-N 3.05Å; F525-T563 HydrophobicContact CB-CG2 3.56Å; F525-T563 HydrophobicContact CD2-CG2 3.69Å; F525-T563 HydrophobicContact CG-CG2 3.91Å; H561-T563 VanDerWaalsContact ND1-CG2 3.31Å; H561-T563 WeakPolarHBondContact ND1-CG2 3.21Å; T563-F565 HydrophobicContact CG2-CD1 4.32Å; T563-F565 HydrophobicContact CG2-CE1 3.7Å; T563-F565 HydrophobicContact CG2-CE2 3.97Å; T563-F565 HydrophobicContact CG2-CZ 3.5Å; T563-F565 WeakPolarHBondContact O-CD2 3.32Å; T563-F565 VanDerWaalsContact O-CE2 3.25Å; T563-F565 WeakPolarHBondContact O-CE2 3.46Å
564	S	93.2	Very high	81.2	Confident	6 Å²	6	24.2 Å²	24.2	4%	0.042	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.3	170.3	-51.6	0	0	0	0	112	M385 V489 T490 F525 W526	M385-S564 VanDerWaalsContact CE-CB 3.45Å; M385-S564 WeakPolarHBondContact CE-OG 3.3Å; V489-S564 CarbonylContact O-C 3.59Å; V489-S564 WeakPolarHBondContact O-CA 3.32Å; T490-S564 WeakPolarHBondContact CG2-OG 3.36Å; T490-S564 PolarHBondContact OG1-OG 2.79Å; F525-S564 CarbonylContact C-O 3.53Å; F525-S564 WeakPolarHBondContact CA-O 3.19Å; F525-S564 WeakPolarHBondContact CB-O 3.41Å; W526-S564 PolarHBondContact N-O 3.24Å
565	F	95	Very high	79.4	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.7	-175.4	-59.8	-80	0	0	0	112.7	V488 V489 L491 I506 L508 F510 V524 F525 C545 C559 H561 T563	V488-F565 CarbonylContact C-O 3.58Å; V488-F565 WeakPolarHBondContact CA-O 3.41Å; V489-F565 PolarHBondContact N-O 2.6Å; V489-F565 PolarHBondContact O-N 3.14Å; L491-F565 HydrophobicContact CD1-CD2 4.22Å; L491-F565 HydrophobicContact CD1-CE2 4.07Å; I506-F565 HydrophobicContact CD1-CE2 3.76Å; I506-F565 HydrophobicContact CD1-CZ 3.96Å; L508-F565 HydrophobicContact CD1-CD1 4.44Å; L508-F565 HydrophobicContact CD1-CD2 4.41Å; L508-F565 HydrophobicContact CD1-CG 4.26Å; L508-F565 HydrophobicContact CD2-CB 3.68Å; L508-F565 HydrophobicContact CD2-CD2 3.5Å; L508-F565 VanDerWaalsContact CD2-CD2 3.5Å; L508-F565 HydrophobicContact CD2-CE2 4.3Å; L508-F565 HydrophobicContact CD2-CG 3.67Å; F510-F565 HydrophobicContact CZ-CB 3.93Å; V524-F565 WeakPolarHBondContact O-CA 3.13Å; F525-F565 HydrophobicContact CB-CD1 3.83Å; F525-F565 HydrophobicContact CB-CE1 3.99Å; C545-F565 VanDerWaalsContact SG-CE1 3.57Å; C559-F565 HydrophobicContact CB-CD1 4.2Å; C559-F565 HydrophobicContact CB-CE1 3.54Å; C559-F565 HydrophobicContact CB-CZ 4.09Å; C559-F565 VanDerWaalsContact SG-CE1 3.56Å; H561-F565 AromaticContact CE1-CE1 3.54Å; H561-F565 AromaticContact ND1-CE1 3.65Å; H561-F565 AromaticContact ND1-CZ 3.62Å; H561-F565 VanDerWaalsContact O-CZ 3.31Å; H561-F565 WeakPolarHBondContact O-CZ 3.45Å; T563-F565 HydrophobicContact CG2-CD1 4.32Å; T563-F565 HydrophobicContact CG2-CE1 3.7Å; T563-F565 HydrophobicContact CG2-CE2 3.97Å; T563-F565 HydrophobicContact CG2-CZ 3.5Å; T563-F565 WeakPolarHBondContact O-CD2 3.32Å; T563-F565 VanDerWaalsContact O-CE2 3.25Å; T563-F565 WeakPolarHBondContact O-CE2 3.46Å
566	A	93.6	Very high	77.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	173.3	170.3	0	0	0	0	0	112	V484 V488 V524 W540	V484-A566 HydrophobicContact CG1-CB 3.74Å; V488-A566 HydrophobicContact CG2-CB 4.35Å; V524-A566 HydrophobicContact CG2-CB 4.45Å; V524-A566 WeakPolarHBondContact CG2-O 3.19Å; V524-A566 PolarHBondContact N-O 3.01Å; V524-A566 PolarHBondContact O-N 3.13Å; V524-A566 VanDerWaalsContact O-O 3.14Å; W540-A566 HydrophobicContact CE3-CB 4.46Å; W540-A566 HydrophobicContact CH2-CB 3.65Å; W540-A566 HydrophobicContact CZ2-CB 4.3Å; W540-A566 HydrophobicContact CZ3-CB 3.74Å
567	V	90.9	Very high	76.3	Confident	2 Å²	2	28 Å²	28	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.8	170.5	-178.5	0	0	0	0	109.4	V484 A485 S486 F510 A521 H522 V555 M569	V484-V567 CarbonylContact C-O 3.55Å; V484-V567 WeakPolarHBondContact CA-O 3.22Å; A485-V567 PolarHBondContact N-O 2.88Å; S486-V567 PolarHBondContact OG-N 2.88Å; F510-V567 HydrophobicContact CB-CG2 4.06Å; F510-V567 HydrophobicContact CD2-CG2 3.46Å; F510-V567 VanDerWaalsContact CD2-CG2 3.46Å; F510-V567 HydrophobicContact CE2-CG2 4.04Å; F510-V567 HydrophobicContact CG-CG2 3.87Å; A521-V567 HydrophobicContact CB-CG1 4.02Å; H522-V567 WeakPolarHBondContact O-CA 3.24Å; V555-V567 HydrophobicContact CB-CG1 4.37Å; V555-V567 HydrophobicContact CB-CG2 4.04Å; V555-V567 HydrophobicContact CG1-CG1 3.98Å; V555-V567 HydrophobicContact CG1-CG2 3.78Å; V555-V567 HydrophobicContact CG2-CG1 4.33Å; V567-M569 HydrophobicContact CG1-CE 3.99Å; V567-M569 HydrophobicContact CG1-CG 4.09Å
568	L	85.8	Confident	75	Confident	9 Å²	9	31.9 Å²	31.9	5%	0.047	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.5	163.6	-71.8	174.3	0	0	0	109.6	P472 R483 V484 H522 V524 W540	P472-L568 HydrophobicContact CG-CD1 4.49Å; P472-L568 HydrophobicContact CG-CD2 4.01Å; R483-L568 WeakPolarHBondContact O-CA 3.37Å; V484-L568 HydrophobicContact CB-CD2 4.47Å; V484-L568 HydrophobicContact CG2-CD2 3.67Å; H522-L568 HydrophobicContact CB-CB 4.43Å; H522-L568 PolarHBondContact N-O 2.96Å; H522-L568 PolarHBondContact O-N 2.97Å; V524-L568 HydrophobicContact CG1-CD1 3.87Å; V524-L568 HydrophobicContact CG1-CG 4.35Å; V524-L568 HydrophobicContact CG2-CD1 4.03Å; V524-L568 HydrophobicContact CG2-CG 3.77Å; W540-L568 HydrophobicContact CB-CD1 4.07Å; W540-L568 HydrophobicContact CG-CD1 4.37Å
569	M	75.1	Confident	74	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.1	166.9	-65.2	-171.8	-176.6	0	0	109.9	R482 R483 A485 S512 L516 A521 V555 V567	R482-M569 CarbonylContact C-O 3.56Å; R482-M569 VanDerWaalsContact CA-O 3.23Å; R482-M569 WeakPolarHBondContact CA-O 3.41Å; R483-M569 PolarHBondContact N-O 3.4Å; R483-M569 PolarHBondContact O-N 3.25Å; A485-M569 HydrophobicContact CB-CB 3.86Å; A485-M569 HydrophobicContact CB-CE 4.21Å; A485-M569 HydrophobicContact CB-CG 3.55Å; A485-M569 HydrophobicContact CB-SD 3.7Å; S512-M569 VanDerWaalsContact OG-CE 3.27Å; S512-M569 WeakPolarHBondContact OG-CE 3.38Å; L516-M569 HydrophobicContact CB-SD 3.96Å; L516-M569 HydrophobicContact CD2-CB 4.05Å; L516-M569 HydrophobicContact CD2-SD 4.11Å; A521-M569 HydrophobicContact CB-CE 4.08Å; A521-M569 HydrophobicContact CB-CG 4.34Å; V555-M569 HydrophobicContact CG2-CE 3.48Å; V555-M569 VanDerWaalsContact CG2-CE 3.48Å; V567-M569 HydrophobicContact CG1-CE 3.99Å; V567-M569 HydrophobicContact CG1-CG 4.09Å
570	D	63	Low	73.1	Confident	27 Å²	27	36.9 Å²	36.9	14%	0.144	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.8	161.2	-157.7	-37.7	0	0	0	108.9	H572	D570-H572 VanDerWaalsContact C-N 3.27Å; D570-H572 PolarHBondContact OD1-N 3.36Å
571	I	55.2	Low	72.3	Confident	64 Å²	64	38.7 Å²	38.7	33%	0.328	22%	0.224	S	C	.	.	S	Bend	trans	-77	-21.6	178.9	-65.8	-174.6	0	0	0	110.7	R481 R483 L516	R481-I571 PolarHBondContact O-N 3.25Å; R481-I571 VanDerWaalsContact O-N 3.17Å; R483-I571 HydrophobicContact CB-CD1 3.88Å; R483-I571 HydrophobicContact CB-CG1 4.42Å; R483-I571 VanDerWaalsContact CD-CD1 3.49Å; R483-I571 HydrophobicContact CG-CD1 3.57Å; R483-I571 HydrophobicContact CG-CG1 4.34Å; L516-I571 HydrophobicContact CD2-CG1 4.04Å
572	H	51.6	Low	71.9	Confident	96 Å²	96	44 Å²	44	44%	0.444	25%	0.253	S	S	.	.	S	Bend	trans	-98.2	102.2	179.8	-61.6	89	0	0	0	110	D570 I574	D570-H572 VanDerWaalsContact C-N 3.27Å; D570-H572 PolarHBondContact OD1-N 3.36Å; H572-I574 PolarHBondContact O-N 2.92Å
573	G	45.3	Very low	71.8	Confident	53 Å²	53	45.2 Å²	45.2	55%	0.546	26%	0.263	S	S	.	.	S	Bend	trans	-61.1	94.3	175.1	0	0	0	0	0	112.3
574	I	47.9	Very low	71.6	Confident	65 Å²	65	46 Å²	46	33%	0.333	27%	0.267	S	S	.	.	S	Bend	trans	77.1	101.7	-179	-66.8	140.5	0	0	0	114	H572 S803	H572-I574 PolarHBondContact O-N 2.92Å; I574-S803 WeakPolarHBondContact CD1-OG 3.25Å
575	E	47.2	Very low	71.3	Confident	62 Å²	62	48 Å²	48	29%	0.29	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-83.1	118.4	169.1	-47.4	-153.4	92.8	0	0	110.3	R481 S577	R481-E575 WeakPolarHBondContact CD-OE1 3.4Å; R481-E575 WeakPolarHBondContact CD-OE2 3.22Å; R481-E575 WeakPolarHBondContact CG-OE1 3.49Å; R481-E575 IonicContact CZ-OE1 2.61Å; R481-E575 IonicContact CZ-OE2 3.81Å; R481-E575 IonicContact NE-OE1 3.57Å; R481-E575 PolarHBondContact NE-OE1 3.18Å; R481-E575 VanDerWaalsContact NE-OE1 3.1Å; R481-E575 IonicContact NE-OE2 3.75Å; R481-E575 IonicContact NH1-OE1 3.02Å; R481-E575 PolarHBondContact NH1-OE1 3.4Å; R481-E575 IonicContact NH1-OE2 3.29Å; R481-E575 PolarHBondContact NH1-OE2 3.17Å; E575-S577 PolarHBondContact O-N 3.36Å
576	F	55.2	Low	71.1	Confident	47 Å²	47	54.6 Å²	54.6	21%	0.206	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-54	130.7	152.6	-66.5	-76.2	0	0	0	108.2	D580 K581 L584 V805 A808	F576-D580 HydrophobicContact CB-CB 3.83Å; F576-D580 HydrophobicContact CD1-CB 4.02Å; F576-D580 HydrophobicContact CG-CB 4.41Å; F576-K581 HydrophobicContact CB-CG 3.6Å; F576-K581 WeakPolarHBondContact O-CE 3.35Å; F576-L584 HydrophobicContact CD1-CD1 3.57Å; F576-L584 HydrophobicContact CE1-CD1 3.65Å; F576-L584 HydrophobicContact CG-CD1 4.07Å; F576-L584 HydrophobicContact CZ-CD1 4.24Å; F576-V805 HydrophobicContact CD1-CG1 4.25Å; F576-V805 HydrophobicContact CD1-CG2 4.16Å; F576-V805 HydrophobicContact CE1-CB 4.31Å; F576-V805 HydrophobicContact CE1-CG1 4.19Å; F576-V805 HydrophobicContact CE1-CG2 4.1Å; F576-A808 HydrophobicContact CE1-CB 3.51Å; F576-A808 HydrophobicContact CZ-CB 3.45Å; F576-A808 VanDerWaalsContact CZ-CB 3.45Å
577	S	61.4	Low	71	Confident	52 Å²	52	56.7 Å²	56.7	36%	0.364	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.4	157	172.9	72.4	0	0	0	0	109.5	E575 S579 D580 K581	E575-S577 PolarHBondContact O-N 3.36Å; S577-S579 PolarHBondContact O-N 3.45Å; S577-S579 VanDerWaalsContact O-N 3.1Å; S577-D580 WeakPolarHBondContact CB-OD2 3.3Å; S577-D580 PolarHBondContact N-OD2 2.93Å; S577-D580 WeakPolarHBondContact O-CA 3.23Å; S577-D580 PolarHBondContact O-N 3.33Å; S577-D580 VanDerWaalsContact OG-CG 3.26Å; S577-D580 PolarHBondContact OG-N 3.33Å; S577-D580 PolarHBondContact OG-OD2 2.96Å; S577-K581 PolarHBondContact O-N 3.46Å
578	S	66.1	Low	70.9	Confident	85 Å²	85	57 Å²	57	59%	0.594	32%	0.321	S	S	*	.	H	α-helix	trans	-56.5	-30.6	177	-55.5	0	0	0	0	111.7	L582	S578-L582 WeakPolarHBondContact O-CB 3.32Å; S578-L582 PolarHBondContact O-N 3.44Å; S578-L582 VanDerWaalsContact O-N 3.11Å
579	S	73.7	Confident	71.2	Confident	90 Å²	90	59.5 Å²	59.5	63%	0.629	33%	0.33	S	S	*	.	H	α-helix	trans	-64.8	-45.2	169.8	-51.4	0	0	0	0	113	S577 L582 A583	S577-S579 PolarHBondContact O-N 3.45Å; S577-S579 VanDerWaalsContact O-N 3.1Å; S579-L582 PolarHBondContact O-N 3.08Å; S579-A583 VanDerWaalsContact O-CB 3.23Å; S579-A583 WeakPolarHBondContact O-CB 3.36Å; S579-A583 PolarHBondContact O-N 2.98Å
580	D	75.8	Confident	72.1	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.193	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-40.5	177.2	-67.7	-62.9	0	0	0	112.3	F576 S577 L582 A583 L584 Y809	F576-D580 HydrophobicContact CB-CB 3.83Å; F576-D580 HydrophobicContact CD1-CB 4.02Å; F576-D580 HydrophobicContact CG-CB 4.41Å; S577-D580 WeakPolarHBondContact CB-OD2 3.3Å; S577-D580 PolarHBondContact N-OD2 2.93Å; S577-D580 WeakPolarHBondContact O-CA 3.23Å; S577-D580 PolarHBondContact O-N 3.33Å; S577-D580 VanDerWaalsContact OG-CG 3.26Å; S577-D580 PolarHBondContact OG-N 3.33Å; S577-D580 PolarHBondContact OG-OD2 2.96Å; D580-L582 VanDerWaalsContact C-N 3.34Å; D580-L582 PolarHBondContact O-N 3.32Å; D580-A583 PolarHBondContact O-N 2.98Å; D580-L584 VanDerWaalsContact O-CB 3.29Å; D580-L584 WeakPolarHBondContact O-CB 3.46Å; D580-L584 WeakPolarHBondContact O-CD1 3.43Å; D580-L584 VanDerWaalsContact O-CG 3.25Å; D580-L584 WeakPolarHBondContact O-CG 3.36Å; D580-L584 PolarHBondContact O-N 3.33Å; D580-Y809 WeakPolarHBondContact CA-OH 3.28Å; D580-Y809 WeakPolarHBondContact OD1-CE2 3.37Å; D580-Y809 PolarHBondContact OD1-OH 2.75Å
581	K	73.9	Confident	73.5	Confident	86 Å²	86	64.2 Å²	64.2	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-45.9	175.4	-67.3	-173.3	-177.6	-177.4	0	110.8	F576 S577 T585	F576-K581 HydrophobicContact CB-CG 3.6Å; F576-K581 WeakPolarHBondContact O-CE 3.35Å; S577-K581 PolarHBondContact O-N 3.46Å; K581-T585 WeakPolarHBondContact O-CB 3.45Å; K581-T585 PolarHBondContact O-N 3.31Å; K581-T585 PolarHBondContact O-OG1 3.27Å
582	L	81.5	Confident	75.3	Confident	128 Å²	128	61.6 Å²	61.6	67%	0.67	34%	0.337	S	S	*	.	H	α-helix	trans	-66.8	-41.4	177.2	-173.9	139.7	0	0	0	111.9	S578 S579 D580 T585 F586	S578-L582 WeakPolarHBondContact O-CB 3.32Å; S578-L582 PolarHBondContact O-N 3.44Å; S578-L582 VanDerWaalsContact O-N 3.11Å; S579-L582 PolarHBondContact O-N 3.08Å; D580-L582 VanDerWaalsContact C-N 3.34Å; D580-L582 PolarHBondContact O-N 3.32Å; L582-T585 PolarHBondContact O-N 3.48Å; L582-F586 WeakPolarHBondContact O-CB 3.2Å; L582-F586 PolarHBondContact O-N 3.07Å
583	A	87	Confident	77.3	Confident	28 Å²	28	60.1 Å²	60.1	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-45.4	177.2	0	0	0	0	0	112.4	S579 D580 T585 F586 I587 Y809	S579-A583 VanDerWaalsContact O-CB 3.23Å; S579-A583 WeakPolarHBondContact O-CB 3.36Å; S579-A583 PolarHBondContact O-N 2.98Å; D580-A583 PolarHBondContact O-N 2.98Å; A583-T585 VanDerWaalsContact C-N 3.34Å; A583-T585 PolarHBondContact O-N 3.26Å; A583-F586 PolarHBondContact O-N 3.14Å; A583-I587 WeakPolarHBondContact O-CB 3.47Å; A583-I587 WeakPolarHBondContact O-CD1 3.31Å; A583-I587 WeakPolarHBondContact O-CG1 3.28Å; A583-I587 PolarHBondContact O-N 2.92Å; A583-Y809 HydrophobicContact CB-CE1 4.08Å; A583-Y809 WeakPolarHBondContact CB-OH 3.39Å
584	L	85.2	Confident	79.6	Confident	21 Å²	21	59.5 Å²	59.5	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-40.8	175.9	-73.4	164.4	0	0	0	111.6	F576 D580 I587 S588 A808 Y809	F576-L584 HydrophobicContact CD1-CD1 3.57Å; F576-L584 HydrophobicContact CE1-CD1 3.65Å; F576-L584 HydrophobicContact CG-CD1 4.07Å; F576-L584 HydrophobicContact CZ-CD1 4.24Å; D580-L584 VanDerWaalsContact O-CB 3.29Å; D580-L584 WeakPolarHBondContact O-CB 3.46Å; D580-L584 WeakPolarHBondContact O-CD1 3.43Å; D580-L584 VanDerWaalsContact O-CG 3.25Å; D580-L584 WeakPolarHBondContact O-CG 3.36Å; D580-L584 PolarHBondContact O-N 3.33Å; L584-I587 PolarHBondContact O-N 3.43Å; L584-S588 WeakPolarHBondContact O-CB 3.28Å; L584-S588 PolarHBondContact O-N 3.03Å; L584-S588 PolarHBondContact O-OG 3.41Å; L584-A808 HydrophobicContact CD1-CB 4.28Å; L584-A808 HydrophobicContact CD2-CB 4.28Å; L584-Y809 HydrophobicContact CD2-CD1 3.7Å; L584-Y809 HydrophobicContact CD2-CD2 4.44Å; L584-Y809 HydrophobicContact CD2-CE1 3.98Å; L584-Y809 HydrophobicContact CD2-CG 3.96Å; L584-Y809 HydrophobicContact CG-CD1 4.31Å; L584-Y809 HydrophobicContact CG-CE1 4.06Å
585	T	86.9	Confident	81.8	Confident	48 Å²	48	56.4 Å²	56.4	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-42.6	175.3	-55.8	0	0	0	0	111.7	K581 L582 A583 S588 Y589 W639	K581-T585 WeakPolarHBondContact O-CB 3.45Å; K581-T585 PolarHBondContact O-N 3.31Å; K581-T585 PolarHBondContact O-OG1 3.27Å; L582-T585 PolarHBondContact O-N 3.48Å; A583-T585 VanDerWaalsContact C-N 3.34Å; A583-T585 PolarHBondContact O-N 3.26Å; T585-S588 PolarHBondContact O-N 3.1Å; T585-S588 PolarHBondContact O-OG 2.67Å; T585-S588 VanDerWaalsContact O-OG 3.11Å; T585-Y589 HydrophobicContact CG2-CD2 3.93Å; T585-Y589 HydrophobicContact CG2-CE2 4.13Å; T585-Y589 WeakPolarHBondContact O-CB 3.42Å; T585-Y589 WeakPolarHBondContact O-CD2 3.37Å; T585-Y589 PolarHBondContact O-N 3.06Å; T585-W639 HydrophobicContact CG2-CZ2 3.99Å
586	F	90.5	Very high	84.1	Confident	141 Å²	141	54.8 Å²	54.8	62%	0.618	30%	0.299	S	S	*	.	H	α-helix	trans	-62.6	-45.4	176.1	-179.2	-94.5	0	0	0	111.7	L582 A583 F590	L582-F586 WeakPolarHBondContact O-CB 3.2Å; L582-F586 PolarHBondContact O-N 3.07Å; A583-F586 PolarHBondContact O-N 3.14Å; F586-F590 WeakPolarHBondContact O-CB 3.44Å; F586-F590 PolarHBondContact O-N 3.44Å
587	I	90.9	Very high	86	Confident	44 Å²	44	57.9 Å²	57.9	23%	0.226	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-43.9	177.9	-67.9	165.3	0	0	0	110.9	A583 L584 G591 Y809 T812 I813	A583-I587 WeakPolarHBondContact O-CB 3.47Å; A583-I587 WeakPolarHBondContact O-CD1 3.31Å; A583-I587 WeakPolarHBondContact O-CG1 3.28Å; A583-I587 PolarHBondContact O-N 2.92Å; L584-I587 PolarHBondContact O-N 3.43Å; I587-G591 PolarHBondContact O-N 2.74Å; I587-Y809 HydrophobicContact CD1-CD1 3.74Å; I587-Y809 HydrophobicContact CD1-CE1 3.8Å; I587-T812 HydrophobicContact CB-CG2 4.4Å; I587-T812 HydrophobicContact CG2-CG2 4.01Å; I587-I813 HydrophobicContact CG2-CG1 3.67Å
588	S	90.5	Very high	87.5	Confident	9 Å²	9	56 Å²	56	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-48.9	179.8	73.2	0	0	0	0	111.6	L584 T585 G591 C592 Y634	L584-S588 WeakPolarHBondContact O-CB 3.28Å; L584-S588 PolarHBondContact O-N 3.03Å; L584-S588 PolarHBondContact O-OG 3.41Å; T585-S588 PolarHBondContact O-N 3.1Å; T585-S588 PolarHBondContact O-OG 2.67Å; T585-S588 VanDerWaalsContact O-OG 3.11Å; S588-G591 PolarHBondContact O-N 3.16Å; S588-C592 VanDerWaalsContact O-CB 3.31Å; S588-C592 WeakPolarHBondContact O-CB 3.5Å; S588-C592 PolarHBondContact O-N 2.83Å; S588-C592 PolarHBondContact O-SG 2.97Å; S588-Y634 WeakPolarHBondContact CB-OH 3.47Å; S588-Y634 PolarHBondContact OG-OH 3.45Å
589	Y	92.3	Very high	88.8	Confident	61 Å²	61	52 Å²	52	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-45.4	178.9	-89.5	-99.2	0	0	0	112.4	T585 C592 V593 M635 W639	T585-Y589 HydrophobicContact CG2-CD2 3.93Å; T585-Y589 HydrophobicContact CG2-CE2 4.13Å; T585-Y589 WeakPolarHBondContact O-CB 3.42Å; T585-Y589 WeakPolarHBondContact O-CD2 3.37Å; T585-Y589 PolarHBondContact O-N 3.06Å; Y589-C592 PolarHBondContact O-N 3.32Å; Y589-V593 WeakPolarHBondContact O-CG2 3.29Å; Y589-V593 PolarHBondContact O-N 3.44Å; Y589-M635 HydrophobicContact CD1-CE 4.48Å; Y589-M635 HydrophobicContact CD1-CG 4.47Å; Y589-M635 HydrophobicContact CE1-CB 4.23Å; Y589-M635 HydrophobicContact CE1-CG 4.39Å; Y589-M635 WeakPolarHBondContact CE1-O 3.28Å; Y589-M635 PolarHBondContact OH-O 2.8Å; Y589-W639 AromaticContact CE2-NE1 3.65Å; Y589-W639 AromaticContact CZ-NE1 3.75Å; Y589-W639 PolarHBondContact OH-NE1 3.41Å; Y589-W639 VanDerWaalsContact OH-NE1 3.16Å
590	F	93.5	Very high	89.8	Confident	130 Å²	130	49.9 Å²	49.9	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-63.2	-45.4	178.1	179.8	-95.9	0	0	0	111.9	F586 V593 V594	F586-F590 WeakPolarHBondContact O-CB 3.44Å; F586-F590 PolarHBondContact O-N 3.44Å; F590-V593 PolarHBondContact O-N 2.91Å; F590-V594 HydrophobicContact CE1-CG2 4.23Å; F590-V594 HydrophobicContact CZ-CG2 4.31Å; F590-V594 PolarHBondContact O-N 3.37Å
591	G	91.9	Very high	90.6	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-48.2	176.5	0	0	0	0	0	112.1	I587 S588 V593 V594 S595 S816	I587-G591 PolarHBondContact O-N 2.74Å; S588-G591 PolarHBondContact O-N 3.16Å; G591-V593 VanDerWaalsContact C-N 3.33Å; G591-V593 PolarHBondContact O-N 2.93Å; G591-V594 PolarHBondContact O-N 3.07Å; G591-V594 VanDerWaalsContact O-N 3.08Å; G591-S595 WeakPolarHBondContact O-CB 3.24Å; G591-S595 PolarHBondContact O-N 3.41Å; G591-S816 CarbonylContact C-O 3.57Å
592	C	92.6	Very high	91.3	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.061	25%	0.25	C	C	.	.	H	α-helix	trans	-58	-39.9	176.3	-73.4	0	0	0	0	112.8	S588 Y589 V594 S595 V596 M635	S588-C592 VanDerWaalsContact O-CB 3.31Å; S588-C592 WeakPolarHBondContact O-CB 3.5Å; S588-C592 PolarHBondContact O-N 2.83Å; S588-C592 PolarHBondContact O-SG 2.97Å; Y589-C592 PolarHBondContact O-N 3.32Å; C592-V594 PolarHBondContact O-N 2.96Å; C592-S595 PolarHBondContact O-N 3.03Å; C592-V596 WeakPolarHBondContact O-CB 3.37Å; C592-V596 VanDerWaalsContact O-CG2 3.27Å; C592-V596 WeakPolarHBondContact O-CG2 3.18Å; C592-V596 PolarHBondContact O-N 3.34Å; C592-M635 HydrophobicContact CB-CG 3.91Å; C592-M635 HydrophobicContact CB-SD 3.75Å
593	V	93.9	Very high	91.8	Very high	65 Å²	65	40.8 Å²	40.8	39%	0.394	22%	0.224	S	C	.	.	H	α-helix	trans	-59.2	-45.6	174.1	169	0	0	0	0	111.5	Y589 F590 G591 I597 M635	Y589-V593 WeakPolarHBondContact O-CG2 3.29Å; Y589-V593 PolarHBondContact O-N 3.44Å; F590-V593 PolarHBondContact O-N 2.91Å; G591-V593 VanDerWaalsContact C-N 3.33Å; G591-V593 PolarHBondContact O-N 2.93Å; V593-I597 HydrophobicContact CG1-CD1 4.17Å; V593-I597 WeakPolarHBondContact O-CD1 3.5Å; V593-I597 WeakPolarHBondContact O-CG1 3.45Å; V593-I597 PolarHBondContact O-N 2.93Å; V593-M635 HydrophobicContact CG2-CE 3.54Å; V593-M635 HydrophobicContact CG2-SD 4.31Å
594	V	94.2	Very high	91.9	Very high	41 Å²	41	41.5 Å²	41.5	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-41.5	177.2	175.9	0	0	0	0	111	F590 G591 C592 I597 C598 L820	F590-V594 HydrophobicContact CE1-CG2 4.23Å; F590-V594 HydrophobicContact CZ-CG2 4.31Å; F590-V594 PolarHBondContact O-N 3.37Å; G591-V594 PolarHBondContact O-N 3.07Å; G591-V594 VanDerWaalsContact O-N 3.08Å; C592-V594 PolarHBondContact O-N 2.96Å; V594-I597 PolarHBondContact O-N 2.93Å; V594-C598 WeakPolarHBondContact O-CB 3.36Å; V594-C598 PolarHBondContact O-N 2.97Å; V594-C598 VanDerWaalsContact O-N 3.09Å; V594-C598 PolarHBondContact O-SG 3.48Å; V594-L820 HydrophobicContact CG1-CB 4.46Å; V594-L820 HydrophobicContact CG1-CD1 4.42Å; V594-L820 HydrophobicContact CG1-CD2 4.29Å
595	S	93.7	Very high	92	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-49.1	179.1	-164.7	0	0	0	0	112	G591 C592 I597 C598 L599 E631 S816 G819	G591-S595 WeakPolarHBondContact O-CB 3.24Å; G591-S595 PolarHBondContact O-N 3.41Å; C592-S595 PolarHBondContact O-N 3.03Å; S595-I597 VanDerWaalsContact C-N 3.33Å; S595-I597 PolarHBondContact O-N 3.48Å; S595-C598 CarbonylContact O-C 3.6Å; S595-C598 WeakPolarHBondContact O-CA 3.43Å; S595-C598 WeakPolarHBondContact O-CB 3.4Å; S595-C598 PolarHBondContact O-N 3.32Å; S595-L599 WeakPolarHBondContact O-CB 3.43Å; S595-L599 WeakPolarHBondContact O-CG 3.23Å; S595-L599 PolarHBondContact O-N 2.81Å; S595-E631 WeakPolarHBondContact CB-OE1 3.41Å; S595-E631 WeakPolarHBondContact CB-OE2 3.23Å; S595-E631 VanDerWaalsContact OG-CD 3.24Å; S595-E631 PolarHBondContact OG-OE1 3.3Å; S595-E631 PolarHBondContact OG-OE2 3.48Å; S595-E631 VanDerWaalsContact OG-OE2 3.14Å; S595-S816 WeakPolarHBondContact CB-O 3.48Å; S595-G819 WeakPolarHBondContact OG-CA 3.34Å; S595-G819 PolarHBondContact OG-N 3.48Å
596	V	94.5	Very high	91.9	Very high	28 Å²	28	38.6 Å²	38.6	17%	0.17	21%	0.212	C	C	.	.	H	α-helix	trans	-53.8	-46.5	175.8	163.7	0	0	0	0	111.6	C592 L599 A600 L628 E631 L632 M635	C592-V596 WeakPolarHBondContact O-CB 3.37Å; C592-V596 VanDerWaalsContact O-CG2 3.27Å; C592-V596 WeakPolarHBondContact O-CG2 3.18Å; C592-V596 PolarHBondContact O-N 3.34Å; V596-L599 PolarHBondContact O-N 2.98Å; V596-A600 VanDerWaalsContact O-CB 3.28Å; V596-A600 WeakPolarHBondContact O-CB 3.43Å; V596-A600 PolarHBondContact O-N 3.21Å; V596-L628 HydrophobicContact CB-CD1 4.26Å; V596-L628 HydrophobicContact CG1-CD1 3.86Å; V596-L628 HydrophobicContact CG2-CD1 4.2Å; V596-E631 HydrophobicContact CG2-CB 3.91Å; V596-E631 WeakPolarHBondContact CG2-OE2 3.39Å; V596-E631 PolarHBondContact N-OE2 3.49Å; V596-L632 HydrophobicContact CG1-CD2 4.21Å; V596-L632 HydrophobicContact CG2-CD2 4.28Å; V596-L632 HydrophobicContact CG2-CG 4.45Å; V596-M635 HydrophobicContact CG2-SD 4.39Å
597	I	95	Very high	91.6	Very high	111 Å²	111	34.8 Å²	34.8	57%	0.569	20%	0.203	S	C	*	.	H	α-helix	trans	-62.7	-44.5	177.6	-66	166.1	0	0	0	110.7	V593 V594 S595 A601	V593-I597 HydrophobicContact CG1-CD1 4.17Å; V593-I597 WeakPolarHBondContact O-CD1 3.5Å; V593-I597 WeakPolarHBondContact O-CG1 3.45Å; V593-I597 PolarHBondContact O-N 2.93Å; V594-I597 PolarHBondContact O-N 2.93Å; S595-I597 VanDerWaalsContact C-N 3.33Å; S595-I597 PolarHBondContact O-N 3.48Å; I597-A601 WeakPolarHBondContact O-CB 3.49Å; I597-A601 PolarHBondContact O-N 3.4Å
598	C	94.6	Very high	91.2	Very high	13 Å²	13	37.4 Å²	37.4	9%	0.088	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-40.6	179.5	-69.8	0	0	0	0	113	V594 S595 A601 T602 L820 F823	V594-C598 WeakPolarHBondContact O-CB 3.36Å; V594-C598 PolarHBondContact O-N 2.97Å; V594-C598 VanDerWaalsContact O-N 3.09Å; V594-C598 PolarHBondContact O-SG 3.48Å; S595-C598 CarbonylContact O-C 3.6Å; S595-C598 WeakPolarHBondContact O-CA 3.43Å; S595-C598 WeakPolarHBondContact O-CB 3.4Å; S595-C598 PolarHBondContact O-N 3.32Å; C598-A601 PolarHBondContact O-N 3.26Å; C598-T602 WeakPolarHBondContact O-CB 3.26Å; C598-T602 PolarHBondContact O-N 3.41Å; C598-T602 PolarHBondContact O-OG1 3.03Å; C598-L820 VanDerWaalsContact SG-CD1 3.6Å; C598-F823 HydrophobicContact CB-CB 3.72Å; C598-F823 HydrophobicContact CB-CG 4.17Å
599	L	93.4	Very high	90.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-44	176.2	-70.5	173	0	0	0	111.2	S595 V596 A601 T602 L603 C624 L627 L628 E631 I822	S595-L599 WeakPolarHBondContact O-CB 3.43Å; S595-L599 WeakPolarHBondContact O-CG 3.23Å; S595-L599 PolarHBondContact O-N 2.81Å; V596-L599 PolarHBondContact O-N 2.98Å; L599-A601 PolarHBondContact O-N 2.96Å; L599-T602 WeakPolarHBondContact O-CB 3.2Å; L599-T602 PolarHBondContact O-N 3.47Å; L599-L603 WeakPolarHBondContact O-CB 3.39Å; L599-L603 WeakPolarHBondContact O-CG 3.38Å; L599-L603 PolarHBondContact O-N 2.75Å; L599-C624 HydrophobicContact CD2-CB 4.05Å; L599-L627 HydrophobicContact CD1-CB 3.81Å; L599-L628 HydrophobicContact CB-CB 4.32Å; L599-L628 HydrophobicContact CB-CD1 4.48Å; L599-L628 HydrophobicContact CD1-CB 4.33Å; L599-E631 WeakPolarHBondContact CD1-OE2 3.03Å; L599-I822 HydrophobicContact CD2-CD1 4.33Å; L599-I822 HydrophobicContact CD2-CG2 4.48Å
600	A	93.9	Very high	89.6	Confident	46 Å²	46	43 Å²	43	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-44.7	174.5	0	0	0	0	0	111.8	V596 T602 L603 A604	V596-A600 VanDerWaalsContact O-CB 3.28Å; V596-A600 WeakPolarHBondContact O-CB 3.43Å; V596-A600 PolarHBondContact O-N 3.21Å; A600-T602 VanDerWaalsContact C-N 3.34Å; A600-T602 PolarHBondContact O-N 2.95Å; A600-L603 PolarHBondContact O-N 2.87Å; A600-A604 VanDerWaalsContact O-CB 3.3Å; A600-A604 WeakPolarHBondContact O-CB 3.46Å; A600-A604 PolarHBondContact O-N 2.95Å
601	A	91.7	Very high	88.4	Confident	35 Å²	35	43 Å²	43	29%	0.289	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-36.9	175.3	0	0	0	0	0	112.9	I597 C598 L599 T605 F823	I597-A601 WeakPolarHBondContact O-CB 3.49Å; I597-A601 PolarHBondContact O-N 3.4Å; C598-A601 PolarHBondContact O-N 3.26Å; L599-A601 PolarHBondContact O-N 2.96Å; A601-T605 WeakPolarHBondContact O-CB 3.36Å; A601-T605 PolarHBondContact O-N 3.23Å; A601-T605 PolarHBondContact O-OG1 2.9Å; A601-F823 HydrophobicContact CB-CD2 4.14Å; A601-F823 HydrophobicContact CB-CE2 3.78Å
602	T	90.4	Very high	87.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-48.7	175.2	-57.2	0	0	0	0	111.4	C598 L599 A600 A604 T605 F606 I822 F823 V827	C598-T602 WeakPolarHBondContact O-CB 3.26Å; C598-T602 PolarHBondContact O-N 3.41Å; C598-T602 PolarHBondContact O-OG1 3.03Å; L599-T602 WeakPolarHBondContact O-CB 3.2Å; L599-T602 PolarHBondContact O-N 3.47Å; A600-T602 VanDerWaalsContact C-N 3.34Å; A600-T602 PolarHBondContact O-N 2.95Å; T602-A604 PolarHBondContact O-N 2.98Å; T602-T605 WeakPolarHBondContact O-CB 3.34Å; T602-T605 PolarHBondContact O-N 3.48Å; T602-F606 HydrophobicContact CG2-CD2 3.88Å; T602-F606 HydrophobicContact CG2-CE2 3.47Å; T602-F606 VanDerWaalsContact CG2-CE2 3.47Å; T602-F606 HydrophobicContact CG2-CZ 4.16Å; T602-F606 WeakPolarHBondContact O-CD2 3.18Å; T602-F606 PolarHBondContact O-N 2.87Å; T602-I822 HydrophobicContact CG2-CG2 4.32Å; T602-F823 WeakPolarHBondContact OG1-CD2 3.01Å; T602-V827 HydrophobicContact CG2-CG2 4.2Å
603	L	91.6	Very high	85.9	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-41.1	177.1	-74.9	169.5	0	0	0	112.4	L599 A600 S607 K621 C624 L625 L628	L599-L603 WeakPolarHBondContact O-CB 3.39Å; L599-L603 WeakPolarHBondContact O-CG 3.38Å; L599-L603 PolarHBondContact O-N 2.75Å; A600-L603 PolarHBondContact O-N 2.87Å; L603-S607 VanDerWaalsContact O-CB 3.27Å; L603-S607 WeakPolarHBondContact O-CB 3.38Å; L603-S607 PolarHBondContact O-N 2.95Å; L603-S607 VanDerWaalsContact O-N 3.13Å; L603-S607 PolarHBondContact O-OG 3.34Å; L603-K621 HydrophobicContact CD2-CB 4.4Å; L603-K621 VanDerWaalsContact CD2-O 3.28Å; L603-K621 WeakPolarHBondContact CD2-O 3.49Å; L603-C624 HydrophobicContact CD1-CB 4.31Å; L603-C624 HydrophobicContact CD2-CB 3.72Å; L603-C624 HydrophobicContact CG-CB 3.8Å; L603-L625 HydrophobicContact CD2-CB 4.36Å; L603-L628 HydrophobicContact CD1-CB 4.4Å; L603-L628 HydrophobicContact CD1-CD2 3.61Å
604	A	89.6	Confident	84.9	Confident	43 Å²	43	48.8 Å²	48.8	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-50.2	173.6	0	0	0	0	0	110.8	A600 T602 F606 S607 L608	A600-A604 VanDerWaalsContact O-CB 3.3Å; A600-A604 WeakPolarHBondContact O-CB 3.46Å; A600-A604 PolarHBondContact O-N 2.95Å; T602-A604 PolarHBondContact O-N 2.98Å; A604-F606 PolarHBondContact O-N 3.4Å; A604-S607 PolarHBondContact O-N 3.15Å; A604-L608 VanDerWaalsContact O-CG 3.31Å; A604-L608 WeakPolarHBondContact O-CG 3.34Å; A604-L608 PolarHBondContact O-N 3.08Å
605	T	87	Confident	84	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-52	-52	177.2	-63	0	0	0	0	111.8	A601 T602 S607 F609 L612 V827 V833 W837	A601-T605 WeakPolarHBondContact O-CB 3.36Å; A601-T605 PolarHBondContact O-N 3.23Å; A601-T605 PolarHBondContact O-OG1 2.9Å; T602-T605 WeakPolarHBondContact O-CB 3.34Å; T602-T605 PolarHBondContact O-N 3.48Å; T605-S607 PolarHBondContact O-N 3.09Å; T605-F609 HydrophobicContact CG2-CD2 4.06Å; T605-F609 HydrophobicContact CG2-CE2 4.32Å; T605-F609 VanDerWaalsContact O-CD2 3.28Å; T605-F609 WeakPolarHBondContact O-CD2 3.5Å; T605-F609 PolarHBondContact O-N 3.09Å; T605-L612 HydrophobicContact CG2-CD1 4.38Å; T605-V827 HydrophobicContact CG2-CG1 4.39Å; T605-V827 HydrophobicContact CG2-CG2 4.35Å; T605-V833 HydrophobicContact CG2-CG1 3.47Å; T605-V833 VanDerWaalsContact CG2-CG1 3.47Å; T605-W837 WeakPolarHBondContact OG1-CZ2 3.22Å; T605-W837 PolarHBondContact OG1-NE1 3.16Å; T605-W837 VanDerWaalsContact OG1-NE1 3.11Å
606	F	85	Confident	83.3	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-74.3	-5.7	179.5	-60.9	-36.5	0	0	0	114.9	T602 A604 L612 H620 K621 Q826	T602-F606 HydrophobicContact CG2-CD2 3.88Å; T602-F606 HydrophobicContact CG2-CE2 3.47Å; T602-F606 VanDerWaalsContact CG2-CE2 3.47Å; T602-F606 HydrophobicContact CG2-CZ 4.16Å; T602-F606 WeakPolarHBondContact O-CD2 3.18Å; T602-F606 PolarHBondContact O-N 2.87Å; A604-F606 PolarHBondContact O-N 3.4Å; F606-L612 HydrophobicContact CD1-CD1 3.99Å; F606-L612 HydrophobicContact CE1-CD1 4.47Å; F606-H620 HydrophobicContact CE2-CB 4.09Å; F606-K621 HydrophobicContact CB-CD 3.64Å; F606-K621 HydrophobicContact CB-CG 3.58Å; F606-K621 HydrophobicContact CD2-CG 3.81Å; F606-K621 HydrophobicContact CG-CG 4.13Å; F606-K621 PolarHBondContact O-NZ 3.42Å; F606-Q826 HydrophobicContact CZ-CB 4.01Å; F606-Q826 VanDerWaalsContact CZ-OE1 3.27Å
607	S	83.3	Confident	82.6	Confident	62 Å²	62	50.8 Å²	50.8	43%	0.434	28%	0.275	S	S	.	.	H	α-helix	trans	-100.1	-36.7	176.4	-59.2	0	0	0	0	112.1	L603 A604 T605 K621	L603-S607 VanDerWaalsContact O-CB 3.27Å; L603-S607 WeakPolarHBondContact O-CB 3.38Å; L603-S607 PolarHBondContact O-N 2.95Å; L603-S607 VanDerWaalsContact O-N 3.13Å; L603-S607 PolarHBondContact O-OG 3.34Å; A604-S607 PolarHBondContact O-N 3.15Å; T605-S607 PolarHBondContact O-N 3.09Å; S607-K621 VanDerWaalsContact OG-CE 3.28Å; S607-K621 WeakPolarHBondContact OG-CE 3.18Å; S607-K621 PolarHBondContact OG-NZ 3.23Å
608	L	82.3	Confident	82.2	Confident	98 Å²	98	47 Å²	47	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-69.2	-43	176.5	-66.9	170.1	0	0	0	112	A604 K610 W837	A604-L608 VanDerWaalsContact O-CG 3.31Å; A604-L608 WeakPolarHBondContact O-CG 3.34Å; A604-L608 PolarHBondContact O-N 3.08Å; L608-K610 PolarHBondContact O-N 3.23Å; L608-W837 HydrophobicContact CD1-CH2 4.36Å
609	F	77.8	Confident	81.9	Confident	18 Å²	18	46.5 Å²	46.5	8%	0.079	25%	0.253	C	S	.	.			trans	-93.8	91	-173.9	-63.3	-59.9	0	0	0	112.7	T605 F611 L612 W837 W840	T605-F609 HydrophobicContact CG2-CD2 4.06Å; T605-F609 HydrophobicContact CG2-CE2 4.32Å; T605-F609 VanDerWaalsContact O-CD2 3.28Å; T605-F609 WeakPolarHBondContact O-CD2 3.5Å; T605-F609 PolarHBondContact O-N 3.09Å; F609-F611 HydrophobicContact CB-CD1 4Å; F609-F611 HydrophobicContact CB-CE1 3.67Å; F609-F611 HydrophobicContact CB-CZ 4.21Å; F609-F611 HydrophobicContact CD1-CD1 4.31Å; F609-F611 AromaticContact CD1-CE1 3.56Å; F609-F611 HydrophobicContact CD1-CE1 3.56Å; F609-F611 HydrophobicContact CD1-CZ 4.36Å; F609-F611 HydrophobicContact CE1-CE1 4.45Å; F609-F611 AromaticContact CG-CE1 3.8Å; F609-F611 HydrophobicContact CG-CE1 3.8Å; F609-F611 HydrophobicContact CG-CZ 4.31Å; F609-F611 PolarHBondContact O-N 2.98Å; F609-L612 HydrophobicContact CB-CB 4.45Å; F609-L612 HydrophobicContact CB-CD1 3.67Å; F609-L612 HydrophobicContact CB-CG 3.82Å; F609-L612 HydrophobicContact CD2-CD1 4.15Å; F609-L612 HydrophobicContact CG-CD1 4.31Å; F609-L612 WeakPolarHBondContact O-CB 3.35Å; F609-L612 PolarHBondContact O-N 3.4Å; F609-W837 AromaticContact CE2-CD1 3.92Å; F609-W837 AromaticContact CE2-CD2 3.96Å; F609-W837 HydrophobicContact CE2-CD2 3.96Å; F609-W837 AromaticContact CE2-CE2 3.88Å; F609-W837 HydrophobicContact CE2-CG 4.02Å; F609-W837 HydrophobicContact CE2-CZ2 4.48Å; F609-W837 AromaticContact CE2-NE1 3.85Å; F609-W837 HydrophobicContact CZ-CD2 4.17Å; F609-W837 HydrophobicContact CZ-CE3 4.48Å; F609-W837 HydrophobicContact CZ-CG 4.26Å; F609-W840 HydrophobicContact CE1-CB 3.91Å; F609-W840 HydrophobicContact CE1-CG 4.36Å; F609-W840 HydrophobicContact CZ-CB 3.84Å; F609-W840 HydrophobicContact CZ-CG 4.26Å
610	K	71	Confident	81.5	Confident	169 Å²	169	47.3 Å²	47.3	74%	0.735	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-53.3	-35	176.2	-72.4	-172.2	178.1	-177.9	0	113.9	L608 L612 Q613	L608-K610 PolarHBondContact O-N 3.23Å; K610-L612 PolarHBondContact O-N 3.05Å; K610-L612 VanDerWaalsContact O-N 3.15Å; K610-Q613 VanDerWaalsContact O-CB 3.29Å; K610-Q613 WeakPolarHBondContact O-CB 3.41Å; K610-Q613 WeakPolarHBondContact O-CG 3.37Å; K610-Q613 PolarHBondContact O-N 3.44Å
611	F	69.8	Low	81.3	Confident	130 Å²	130	47.3 Å²	47.3	57%	0.57	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-65.3	-15.5	179.2	76	-97.1	0	0	0	114	F609	F609-F611 HydrophobicContact CB-CD1 4Å; F609-F611 HydrophobicContact CB-CE1 3.67Å; F609-F611 HydrophobicContact CB-CZ 4.21Å; F609-F611 HydrophobicContact CD1-CD1 4.31Å; F609-F611 AromaticContact CD1-CE1 3.56Å; F609-F611 HydrophobicContact CD1-CE1 3.56Å; F609-F611 HydrophobicContact CD1-CZ 4.36Å; F609-F611 HydrophobicContact CE1-CE1 4.45Å; F609-F611 AromaticContact CG-CE1 3.8Å; F609-F611 HydrophobicContact CG-CE1 3.8Å; F609-F611 HydrophobicContact CG-CZ 4.31Å; F609-F611 PolarHBondContact O-N 2.98Å
612	L	65.4	Low	81.4	Confident	20 Å²	20	46.3 Å²	46.3	11%	0.105	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-81.9	-12.9	174.3	-63.6	177.7	0	0	0	112.8	T605 F606 F609 K610 C614 T617 V833	T605-L612 HydrophobicContact CG2-CD1 4.38Å; F606-L612 HydrophobicContact CD1-CD1 3.99Å; F606-L612 HydrophobicContact CE1-CD1 4.47Å; F609-L612 HydrophobicContact CB-CB 4.45Å; F609-L612 HydrophobicContact CB-CD1 3.67Å; F609-L612 HydrophobicContact CB-CG 3.82Å; F609-L612 HydrophobicContact CD2-CD1 4.15Å; F609-L612 HydrophobicContact CG-CD1 4.31Å; F609-L612 WeakPolarHBondContact O-CB 3.35Å; F609-L612 PolarHBondContact O-N 3.4Å; K610-L612 PolarHBondContact O-N 3.05Å; K610-L612 VanDerWaalsContact O-N 3.15Å; L612-C614 VanDerWaalsContact C-N 3.29Å; L612-C614 PolarHBondContact O-N 3.49Å; L612-T617 WeakPolarHBondContact O-CG2 3.49Å; L612-T617 PolarHBondContact O-OG1 3.05Å; L612-V833 HydrophobicContact CD1-CG2 3.8Å; L612-V833 HydrophobicContact CD2-CG2 3.92Å
613	Q	66.7	Low	81.4	Confident	104 Å²	104	46.7 Å²	46.7	49%	0.486	24%	0.24	S	C	.	.			trans	-71.2	76	-168.8	-65.2	-177.9	0.3	0	0	113.7	K610 T617	K610-Q613 VanDerWaalsContact O-CB 3.29Å; K610-Q613 WeakPolarHBondContact O-CB 3.41Å; K610-Q613 WeakPolarHBondContact O-CG 3.37Å; K610-Q613 PolarHBondContact O-N 3.44Å; Q613-T617 WeakPolarHBondContact CA-OG1 3.36Å
614	C	71.9	Confident	81.4	Confident	75 Å²	75	45.5 Å²	45.5	51%	0.507	23%	0.234	S	C	.	.			trans	-101.1	159.2	168.2	179.3	0	0	0	0	109.9	L612 R616 T617 T618	L612-C614 VanDerWaalsContact C-N 3.29Å; L612-C614 PolarHBondContact O-N 3.49Å; C614-R616 PolarHBondContact O-N 3.13Å; C614-T617 PolarHBondContact N-OG1 3.23Å; C614-T617 WeakPolarHBondContact O-CA 3.4Å; C614-T617 PolarHBondContact O-N 3.44Å; C614-T617 PolarHBondContact O-OG1 3.36Å; C614-T618 PolarHBondContact O-N 3.42Å
615	E	75.7	Confident	81.7	Confident	43 Å²	43	47.1 Å²	47.1	20%	0.201	24%	0.236	C	C	.	.	H	α-helix	trans	-53.6	-37.8	176.9	-63.7	-178.5	111.6	0	0	113	T617 T618 I619 R686 R687	E615-T617 VanDerWaalsContact C-N 3.32Å; E615-T617 PolarHBondContact O-N 2.9Å; E615-T618 WeakPolarHBondContact O-CB 3.44Å; E615-T618 PolarHBondContact O-N 3.3Å; E615-T618 VanDerWaalsContact O-N 3.11Å; E615-I619 PolarHBondContact O-N 3.39Å; E615-R686 IonicContact OE1-NE 3.79Å; E615-R686 PolarHBondContact OE1-NE 3.03Å; E615-R686 IonicContact OE2-CZ 3.02Å; E615-R686 IonicContact OE2-NE 3.32Å; E615-R686 PolarHBondContact OE2-NE 3.45Å; E615-R686 IonicContact OE2-NH2 2.94Å; E615-R686 PolarHBondContact OE2-NH2 3.47Å; E615-R687 HydrophobicContact CG-CG 4.22Å
616	R	78	Confident	82.1	Confident	50 Å²	50	47.1 Å²	47.1	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-44.7	170.8	175.5	179.1	-67	165.9	0.5	112.3	C614 T618 I619 H620	C614-R616 PolarHBondContact O-N 3.13Å; R616-T618 VanDerWaalsContact C-N 3.33Å; R616-I619 WeakPolarHBondContact O-CB 3.39Å; R616-I619 PolarHBondContact O-N 3.33Å; R616-H620 VanDerWaalsContact CG-NE2 3.31Å; R616-H620 WeakPolarHBondContact CG-NE2 3.32Å; R616-H620 PolarHBondContact O-CD2 2.72Å; R616-H620 PolarHBondContact O-N 3.02Å
617	T	81	Confident	82.4	Confident	18 Å²	18	47.2 Å²	47.2	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-29.5	177.6	65.2	0	0	0	0	112.1	L612 Q613 C614 E615 I619 H620 K621	L612-T617 WeakPolarHBondContact O-CG2 3.49Å; L612-T617 PolarHBondContact O-OG1 3.05Å; Q613-T617 WeakPolarHBondContact CA-OG1 3.36Å; C614-T617 PolarHBondContact N-OG1 3.23Å; C614-T617 WeakPolarHBondContact O-CA 3.4Å; C614-T617 PolarHBondContact O-N 3.44Å; C614-T617 PolarHBondContact O-OG1 3.36Å; E615-T617 VanDerWaalsContact C-N 3.32Å; E615-T617 PolarHBondContact O-N 2.9Å; T617-I619 VanDerWaalsContact C-N 3.34Å; T617-H620 PolarHBondContact O-N 3.02Å; T617-K621 VanDerWaalsContact O-CB 3.29Å; T617-K621 WeakPolarHBondContact O-CB 3.19Å; T617-K621 WeakPolarHBondContact O-CG 3.1Å; T617-K621 PolarHBondContact O-N 3.29Å
618	T	86	Confident	83	Confident	31 Å²	31	45.5 Å²	45.5	19%	0.19	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-45.4	169.7	-55.3	0	0	0	0	110.6	C614 E615 R616 K621 N622 Y691	C614-T618 PolarHBondContact O-N 3.42Å; E615-T618 WeakPolarHBondContact O-CB 3.44Å; E615-T618 PolarHBondContact O-N 3.3Å; E615-T618 VanDerWaalsContact O-N 3.11Å; R616-T618 VanDerWaalsContact C-N 3.33Å; T618-K621 PolarHBondContact O-N 2.87Å; T618-N622 PolarHBondContact O-N 3.42Å; T618-N622 VanDerWaalsContact O-N 3.09Å; T618-N622 PolarHBondContact O-ND2 3.29Å; T618-Y691 HydrophobicContact CG2-CE2 3.96Å; T618-Y691 WeakPolarHBondContact CG2-OH 3.29Å
619	I	87.5	Confident	83.7	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-54.5	174.8	-68.3	162.4	0	0	0	110.7	E615 R616 T617 K621 N622 L623 W664 L667 E668 Q671 F690	E615-I619 PolarHBondContact O-N 3.39Å; R616-I619 WeakPolarHBondContact O-CB 3.39Å; R616-I619 PolarHBondContact O-N 3.33Å; T617-I619 VanDerWaalsContact C-N 3.34Å; I619-K621 VanDerWaalsContact C-N 3.29Å; I619-K621 PolarHBondContact O-N 3.45Å; I619-N622 PolarHBondContact O-N 3.2Å; I619-L623 PolarHBondContact O-N 3.33Å; I619-W664 HydrophobicContact CB-CE3 4.35Å; I619-W664 HydrophobicContact CG1-CE3 4.2Å; I619-W664 HydrophobicContact CG1-CZ3 4.09Å; I619-W664 HydrophobicContact CG2-CE3 4.25Å; I619-W664 VanDerWaalsContact CG2-O 3.28Å; I619-W664 WeakPolarHBondContact CG2-O 3.44Å; I619-L667 HydrophobicContact CD1-CB 4.48Å; I619-E668 HydrophobicContact CG2-CB 3.81Å; I619-E668 HydrophobicContact CG2-CG 4.41Å; I619-Q671 HydrophobicContact CD1-CB 3.61Å; I619-Q671 HydrophobicContact CD1-CG 3.8Å; I619-F690 HydrophobicContact CD1-CD2 4.08Å; I619-F690 HydrophobicContact CD1-CE2 3.87Å; I619-F690 HydrophobicContact CG1-CD2 4.25Å
620	H	85.5	Confident	84.5	Confident	17 Å²	17	42 Å²	42	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-35.2	179.7	-60	-44	0	0	0	113.1	F606 R616 T617 L623 C624 E668 Q826	F606-H620 HydrophobicContact CE2-CB 4.09Å; R616-H620 VanDerWaalsContact CG-NE2 3.31Å; R616-H620 WeakPolarHBondContact CG-NE2 3.32Å; R616-H620 PolarHBondContact O-CD2 2.72Å; R616-H620 PolarHBondContact O-N 3.02Å; T617-H620 PolarHBondContact O-N 3.02Å; H620-L623 PolarHBondContact O-N 3.03Å; H620-C624 WeakPolarHBondContact O-CB 3.41Å; H620-C624 PolarHBondContact O-N 3.49Å; H620-C624 PolarHBondContact O-SG 3.48Å; H620-E668 IonicContact CE1-OE1 3.78Å; H620-E668 PolarHBondContact CE1-OE1 3Å; H620-E668 VanDerWaalsContact CE1-OE1 3.28Å; H620-E668 IonicContact CE1-OE2 4Å; H620-E668 PolarHBondContact CE1-OE2 3.41Å; H620-E668 VanDerWaalsContact ND1-CD 3.35Å; H620-E668 IonicContact ND1-OE1 3.61Å; H620-E668 IonicContact ND1-OE2 3.08Å; H620-E668 PolarHBondContact ND1-OE2 3.32Å; H620-Q826 PolarHBondContact CD2-OE1 2.77Å; H620-Q826 PolarHBondContact ND1-NE2 3.15Å
621	K	90.6	Very high	85.5	Confident	47 Å²	47	34.6 Å²	34.6	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-44.5	176.1	-76.9	179.9	88.6	164.5	0	111.9	L603 F606 S607 T617 T618 I619 C624 L625	L603-K621 HydrophobicContact CD2-CB 4.4Å; L603-K621 VanDerWaalsContact CD2-O 3.28Å; L603-K621 WeakPolarHBondContact CD2-O 3.49Å; F606-K621 HydrophobicContact CB-CD 3.64Å; F606-K621 HydrophobicContact CB-CG 3.58Å; F606-K621 HydrophobicContact CD2-CG 3.81Å; F606-K621 HydrophobicContact CG-CG 4.13Å; F606-K621 PolarHBondContact O-NZ 3.42Å; S607-K621 VanDerWaalsContact OG-CE 3.28Å; S607-K621 WeakPolarHBondContact OG-CE 3.18Å; S607-K621 PolarHBondContact OG-NZ 3.23Å; T617-K621 VanDerWaalsContact O-CB 3.29Å; T617-K621 WeakPolarHBondContact O-CB 3.19Å; T617-K621 WeakPolarHBondContact O-CG 3.1Å; T617-K621 PolarHBondContact O-N 3.29Å; T618-K621 PolarHBondContact O-N 2.87Å; I619-K621 VanDerWaalsContact C-N 3.29Å; I619-K621 PolarHBondContact O-N 3.45Å; K621-C624 PolarHBondContact O-N 2.93Å; K621-L625 VanDerWaalsContact O-CB 3.3Å; K621-L625 WeakPolarHBondContact O-CB 3.43Å; K621-L625 PolarHBondContact O-N 3.05Å
622	N	92.8	Very high	86.7	Confident	13 Å²	13	31.4 Å²	31.4	7%	0.07	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-40	176.6	-67.9	-73.5	0	0	0	111	T618 I619 C624 L625 C626 W664 Y691 Y695	T618-N622 PolarHBondContact O-N 3.42Å; T618-N622 VanDerWaalsContact O-N 3.09Å; T618-N622 PolarHBondContact O-ND2 3.29Å; I619-N622 PolarHBondContact O-N 3.2Å; N622-C624 PolarHBondContact O-N 3.14Å; N622-L625 PolarHBondContact O-N 3.15Å; N622-C626 PolarHBondContact O-N 3.46Å; N622-C626 PolarHBondContact O-SG 2.99Å; N622-C626 VanDerWaalsContact O-SG 3.33Å; N622-W664 HydrophobicContact CB-CD2 3.52Å; N622-W664 HydrophobicContact CB-CE3 3.97Å; N622-W664 HydrophobicContact CB-CG 3.97Å; N622-W664 HydrophobicContact CB-CH2 4.13Å; N622-W664 HydrophobicContact CB-CZ2 3.72Å; N622-W664 HydrophobicContact CB-CZ3 4.24Å; N622-Y691 PolarHBondContact ND2-OH 3.28Å; N622-Y691 WeakPolarHBondContact OD1-CE1 3.35Å; N622-Y695 PolarHBondContact OD1-OH 2.97Å; N622-Y695 VanDerWaalsContact OD1-OH 3.12Å
623	L	90.6	Very high	88.2	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-50.8	172.7	179.4	65.1	0	0	0	112	I619 H620 L625 C626 L627 A661 W664 M665	I619-L623 PolarHBondContact O-N 3.33Å; H620-L623 PolarHBondContact O-N 3.03Å; L623-L625 VanDerWaalsContact C-N 3.3Å; L623-L625 PolarHBondContact O-N 3.32Å; L623-C626 PolarHBondContact O-N 3.23Å; L623-L627 HydrophobicContact CD1-CD1 4.3Å; L623-L627 HydrophobicContact CG-CD1 4.26Å; L623-L627 WeakPolarHBondContact O-CG 3.27Å; L623-L627 PolarHBondContact O-N 3.17Å; L623-L627 VanDerWaalsContact O-N 3.08Å; L623-A661 HydrophobicContact CD1-CB 4.07Å; L623-A661 WeakPolarHBondContact CD1-O 3.41Å; L623-W664 HydrophobicContact CB-CB 4.2Å; L623-W664 HydrophobicContact CD1-CB 4.39Å; L623-M665 HydrophobicContact CD1-CB 4.22Å
624	C	92.7	Very high	89.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-34.7	178	-65	0	0	0	0	112.4	L599 L603 H620 K621 N622 L628	L599-C624 HydrophobicContact CD2-CB 4.05Å; L603-C624 HydrophobicContact CD1-CB 4.31Å; L603-C624 HydrophobicContact CD2-CB 3.72Å; L603-C624 HydrophobicContact CG-CB 3.8Å; H620-C624 WeakPolarHBondContact O-CB 3.41Å; H620-C624 PolarHBondContact O-N 3.49Å; H620-C624 PolarHBondContact O-SG 3.48Å; K621-C624 PolarHBondContact O-N 2.93Å; N622-C624 PolarHBondContact O-N 3.14Å; C624-L628 VanDerWaalsContact O-CB 3.24Å; C624-L628 WeakPolarHBondContact O-CB 3.36Å; C624-L628 PolarHBondContact O-N 3.05Å
625	L	94.5	Very high	90.4	Very high	77 Å²	77	27.6 Å²	27.6	40%	0.403	14%	0.138	S	C	.	.	H	α-helix	trans	-68.2	-45.2	177.2	-179.8	63.7	0	0	0	111.5	L603 K621 N622 L623 L628 V629	L603-L625 HydrophobicContact CD2-CB 4.36Å; K621-L625 VanDerWaalsContact O-CB 3.3Å; K621-L625 WeakPolarHBondContact O-CB 3.43Å; K621-L625 PolarHBondContact O-N 3.05Å; N622-L625 PolarHBondContact O-N 3.15Å; L623-L625 VanDerWaalsContact C-N 3.3Å; L623-L625 PolarHBondContact O-N 3.32Å; L625-L628 PolarHBondContact O-N 3.31Å; L625-V629 HydrophobicContact CD1-CG2 4.36Å; L625-V629 WeakPolarHBondContact O-CG2 3.31Å; L625-V629 PolarHBondContact O-N 3.06Å
626	C	95.1	Very high	91.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-46.1	175.9	-70.2	0	0	0	0	111.6	N622 L623 V629 A630 A661	N622-C626 PolarHBondContact O-N 3.46Å; N622-C626 PolarHBondContact O-SG 2.99Å; N622-C626 VanDerWaalsContact O-SG 3.33Å; L623-C626 PolarHBondContact O-N 3.23Å; C626-V629 PolarHBondContact O-N 2.82Å; C626-A630 WeakPolarHBondContact O-CB 3.32Å; C626-A630 PolarHBondContact O-N 2.93Å; C626-A661 HydrophobicContact CB-CB 4.01Å
627	L	92.7	Very high	92	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-44.2	177.2	-67.4	170.8	0	0	0	112.1	L599 L623 V629 A630 E631 A661 Q818 I822	L599-L627 HydrophobicContact CD1-CB 3.81Å; L623-L627 HydrophobicContact CD1-CD1 4.3Å; L623-L627 HydrophobicContact CG-CD1 4.26Å; L623-L627 WeakPolarHBondContact O-CG 3.27Å; L623-L627 PolarHBondContact O-N 3.17Å; L623-L627 VanDerWaalsContact O-N 3.08Å; L627-V629 VanDerWaalsContact C-N 3.35Å; L627-V629 PolarHBondContact O-N 2.91Å; L627-A630 PolarHBondContact O-N 3.43Å; L627-E631 WeakPolarHBondContact O-CB 3.47Å; L627-E631 WeakPolarHBondContact O-CG 3.21Å; L627-E631 PolarHBondContact O-N 2.96Å; L627-A661 HydrophobicContact CD2-CB 3.83Å; L627-A661 HydrophobicContact CG-CB 4.12Å; L627-Q818 VanDerWaalsContact CD1-NE2 3.34Å; L627-I822 HydrophobicContact CD1-CD1 3.59Å
628	L	95.2	Very high	92.5	Very high	26 Å²	26	30.3 Å²	30.3	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-44.6	178.1	175.7	62.8	0	0	0	111.6	V596 L599 L603 C624 L625 L632	V596-L628 HydrophobicContact CB-CD1 4.26Å; V596-L628 HydrophobicContact CG1-CD1 3.86Å; V596-L628 HydrophobicContact CG2-CD1 4.2Å; L599-L628 HydrophobicContact CB-CB 4.32Å; L599-L628 HydrophobicContact CB-CD1 4.48Å; L599-L628 HydrophobicContact CD1-CB 4.33Å; L603-L628 HydrophobicContact CD1-CB 4.4Å; L603-L628 HydrophobicContact CD1-CD2 3.61Å; C624-L628 VanDerWaalsContact O-CB 3.24Å; C624-L628 WeakPolarHBondContact O-CB 3.36Å; C624-L628 PolarHBondContact O-N 3.05Å; L625-L628 PolarHBondContact O-N 3.31Å; L628-L632 HydrophobicContact CD1-CD1 3.97Å; L628-L632 HydrophobicContact CD1-CG 4.29Å; L628-L632 HydrophobicContact CG-CD1 4.05Å; L628-L632 WeakPolarHBondContact O-CB 3.13Å; L628-L632 WeakPolarHBondContact O-CD1 3.35Å; L628-L632 WeakPolarHBondContact O-CG 3.34Å; L628-L632 PolarHBondContact O-N 2.93Å; L628-L632 VanDerWaalsContact O-N 3.1Å
629	V	96.5	Very high	92.6	Very high	42 Å²	42	35.4 Å²	35.4	26%	0.255	17%	0.167	S	C	.	.	H	α-helix	trans	-69.3	-40.4	178.5	-179.8	0	0	0	0	111.1	L625 C626 L627 L632 V633 F657	L625-V629 HydrophobicContact CD1-CG2 4.36Å; L625-V629 WeakPolarHBondContact O-CG2 3.31Å; L625-V629 PolarHBondContact O-N 3.06Å; C626-V629 PolarHBondContact O-N 2.82Å; L627-V629 VanDerWaalsContact C-N 3.35Å; L627-V629 PolarHBondContact O-N 2.91Å; V629-L632 PolarHBondContact O-N 3.48Å; V629-V633 HydrophobicContact CG1-CG2 4.27Å; V629-V633 VanDerWaalsContact O-CG2 3.28Å; V629-V633 WeakPolarHBondContact O-CG2 3.5Å; V629-V633 PolarHBondContact O-N 3.42Å; V629-F657 HydrophobicContact CB-CD1 4.25Å; V629-F657 HydrophobicContact CB-CD2 4.38Å; V629-F657 HydrophobicContact CB-CE1 4.23Å; V629-F657 HydrophobicContact CB-CE2 4.38Å; V629-F657 HydrophobicContact CB-CG 4.34Å; V629-F657 HydrophobicContact CB-CZ 4.31Å; V629-F657 HydrophobicContact CG1-CD1 4.25Å; V629-F657 HydrophobicContact CG1-CD2 3.67Å; V629-F657 HydrophobicContact CG1-CE1 4Å; V629-F657 HydrophobicContact CG1-CE2 3.39Å; V629-F657 HydrophobicContact CG1-CG 4.11Å; V629-F657 HydrophobicContact CG1-CZ 3.58Å
630	A	94.3	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-46.1	175.8	0	0	0	0	0	112.4	C626 L627 V633 Y634 L654 F657 F658	C626-A630 WeakPolarHBondContact O-CB 3.32Å; C626-A630 PolarHBondContact O-N 2.93Å; L627-A630 PolarHBondContact O-N 3.43Å; A630-V633 PolarHBondContact O-N 3.5Å; A630-Y634 WeakPolarHBondContact O-CB 3.4Å; A630-Y634 PolarHBondContact O-N 2.68Å; A630-L654 VanDerWaalsContact O-CD2 3.26Å; A630-L654 WeakPolarHBondContact O-CD2 3.29Å; A630-F657 HydrophobicContact CB-CB 3.91Å; A630-F658 HydrophobicContact CB-CD1 4Å; A630-F658 HydrophobicContact CB-CE1 3.73Å; A630-F658 HydrophobicContact CB-CZ 4.03Å
631	E	93.6	Very high	92.7	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-40.7	178.2	-73.6	176.6	-176.3	0	0	112.3	S595 V596 L599 L627 Y634 M635	S595-E631 WeakPolarHBondContact CB-OE1 3.41Å; S595-E631 WeakPolarHBondContact CB-OE2 3.23Å; S595-E631 VanDerWaalsContact OG-CD 3.24Å; S595-E631 PolarHBondContact OG-OE1 3.3Å; S595-E631 PolarHBondContact OG-OE2 3.48Å; S595-E631 VanDerWaalsContact OG-OE2 3.14Å; V596-E631 HydrophobicContact CG2-CB 3.91Å; V596-E631 WeakPolarHBondContact CG2-OE2 3.39Å; V596-E631 PolarHBondContact N-OE2 3.49Å; L599-E631 WeakPolarHBondContact CD1-OE2 3.03Å; L627-E631 WeakPolarHBondContact O-CB 3.47Å; L627-E631 WeakPolarHBondContact O-CG 3.21Å; L627-E631 PolarHBondContact O-N 2.96Å; E631-Y634 PolarHBondContact O-N 3.49Å; E631-M635 WeakPolarHBondContact O-CG 3.49Å; E631-M635 PolarHBondContact O-N 3.04Å
632	L	95.2	Very high	92.3	Very high	63 Å²	63	45.8 Å²	45.8	33%	0.33	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-45	175.7	-70.3	168.7	0	0	0	111.9	V596 L628 V629 Y634 M635 F636	V596-L632 HydrophobicContact CG1-CD2 4.21Å; V596-L632 HydrophobicContact CG2-CD2 4.28Å; V596-L632 HydrophobicContact CG2-CG 4.45Å; L628-L632 HydrophobicContact CD1-CD1 3.97Å; L628-L632 HydrophobicContact CD1-CG 4.29Å; L628-L632 HydrophobicContact CG-CD1 4.05Å; L628-L632 WeakPolarHBondContact O-CB 3.13Å; L628-L632 WeakPolarHBondContact O-CD1 3.35Å; L628-L632 WeakPolarHBondContact O-CG 3.34Å; L628-L632 PolarHBondContact O-N 2.93Å; L628-L632 VanDerWaalsContact O-N 3.1Å; V629-L632 PolarHBondContact O-N 3.48Å; L632-Y634 VanDerWaalsContact C-N 3.28Å; L632-Y634 PolarHBondContact O-N 2.92Å; L632-M635 PolarHBondContact O-N 3.19Å; L632-F636 HydrophobicContact CD2-CE2 4.01Å; L632-F636 WeakPolarHBondContact O-CD2 3.3Å; L632-F636 PolarHBondContact O-N 3.46Å; L632-F636 VanDerWaalsContact O-N 3.16Å
633	V	96	Very high	92	Very high	28 Å²	28	48.6 Å²	48.6	17%	0.17	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-36	175.8	175.1	0	0	0	0	110.9	V629 A630 G637 V650 L653 L654	V629-V633 HydrophobicContact CG1-CG2 4.27Å; V629-V633 VanDerWaalsContact O-CG2 3.28Å; V629-V633 WeakPolarHBondContact O-CG2 3.5Å; V629-V633 PolarHBondContact O-N 3.42Å; A630-V633 PolarHBondContact O-N 3.5Å; V633-G637 VanDerWaalsContact O-CA 3.23Å; V633-G637 WeakPolarHBondContact O-CA 3.42Å; V633-G637 PolarHBondContact O-N 3.38Å; V633-V650 HydrophobicContact CG1-CG1 4.09Å; V633-L653 HydrophobicContact CG1-CB 4.03Å; V633-L654 HydrophobicContact CB-CD2 3.86Å; V633-L654 HydrophobicContact CB-CG 4.42Å; V633-L654 HydrophobicContact CG1-CD2 3.73Å; V633-L654 HydrophobicContact CG1-CG 3.73Å
634	Y	93.3	Very high	91.7	Very high	59 Å²	59	58 Å²	58	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-55.2	175.5	171.4	-99.3	0	0	0	110.6	S588 A630 E631 L632 F636 G637 I638	S588-Y634 WeakPolarHBondContact CB-OH 3.47Å; S588-Y634 PolarHBondContact OG-OH 3.45Å; A630-Y634 WeakPolarHBondContact O-CB 3.4Å; A630-Y634 PolarHBondContact O-N 2.68Å; E631-Y634 PolarHBondContact O-N 3.49Å; L632-Y634 VanDerWaalsContact C-N 3.28Å; L632-Y634 PolarHBondContact O-N 2.92Å; Y634-F636 VanDerWaalsContact C-N 3.35Å; Y634-F636 PolarHBondContact O-N 2.81Å; Y634-G637 PolarHBondContact O-N 3.44Å; Y634-I638 HydrophobicContact CD2-CB 4.05Å; Y634-I638 HydrophobicContact CD2-CD1 4.17Å; Y634-I638 HydrophobicContact CD2-CG1 4.02Å; Y634-I638 HydrophobicContact CD2-CG2 4.47Å; Y634-I638 HydrophobicContact CE2-CB 4.19Å; Y634-I638 HydrophobicContact CE2-CD1 4.26Å; Y634-I638 HydrophobicContact CE2-CG1 3.85Å; Y634-I638 HydrophobicContact CE2-CG2 4.33Å; Y634-I638 VanDerWaalsContact O-CB 3.25Å; Y634-I638 WeakPolarHBondContact O-CB 3.3Å; Y634-I638 WeakPolarHBondContact O-CG2 3.38Å; Y634-I638 PolarHBondContact O-N 3.35Å
635	M	92.5	Very high	91.6	Very high	32 Å²	32	62.8 Å²	62.8	16%	0.158	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-41.6	-176.3	-75.8	-179.8	61.3	0	0	113.7	Y589 C592 V593 V596 E631 L632	Y589-M635 HydrophobicContact CD1-CE 4.48Å; Y589-M635 HydrophobicContact CD1-CG 4.47Å; Y589-M635 HydrophobicContact CE1-CB 4.23Å; Y589-M635 HydrophobicContact CE1-CG 4.39Å; Y589-M635 WeakPolarHBondContact CE1-O 3.28Å; Y589-M635 PolarHBondContact OH-O 2.8Å; C592-M635 HydrophobicContact CB-CG 3.91Å; C592-M635 HydrophobicContact CB-SD 3.75Å; V593-M635 HydrophobicContact CG2-CE 3.54Å; V593-M635 HydrophobicContact CG2-SD 4.31Å; V596-M635 HydrophobicContact CG2-SD 4.39Å; E631-M635 WeakPolarHBondContact O-CG 3.49Å; E631-M635 PolarHBondContact O-N 3.04Å; L632-M635 PolarHBondContact O-N 3.19Å
636	F	93.1	Very high	91.5	Very high	149 Å²	149	61.9 Å²	61.9	65%	0.654	31%	0.306	S	S	*	.	H	α-helix	trans	-94.4	-20.8	-176.1	-63.7	-62.1	0	0	0	114.3	L632 Y634 Q640	L632-F636 HydrophobicContact CD2-CE2 4.01Å; L632-F636 WeakPolarHBondContact O-CD2 3.3Å; L632-F636 PolarHBondContact O-N 3.46Å; L632-F636 VanDerWaalsContact O-N 3.16Å; Y634-F636 VanDerWaalsContact C-N 3.35Å; Y634-F636 PolarHBondContact O-N 2.81Å; F636-Q640 PolarHBondContact O-NE2 3.48Å
637	G	92.4	Very high	91.4	Very high	5 Å²	5	62 Å²	62	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-108.5	-26.8	-170.9	0	0	0	0	0	115.9	V633 Y634 W639 Q640	V633-G637 VanDerWaalsContact O-CA 3.23Å; V633-G637 WeakPolarHBondContact O-CA 3.42Å; V633-G637 PolarHBondContact O-N 3.38Å; Y634-G637 PolarHBondContact O-N 3.44Å; G637-W639 PolarHBondContact O-N 3.21Å; G637-Q640 WeakPolarHBondContact O-CB 3.37Å; G637-Q640 WeakPolarHBondContact O-CG 3.42Å; G637-Q640 PolarHBondContact O-N 3.47Å
638	I	91.5	Very high	91.4	Very high	14 Å²	14	62.3 Å²	62.3	7%	0.072	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.3	-165.7	-165.4	62.6	0	0	0	114.3	Y634 L654 Y718 C719	Y634-I638 HydrophobicContact CD2-CB 4.05Å; Y634-I638 HydrophobicContact CD2-CD1 4.17Å; Y634-I638 HydrophobicContact CD2-CG1 4.02Å; Y634-I638 HydrophobicContact CD2-CG2 4.47Å; Y634-I638 HydrophobicContact CE2-CB 4.19Å; Y634-I638 HydrophobicContact CE2-CD1 4.26Å; Y634-I638 HydrophobicContact CE2-CG1 3.85Å; Y634-I638 HydrophobicContact CE2-CG2 4.33Å; Y634-I638 VanDerWaalsContact O-CB 3.25Å; Y634-I638 WeakPolarHBondContact O-CB 3.3Å; Y634-I638 WeakPolarHBondContact O-CG2 3.38Å; Y634-I638 PolarHBondContact O-N 3.35Å; I638-L654 HydrophobicContact CD1-CD1 4.3Å; I638-Y718 WeakPolarHBondContact O-CA 3.09Å; I638-C719 PolarHBondContact O-N 2.91Å
639	W	89.7	Confident	91.4	Very high	137 Å²	137	65.5 Å²	65.5	52%	0.519	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	6.3	179.8	-56.7	115.4	0	0	0	114.9	T585 Y589 G637 T641	T585-W639 HydrophobicContact CG2-CZ2 3.99Å; Y589-W639 AromaticContact CE2-NE1 3.65Å; Y589-W639 AromaticContact CZ-NE1 3.75Å; Y589-W639 PolarHBondContact OH-NE1 3.41Å; Y589-W639 VanDerWaalsContact OH-NE1 3.16Å; G637-W639 PolarHBondContact O-N 3.21Å; W639-T641 PolarHBondContact O-N 2.89Å
640	Q	88.6	Confident	91.3	Very high	96 Å²	96	64.2 Å²	64.2	45%	0.449	32%	0.32	S	S	.	.			trans	-79	50.7	-176.9	-62.7	-66.8	-10.9	0	0	112.6	F636 G637 T646 C647 C719	F636-Q640 PolarHBondContact O-NE2 3.48Å; G637-Q640 WeakPolarHBondContact O-CB 3.37Å; G637-Q640 WeakPolarHBondContact O-CG 3.42Å; G637-Q640 PolarHBondContact O-N 3.47Å; Q640-T646 HydrophobicContact CB-CG2 3.93Å; Q640-T646 HydrophobicContact CG-CG2 4.44Å; Q640-C647 WeakPolarHBondContact O-CB 3.46Å; Q640-C719 PolarHBondContact O-SG 2.91Å; Q640-C719 VanDerWaalsContact O-SG 3.39Å
641	T	86.3	Confident	91.3	Very high	46 Å²	46	64.2 Å²	64.2	28%	0.282	32%	0.32	S	S	.	.			trans	-79.8	-17.7	-172.8	56.1	0	0	0	0	114.3	W639 D643	W639-T641 PolarHBondContact O-N 2.89Å; T641-D643 VanDerWaalsContact C-N 3.33Å; T641-D643 PolarHBondContact O-N 2.92Å
642	T	81.8	Confident	91.4	Very high	142 Å²	142	65.1 Å²	65.1	87%	0.871	33%	0.327	S	S	*	.	S	Bend	trans	-60.2	-39.2	-177.5	-45.3	0	0	0	0	113
643	D	85.5	Confident	91.5	Very high	73 Å²	73	65.3 Å²	65.3	39%	0.39	33%	0.328	S	S	.	.	S	Bend	trans	-106.3	116.8	172.3	169.3	34	0	0	0	110.5	T641 V645 T646 C647	T641-D643 VanDerWaalsContact C-N 3.33Å; T641-D643 PolarHBondContact O-N 2.92Å; D643-V645 PolarHBondContact O-N 3.31Å; D643-V645 PolarHBondContact OD1-N 2.8Å; D643-T646 PolarHBondContact O-N 3.39Å; D643-T646 WeakPolarHBondContact OD2-CB 3.28Å; D643-T646 PolarHBondContact OD2-N 2.89Å; D643-T646 PolarHBondContact OD2-OG1 3.28Å; D643-C647 VanDerWaalsContact O-CB 3.31Å; D643-C647 WeakPolarHBondContact O-CB 3.35Å; D643-C647 PolarHBondContact O-N 3.02Å
644	R	86.2	Confident	91.5	Very high	205 Å²	205	64 Å²	64	77%	0.774	32%	0.32	S	S	*	.	H	α-helix	trans	-58.5	-32	177.6	-68.8	-175.4	174.5	-178	-3.5	112.7	G648	R644-G648 PolarHBondContact O-N 3.41Å
645	V	90.2	Very high	91.6	Very high	100 Å²	100	61.2 Å²	61.2	61%	0.606	31%	0.309	S	S	*	.	H	α-helix	trans	-72.3	-51.1	-179.6	-178.2	0	0	0	0	110.5	D643 C647 G648 I649	D643-V645 PolarHBondContact O-N 3.31Å; D643-V645 PolarHBondContact OD1-N 2.8Å; V645-C647 VanDerWaalsContact C-N 3.3Å; V645-C647 PolarHBondContact O-N 2.9Å; V645-G648 PolarHBondContact O-N 3.5Å; V645-I649 HydrophobicContact CG1-CD1 4.01Å; V645-I649 WeakPolarHBondContact O-CG1 3.49Å; V645-I649 PolarHBondContact O-N 3.45Å
646	T	90.9	Very high	91.8	Very high	59 Å²	59	62 Å²	62	36%	0.362	31%	0.31	S	S	.	.	H	α-helix	trans	-57.1	-44.6	174.6	-62.5	0	0	0	0	111.3	Q640 D643 G648 I649 V650	Q640-T646 HydrophobicContact CB-CG2 3.93Å; Q640-T646 HydrophobicContact CG-CG2 4.44Å; D643-T646 PolarHBondContact O-N 3.39Å; D643-T646 WeakPolarHBondContact OD2-CB 3.28Å; D643-T646 PolarHBondContact OD2-N 2.89Å; D643-T646 PolarHBondContact OD2-OG1 3.28Å; T646-G648 PolarHBondContact O-N 2.82Å; T646-I649 PolarHBondContact O-N 3.18Å; T646-V650 WeakPolarHBondContact O-CG2 3.25Å; T646-V650 PolarHBondContact O-N 3.35Å
647	C	93.7	Very high	92	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-41.9	178.4	-160.5	0	0	0	0	112.6	Q640 D643 V645 V650 A651 C719	Q640-C647 WeakPolarHBondContact O-CB 3.46Å; D643-C647 VanDerWaalsContact O-CB 3.31Å; D643-C647 WeakPolarHBondContact O-CB 3.35Å; D643-C647 PolarHBondContact O-N 3.02Å; V645-C647 VanDerWaalsContact C-N 3.3Å; V645-C647 PolarHBondContact O-N 2.9Å; C647-V650 PolarHBondContact O-N 3.45Å; C647-A651 WeakPolarHBondContact O-CB 3.3Å; C647-A651 PolarHBondContact O-N 2.96Å; C647-C719 WeakPolarHBondContact CA-SG 3.35Å; C647-C719 HydrophobicContact CB-CB 4.04Å; C647-C719 WeakPolarHBondContact CB-SG 3.5Å; C647-C719 WeakPolarHBondContact SG-CA 3.15Å; C647-C719 WeakPolarHBondContact SG-CB 3.29Å; C647-C719 CovalentContact SG-SG 2.05Å; C647-C719 PolarHBondContact SG-SG 3.48Å
648	G	92.8	Very high	92	Very high	14 Å²	14	58.6 Å²	58.6	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-43.1	173	0	0	0	0	0	112.9	R644 V645 T646 A651 V652	R644-G648 PolarHBondContact O-N 3.41Å; V645-G648 PolarHBondContact O-N 3.5Å; T646-G648 PolarHBondContact O-N 2.82Å; G648-A651 PolarHBondContact O-N 3.33Å; G648-V652 VanDerWaalsContact O-CG2 3.3Å; G648-V652 WeakPolarHBondContact O-CG2 3.27Å; G648-V652 PolarHBondContact O-N 3.41Å
649	I	94.7	Very high	92.1	Very high	94 Å²	94	58.3 Å²	58.3	48%	0.482	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-45.2	176.9	-68.1	165.3	0	0	0	111.1	V645 T646 A651 V652 L653	V645-I649 HydrophobicContact CG1-CD1 4.01Å; V645-I649 WeakPolarHBondContact O-CG1 3.49Å; V645-I649 PolarHBondContact O-N 3.45Å; T646-I649 PolarHBondContact O-N 3.18Å; I649-A651 PolarHBondContact O-N 2.89Å; I649-V652 PolarHBondContact O-N 3.46Å; I649-L653 HydrophobicContact CG2-CD1 3.93Å; I649-L653 HydrophobicContact CG2-CG 4.39Å; I649-L653 VanDerWaalsContact O-CG 3.31Å; I649-L653 WeakPolarHBondContact O-CG 3.11Å; I649-L653 PolarHBondContact O-N 2.97Å
650	V	95.7	Very high	92.4	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.085	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-48.3	175.2	168.8	0	0	0	0	110.7	V633 T646 C647 V652 L653 L654 C719	V633-V650 HydrophobicContact CG1-CG1 4.09Å; T646-V650 WeakPolarHBondContact O-CG2 3.25Å; T646-V650 PolarHBondContact O-N 3.35Å; C647-V650 PolarHBondContact O-N 3.45Å; V650-V652 VanDerWaalsContact C-N 3.34Å; V650-V652 PolarHBondContact O-N 3.46Å; V650-L653 PolarHBondContact O-N 2.89Å; V650-L654 HydrophobicContact CG1-CD1 3.87Å; V650-L654 HydrophobicContact CG1-CG 4.38Å; V650-L654 WeakPolarHBondContact O-CG 3.4Å; V650-L654 PolarHBondContact O-N 3.38Å; V650-C719 HydrophobicContact CB-CB 3.98Å; V650-C719 HydrophobicContact CG1-CB 3.78Å
651	A	94.6	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-40.7	179.5	0	0	0	0	0	112.3	C647 G648 I649 H655 Y713	C647-A651 WeakPolarHBondContact O-CB 3.3Å; C647-A651 PolarHBondContact O-N 2.96Å; G648-A651 PolarHBondContact O-N 3.33Å; I649-A651 PolarHBondContact O-N 2.89Å; A651-H655 VanDerWaalsContact O-CB 3.28Å; A651-H655 WeakPolarHBondContact O-CB 3.39Å; A651-H655 PolarHBondContact O-N 2.86Å; A651-Y713 HydrophobicContact CB-CD1 3.86Å
652	V	95.6	Very high	92.8	Very high	33 Å²	33	45.5 Å²	45.5	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-45.7	174.9	168.7	0	0	0	0	112	G648 I649 V650 H655 Y656 V702 L706 Y713	G648-V652 VanDerWaalsContact O-CG2 3.3Å; G648-V652 WeakPolarHBondContact O-CG2 3.27Å; G648-V652 PolarHBondContact O-N 3.41Å; I649-V652 PolarHBondContact O-N 3.46Å; V650-V652 VanDerWaalsContact C-N 3.34Å; V650-V652 PolarHBondContact O-N 3.46Å; V652-H655 PolarHBondContact O-N 3.11Å; V652-Y656 WeakPolarHBondContact O-CB 3.31Å; V652-Y656 PolarHBondContact O-N 3.03Å; V652-V702 HydrophobicContact CG1-CG1 3.93Å; V652-L706 HydrophobicContact CG1-CD1 4.17Å; V652-L706 HydrophobicContact CG2-CD1 4.17Å; V652-L706 HydrophobicContact CG2-CD2 3.75Å; V652-L706 HydrophobicContact CG2-CG 4.24Å; V652-Y713 HydrophobicContact CB-CD1 4.43Å; V652-Y713 HydrophobicContact CB-CE1 4.35Å; V652-Y713 HydrophobicContact CG2-CD1 3.56Å; V652-Y713 HydrophobicContact CG2-CD2 4.23Å; V652-Y713 HydrophobicContact CG2-CE1 3.64Å; V652-Y713 HydrophobicContact CG2-CE2 4.27Å; V652-Y713 HydrophobicContact CG2-CG 3.85Å
653	L	96.9	Very high	93.3	Very high	68 Å²	68	39 Å²	39	36%	0.356	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-46.6	179.8	-71.2	170.5	0	0	0	111.2	V633 I649 V650 Y656 F657	V633-L653 HydrophobicContact CG1-CB 4.03Å; I649-L653 HydrophobicContact CG2-CD1 3.93Å; I649-L653 HydrophobicContact CG2-CG 4.39Å; I649-L653 VanDerWaalsContact O-CG 3.31Å; I649-L653 WeakPolarHBondContact O-CG 3.11Å; I649-L653 PolarHBondContact O-N 2.97Å; V650-L653 PolarHBondContact O-N 2.89Å; L653-Y656 PolarHBondContact O-N 2.75Å; L653-F657 HydrophobicContact CB-CD2 4.5Å; L653-F657 HydrophobicContact CD2-CE2 4.09Å; L653-F657 WeakPolarHBondContact O-CD2 3.27Å; L653-F657 PolarHBondContact O-N 3.27Å
654	L	95.1	Very high	93.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-45.4	176.4	-67.6	173.6	0	0	0	111.3	A630 V633 I638 V650 Y656 F657 F658 W720	A630-L654 VanDerWaalsContact O-CD2 3.26Å; A630-L654 WeakPolarHBondContact O-CD2 3.29Å; V633-L654 HydrophobicContact CB-CD2 3.86Å; V633-L654 HydrophobicContact CB-CG 4.42Å; V633-L654 HydrophobicContact CG1-CD2 3.73Å; V633-L654 HydrophobicContact CG1-CG 3.73Å; I638-L654 HydrophobicContact CD1-CD1 4.3Å; V650-L654 HydrophobicContact CG1-CD1 3.87Å; V650-L654 HydrophobicContact CG1-CG 4.38Å; V650-L654 WeakPolarHBondContact O-CG 3.4Å; V650-L654 PolarHBondContact O-N 3.38Å; L654-Y656 VanDerWaalsContact C-N 3.32Å; L654-Y656 PolarHBondContact O-N 2.96Å; L654-F657 PolarHBondContact O-N 3.47Å; L654-F658 HydrophobicContact CB-CD2 4.32Å; L654-F658 HydrophobicContact CB-CE2 4.2Å; L654-F658 HydrophobicContact CD2-CE2 4.09Å; L654-F658 WeakPolarHBondContact O-CB 3.49Å; L654-F658 WeakPolarHBondContact O-CD2 3.32Å; L654-F658 PolarHBondContact O-N 3.13Å; L654-W720 HydrophobicContact CB-CE3 3.84Å; L654-W720 HydrophobicContact CB-CZ3 3.47Å; L654-W720 VanDerWaalsContact CB-CZ3 3.47Å; L654-W720 HydrophobicContact CD1-CE3 4.21Å
655	H	95.3	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.6	-48.4	176.9	-170.9	-173.1	0	0	0	111	A651 V652 L659 V702 Y713 L721 F731	A651-H655 VanDerWaalsContact O-CB 3.28Å; A651-H655 WeakPolarHBondContact O-CB 3.39Å; A651-H655 PolarHBondContact O-N 2.86Å; V652-H655 PolarHBondContact O-N 3.11Å; H655-L659 WeakPolarHBondContact NE2-CD1 3.31Å; H655-L659 WeakPolarHBondContact O-CG 3.4Å; H655-L659 PolarHBondContact O-N 3.21Å; H655-V702 HydrophobicContact CB-CG2 4.31Å; H655-Y713 HydrophobicContact CB-CE1 4.21Å; H655-Y713 AromaticContact ND1-CE1 3.62Å; H655-Y713 AromaticContact ND1-CZ 3.72Å; H655-Y713 PolarHBondContact ND1-OH 2.99Å; H655-L721 HydrophobicContact CB-CD1 4Å; H655-F731 AromaticContact CD2-CD2 3.82Å
656	Y	97.3	Very high	93.6	Very high	48 Å²	48	23 Å²	23	19%	0.188	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-51.2	179.5	-179.9	-107.5	0	0	0	113.2	V652 L653 L654 L659 A660 Y695 P698 F699 V702	V652-Y656 WeakPolarHBondContact O-CB 3.31Å; V652-Y656 PolarHBondContact O-N 3.03Å; L653-Y656 PolarHBondContact O-N 2.75Å; L654-Y656 VanDerWaalsContact C-N 3.32Å; L654-Y656 PolarHBondContact O-N 2.96Å; Y656-L659 PolarHBondContact O-N 2.97Å; Y656-A660 WeakPolarHBondContact O-CB 3.28Å; Y656-A660 PolarHBondContact O-N 3.41Å; Y656-Y695 WeakPolarHBondContact OH-CD1 3.3Å; Y656-Y695 PolarHBondContact OH-O 3.32Å; Y656-Y695 VanDerWaalsContact OH-O 3.12Å; Y656-P698 HydrophobicContact CD2-CB 3.95Å; Y656-P698 HydrophobicContact CE2-CB 3.82Å; Y656-F699 HydrophobicContact CE2-CB 3.85Å; Y656-V702 HydrophobicContact CD2-CG2 4.36Å
657	F	96.5	Very high	93.5	Very high	42 Å²	42	20.8 Å²	20.8	18%	0.184	11%	0.109	C	C	.	.	H	α-helix	trans	-71.1	-33	-173.8	-75.6	-65.4	0	0	0	113.4	V629 A630 L653 L654 A660 A661	V629-F657 HydrophobicContact CB-CD1 4.25Å; V629-F657 HydrophobicContact CB-CD2 4.38Å; V629-F657 HydrophobicContact CB-CE1 4.23Å; V629-F657 HydrophobicContact CB-CE2 4.38Å; V629-F657 HydrophobicContact CB-CG 4.34Å; V629-F657 HydrophobicContact CB-CZ 4.31Å; V629-F657 HydrophobicContact CG1-CD1 4.25Å; V629-F657 HydrophobicContact CG1-CD2 3.67Å; V629-F657 HydrophobicContact CG1-CE1 4Å; V629-F657 HydrophobicContact CG1-CE2 3.39Å; V629-F657 HydrophobicContact CG1-CG 4.11Å; V629-F657 HydrophobicContact CG1-CZ 3.58Å; A630-F657 HydrophobicContact CB-CB 3.91Å; L653-F657 HydrophobicContact CB-CD2 4.5Å; L653-F657 HydrophobicContact CD2-CE2 4.09Å; L653-F657 WeakPolarHBondContact O-CD2 3.27Å; L653-F657 PolarHBondContact O-N 3.27Å; L654-F657 PolarHBondContact O-N 3.47Å; F657-A660 PolarHBondContact O-N 2.7Å; F657-A661 PolarHBondContact O-N 3.38Å
658	F	93.3	Very high	93.1	Very high	40 Å²	40	22 Å²	22	18%	0.175	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-47.8	171.9	-72.2	-52.8	0	0	0	111.4	A630 L654 A660 A661 F662 W720 F731 W793	A630-F658 HydrophobicContact CB-CD1 4Å; A630-F658 HydrophobicContact CB-CE1 3.73Å; A630-F658 HydrophobicContact CB-CZ 4.03Å; L654-F658 HydrophobicContact CB-CD2 4.32Å; L654-F658 HydrophobicContact CB-CE2 4.2Å; L654-F658 HydrophobicContact CD2-CE2 4.09Å; L654-F658 WeakPolarHBondContact O-CB 3.49Å; L654-F658 WeakPolarHBondContact O-CD2 3.32Å; L654-F658 PolarHBondContact O-N 3.13Å; F658-A660 VanDerWaalsContact C-N 3.28Å; F658-A660 PolarHBondContact O-N 2.9Å; F658-A661 WeakPolarHBondContact O-CB 3.46Å; F658-A661 PolarHBondContact O-N 3.22Å; F658-A661 VanDerWaalsContact O-N 3.09Å; F658-F662 WeakPolarHBondContact O-CD2 3.36Å; F658-F662 PolarHBondContact O-N 3.48Å; F658-W720 AromaticContact CD2-CH2 3.85Å; F658-W720 HydrophobicContact CD2-CH2 3.85Å; F658-W720 HydrophobicContact CD2-CZ3 4.03Å; F658-W720 HydrophobicContact CE2-CH2 4.35Å; F658-W720 HydrophobicContact CE2-CZ3 4.29Å; F658-F731 HydrophobicContact CB-CE2 3.68Å; F658-F731 HydrophobicContact CB-CZ 4.06Å; F658-W793 HydrophobicContact CD1-CZ2 4.47Å
659	L	93.8	Very high	92.5	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-37	175.4	-73	-177.3	0	0	0	112.6	H655 Y656 F662 A663 P698 V701 V702 F731 P734 V735	H655-L659 WeakPolarHBondContact NE2-CD1 3.31Å; H655-L659 WeakPolarHBondContact O-CG 3.4Å; H655-L659 PolarHBondContact O-N 3.21Å; Y656-L659 PolarHBondContact O-N 2.97Å; L659-F662 WeakPolarHBondContact O-CB 3.45Å; L659-F662 PolarHBondContact O-N 2.89Å; L659-A663 PolarHBondContact O-N 2.99Å; L659-P698 HydrophobicContact CB-CB 3.81Å; L659-P698 HydrophobicContact CB-CG 4.26Å; L659-V701 HydrophobicContact CD1-CB 3.86Å; L659-V701 HydrophobicContact CD1-CG1 3.56Å; L659-V701 HydrophobicContact CD1-CG2 4.34Å; L659-V702 HydrophobicContact CD1-CG2 4.35Å; L659-F731 HydrophobicContact CD2-CD2 3.73Å; L659-F731 HydrophobicContact CD2-CE2 4.02Å; L659-F731 HydrophobicContact CG-CD2 3.91Å; L659-F731 HydrophobicContact CG-CE2 4.25Å; L659-P734 HydrophobicContact CD2-CB 3.87Å; L659-P734 HydrophobicContact CD2-CG 4.48Å; L659-V735 HydrophobicContact CD2-CG2 4.3Å
660	A	95.8	Very high	92.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-41.1	173.3	0	0	0	0	0	112.5	Y656 F657 F658 F662 A663 W664 Y695 P698	Y656-A660 WeakPolarHBondContact O-CB 3.28Å; Y656-A660 PolarHBondContact O-N 3.41Å; F657-A660 PolarHBondContact O-N 2.7Å; F658-A660 VanDerWaalsContact C-N 3.28Å; F658-A660 PolarHBondContact O-N 2.9Å; A660-F662 VanDerWaalsContact C-N 3.31Å; A660-F662 PolarHBondContact O-N 3.36Å; A660-A663 PolarHBondContact O-N 3.4Å; A660-W664 PolarHBondContact O-N 3Å; A660-Y695 HydrophobicContact CB-CD1 4.29Å; A660-Y695 HydrophobicContact CB-CE1 4.43Å; A660-P698 HydrophobicContact CB-CB 4.35Å; A660-P698 HydrophobicContact CB-CG 4.02Å
661	A	92.8	Very high	91.5	Very high	4 Å²	4	21 Å²	21	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-41.3	173.3	0	0	0	0	0	111.7	L623 C626 L627 F657 F658 W664 M665	L623-A661 HydrophobicContact CD1-CB 4.07Å; L623-A661 WeakPolarHBondContact CD1-O 3.41Å; C626-A661 HydrophobicContact CB-CB 4.01Å; L627-A661 HydrophobicContact CD2-CB 3.83Å; L627-A661 HydrophobicContact CG-CB 4.12Å; F657-A661 PolarHBondContact O-N 3.38Å; F658-A661 WeakPolarHBondContact O-CB 3.46Å; F658-A661 PolarHBondContact O-N 3.22Å; F658-A661 VanDerWaalsContact O-N 3.09Å; A661-W664 PolarHBondContact O-N 3.25Å; A661-M665 VanDerWaalsContact O-CB 3.26Å; A661-M665 WeakPolarHBondContact O-CB 3.42Å; A661-M665 PolarHBondContact O-N 3.05Å
662	F	90.2	Very high	90.7	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.022	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-44.8	172.6	-79.8	-71.2	0	0	0	113.4	F658 L659 A660 W664 M665 L666 F731 V735 V738 L739 L789 W793	F658-F662 WeakPolarHBondContact O-CD2 3.36Å; F658-F662 PolarHBondContact O-N 3.48Å; L659-F662 WeakPolarHBondContact O-CB 3.45Å; L659-F662 PolarHBondContact O-N 2.89Å; A660-F662 VanDerWaalsContact C-N 3.31Å; A660-F662 PolarHBondContact O-N 3.36Å; F662-W664 PolarHBondContact O-N 3.17Å; F662-M665 HydrophobicContact CD1-CE 3.43Å; F662-M665 VanDerWaalsContact CD1-CE 3.43Å; F662-M665 HydrophobicContact CD1-SD 3.71Å; F662-M665 HydrophobicContact CE1-CE 3.82Å; F662-M665 HydrophobicContact CE1-SD 4.24Å; F662-M665 HydrophobicContact CG-CE 4.1Å; F662-M665 WeakPolarHBondContact O-CB 3.42Å; F662-M665 PolarHBondContact O-N 2.84Å; F662-L666 PolarHBondContact O-N 2.88Å; F662-F731 HydrophobicContact CE2-CE2 4.4Å; F662-F731 HydrophobicContact CE2-CZ 4.1Å; F662-V735 HydrophobicContact CD1-CG1 4.46Å; F662-V735 HydrophobicContact CD2-CG2 3.64Å; F662-V735 HydrophobicContact CE1-CG1 3.77Å; F662-V735 HydrophobicContact CE1-CG2 4.34Å; F662-V735 HydrophobicContact CE2-CB 4.4Å; F662-V735 HydrophobicContact CE2-CG1 4.11Å; F662-V735 HydrophobicContact CE2-CG2 3.43Å; F662-V735 VanDerWaalsContact CE2-CG2 3.43Å; F662-V735 HydrophobicContact CG-CG2 4.19Å; F662-V735 HydrophobicContact CZ-CB 4.29Å; F662-V735 HydrophobicContact CZ-CG1 3.55Å; F662-V735 HydrophobicContact CZ-CG2 3.79Å; F662-V738 HydrophobicContact CB-CB 4.46Å; F662-V738 HydrophobicContact CB-CG1 4.04Å; F662-V738 HydrophobicContact CB-CG2 4.34Å; F662-V738 HydrophobicContact CD1-CB 4.46Å; F662-V738 HydrophobicContact CD1-CG1 3.89Å; F662-V738 HydrophobicContact CG-CG1 4.45Å; F662-V738 WeakPolarHBondContact O-CG1 3.01Å; F662-L739 HydrophobicContact CE1-CD2 4.29Å; F662-L739 HydrophobicContact CE1-CG 4.47Å; F662-L789 HydrophobicContact CE1-CD2 4.46Å; F662-W793 AromaticContact CE1-CD1 3.96Å; F662-W793 HydrophobicContact CE1-CG 4.23Å; F662-W793 HydrophobicContact CE2-CD2 4.2Å; F662-W793 AromaticContact CE2-CE2 3.9Å; F662-W793 HydrophobicContact CE2-CH2 4.48Å; F662-W793 HydrophobicContact CE2-CZ2 4.05Å; F662-W793 HydrophobicContact CZ-CB 4.42Å; F662-W793 AromaticContact CZ-CD1 3.51Å; F662-W793 AromaticContact CZ-CD2 3.56Å; F662-W793 HydrophobicContact CZ-CD2 3.56Å; F662-W793 AromaticContact CZ-CE2 3.47Å; F662-W793 VanDerWaalsContact CZ-CE2 3.47Å; F662-W793 HydrophobicContact CZ-CE3 4.28Å; F662-W793 AromaticContact CZ-CG 3.59Å; F662-W793 HydrophobicContact CZ-CG 3.59Å; F662-W793 HydrophobicContact CZ-CZ2 4.11Å; F662-W793 AromaticContact CZ-NE1 3.47Å
663	A	92.4	Very high	90	Very high	7 Å²	7	23.5 Å²	23.5	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-42.1	177.5	0	0	0	0	0	112.3	L659 A660 M665 L666 L667 F693 P698	L659-A663 PolarHBondContact O-N 2.99Å; A660-A663 PolarHBondContact O-N 3.4Å; A663-M665 VanDerWaalsContact C-N 3.34Å; A663-M665 PolarHBondContact O-N 3.37Å; A663-L666 PolarHBondContact O-N 3.46Å; A663-L667 WeakPolarHBondContact O-CG 3.31Å; A663-L667 PolarHBondContact O-N 3.5Å; A663-F693 HydrophobicContact CB-CD1 4.5Å; A663-F693 HydrophobicContact CB-CE1 4.25Å; A663-P698 HydrophobicContact CB-CG 4.03Å
664	W	92.5	Very high	89.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.9	-34.1	175.6	-79.9	110.6	0	0	0	113.5	I619 N622 L623 A660 A661 F662 L667 E668 F690 Y691 Y695	I619-W664 HydrophobicContact CB-CE3 4.35Å; I619-W664 HydrophobicContact CG1-CE3 4.2Å; I619-W664 HydrophobicContact CG1-CZ3 4.09Å; I619-W664 HydrophobicContact CG2-CE3 4.25Å; I619-W664 VanDerWaalsContact CG2-O 3.28Å; I619-W664 WeakPolarHBondContact CG2-O 3.44Å; N622-W664 HydrophobicContact CB-CD2 3.52Å; N622-W664 HydrophobicContact CB-CE3 3.97Å; N622-W664 HydrophobicContact CB-CG 3.97Å; N622-W664 HydrophobicContact CB-CH2 4.13Å; N622-W664 HydrophobicContact CB-CZ2 3.72Å; N622-W664 HydrophobicContact CB-CZ3 4.24Å; L623-W664 HydrophobicContact CB-CB 4.2Å; L623-W664 HydrophobicContact CD1-CB 4.39Å; A660-W664 PolarHBondContact O-N 3Å; A661-W664 PolarHBondContact O-N 3.25Å; F662-W664 PolarHBondContact O-N 3.17Å; W664-L667 HydrophobicContact CD2-CD1 4.33Å; W664-L667 HydrophobicContact CE3-CD1 3.75Å; W664-L667 HydrophobicContact CH2-CD1 4.48Å; W664-L667 HydrophobicContact CZ3-CD1 3.84Å; W664-L667 WeakPolarHBondContact O-CB 3.49Å; W664-L667 PolarHBondContact O-N 3.3Å; W664-E668 PolarHBondContact O-N 3.47Å; W664-F690 HydrophobicContact CH2-CB 4.28Å; W664-F690 HydrophobicContact CZ3-CB 4.11Å; W664-Y691 AromaticContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CE1 4.14Å; W664-Y691 HydrophobicContact CH2-CG 4.15Å; W664-Y691 AromaticContact CZ2-CD1 3.85Å; W664-Y691 HydrophobicContact CZ2-CD1 3.85Å; W664-Y691 HydrophobicContact CZ2-CE1 4.13Å; W664-Y691 HydrophobicContact CZ2-CG 4.42Å; W664-Y695 AromaticContact CE2-CE2 3.77Å; W664-Y695 AromaticContact CZ2-CD2 3.77Å; W664-Y695 HydrophobicContact CZ2-CD2 3.77Å; W664-Y695 AromaticContact CZ2-CE2 3.49Å; W664-Y695 HydrophobicContact CZ2-CE2 3.49Å; W664-Y695 VanDerWaalsContact CZ2-CE2 3.49Å; W664-Y695 AromaticContact NE1-CD2 3.86Å; W664-Y695 AromaticContact NE1-CE1 3.69Å; W664-Y695 AromaticContact NE1-CE2 3.48Å; W664-Y695 AromaticContact NE1-CZ 3.38Å
665	M	86.9	Confident	88.1	Confident	14 Å²	14	25.1 Å²	25.1	7%	0.069	12%	0.119	C	C	.	.	H	α-helix	trans	-71.4	-36.4	173.5	164.6	-140.5	-55.5	0	0	112.6	L623 A661 F662 A663 L667 E668 G669 V738 N742 L789	L623-M665 HydrophobicContact CD1-CB 4.22Å; A661-M665 VanDerWaalsContact O-CB 3.26Å; A661-M665 WeakPolarHBondContact O-CB 3.42Å; A661-M665 PolarHBondContact O-N 3.05Å; F662-M665 HydrophobicContact CD1-CE 3.43Å; F662-M665 VanDerWaalsContact CD1-CE 3.43Å; F662-M665 HydrophobicContact CD1-SD 3.71Å; F662-M665 HydrophobicContact CE1-CE 3.82Å; F662-M665 HydrophobicContact CE1-SD 4.24Å; F662-M665 HydrophobicContact CG-CE 4.1Å; F662-M665 WeakPolarHBondContact O-CB 3.42Å; F662-M665 PolarHBondContact O-N 2.84Å; A663-M665 VanDerWaalsContact C-N 3.34Å; A663-M665 PolarHBondContact O-N 3.37Å; M665-L667 VanDerWaalsContact C-N 3.3Å; M665-E668 VanDerWaalsContact O-CB 3.31Å; M665-E668 WeakPolarHBondContact O-CB 3.22Å; M665-E668 PolarHBondContact O-N 3.33Å; M665-E668 VanDerWaalsContact O-N 3.1Å; M665-G669 PolarHBondContact O-N 3.43Å; M665-V738 HydrophobicContact SD-CG1 4.06Å; M665-N742 PolarHBondContact O-OD1 3.27Å; M665-L789 HydrophobicContact CE-CD1 3.33Å; M665-L789 HydrophobicContact CE-CD2 3.3Å; M665-L789 HydrophobicContact CE-CG 3.88Å; M665-L789 HydrophobicContact CG-CD2 4.24Å; M665-L789 HydrophobicContact SD-CD1 4.4Å; M665-L789 HydrophobicContact SD-CD2 3.23Å; M665-L789 WeakPolarHBondContact SD-CD2 3.46Å; M665-L789 HydrophobicContact SD-CG 4.4Å
666	L	88	Confident	87	Confident	27 Å²	27	26.9 Å²	26.9	14%	0.141	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-41.2	169.2	-176.7	57.8	0	0	0	111.3	F662 A663 E668 G669 F670 F693 V738 A741 N742 L745	F662-L666 PolarHBondContact O-N 2.88Å; A663-L666 PolarHBondContact O-N 3.46Å; L666-E668 VanDerWaalsContact C-N 3.26Å; L666-E668 PolarHBondContact O-N 2.91Å; L666-G669 PolarHBondContact O-N 3.38Å; L666-F670 WeakPolarHBondContact O-CB 3.45Å; L666-F670 PolarHBondContact O-N 3.49Å; L666-F693 HydrophobicContact CD2-CE1 4.09Å; L666-F693 HydrophobicContact CD2-CZ 3.95Å; L666-V738 HydrophobicContact CB-CG1 4.15Å; L666-V738 HydrophobicContact CD2-CG2 4.28Å; L666-A741 HydrophobicContact CD1-CB 3.68Å; L666-N742 WeakPolarHBondContact CA-OD1 3.31Å; L666-L745 HydrophobicContact CD1-CD1 3.95Å
667	L	89.7	Confident	85.8	Confident	12 Å²	12	28 Å²	28	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-29.9	172.1	-67.8	173.9	0	0	0	112.6	I619 A663 W664 M665 Q671 F690 F693	I619-L667 HydrophobicContact CD1-CB 4.48Å; A663-L667 WeakPolarHBondContact O-CG 3.31Å; A663-L667 PolarHBondContact O-N 3.5Å; W664-L667 HydrophobicContact CD2-CD1 4.33Å; W664-L667 HydrophobicContact CE3-CD1 3.75Å; W664-L667 HydrophobicContact CH2-CD1 4.48Å; W664-L667 HydrophobicContact CZ3-CD1 3.84Å; W664-L667 WeakPolarHBondContact O-CB 3.49Å; W664-L667 PolarHBondContact O-N 3.3Å; M665-L667 VanDerWaalsContact C-N 3.3Å; L667-Q671 WeakPolarHBondContact O-CB 3.42Å; L667-Q671 PolarHBondContact O-N 2.93Å; L667-F690 HydrophobicContact CD1-CB 4Å; L667-F690 HydrophobicContact CD1-CD1 4.5Å; L667-F690 HydrophobicContact CD1-CG 4.41Å; L667-F690 VanDerWaalsContact CD1-O 3.31Å; L667-F690 WeakPolarHBondContact CD1-O 3.04Å; L667-F690 HydrophobicContact CD2-CD1 3.74Å; L667-F690 HydrophobicContact CD2-CE1 4.16Å; L667-F690 HydrophobicContact CD2-CG 4.41Å; L667-F693 HydrophobicContact CD1-CD1 3.98Å; L667-F693 HydrophobicContact CD2-CD1 3.8Å; L667-F693 HydrophobicContact CD2-CE1 4.44Å; L667-F693 HydrophobicContact CD2-CG 4.4Å; L667-F693 HydrophobicContact CG-CD1 3.79Å; L667-F693 HydrophobicContact CG-CE1 4.36Å
668	E	84.4	Confident	84.4	Confident	31 Å²	31	29.6 Å²	29.6	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-46.5	172.4	-168.4	177.1	140.9	0	0	111.7	I619 H620 W664 M665 L666 Q671 L672 L785	I619-E668 HydrophobicContact CG2-CB 3.81Å; I619-E668 HydrophobicContact CG2-CG 4.41Å; H620-E668 IonicContact CE1-OE1 3.78Å; H620-E668 PolarHBondContact CE1-OE1 3Å; H620-E668 VanDerWaalsContact CE1-OE1 3.28Å; H620-E668 IonicContact CE1-OE2 4Å; H620-E668 PolarHBondContact CE1-OE2 3.41Å; H620-E668 VanDerWaalsContact ND1-CD 3.35Å; H620-E668 IonicContact ND1-OE1 3.61Å; H620-E668 IonicContact ND1-OE2 3.08Å; H620-E668 PolarHBondContact ND1-OE2 3.32Å; W664-E668 PolarHBondContact O-N 3.47Å; M665-E668 VanDerWaalsContact O-CB 3.31Å; M665-E668 WeakPolarHBondContact O-CB 3.22Å; M665-E668 PolarHBondContact O-N 3.33Å; M665-E668 VanDerWaalsContact O-N 3.1Å; L666-E668 VanDerWaalsContact C-N 3.26Å; L666-E668 PolarHBondContact O-N 2.91Å; E668-Q671 PolarHBondContact O-N 3.33Å; E668-L672 PolarHBondContact O-N 3.19Å; E668-L785 WeakPolarHBondContact OE1-CD2 3.19Å
669	G	81.3	Confident	82.8	Confident	6 Å²	6	33.6 Å²	33.6	6%	0.062	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-44.1	173.8	0	0	0	0	0	112.4	M665 L666 L672 Y673	M665-G669 PolarHBondContact O-N 3.43Å; L666-G669 PolarHBondContact O-N 3.38Å; G669-L672 PolarHBondContact O-N 3.09Å; G669-Y673 PolarHBondContact O-N 2.98Å
670	F	85.3	Confident	80.7	Confident	80 Å²	80	40 Å²	40	35%	0.351	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-44.3	175.4	-179	-102.1	0	0	0	112.3	L666 L672 Y673 S674 F690 L745	L666-F670 WeakPolarHBondContact O-CB 3.45Å; L666-F670 PolarHBondContact O-N 3.49Å; F670-L672 VanDerWaalsContact C-N 3.28Å; F670-L672 PolarHBondContact O-N 3.49Å; F670-Y673 HydrophobicContact CD2-CD1 4.48Å; F670-Y673 HydrophobicContact CE2-CD1 4.49Å; F670-Y673 WeakPolarHBondContact O-CB 3.29Å; F670-Y673 PolarHBondContact O-N 3.33Å; F670-Y673 VanDerWaalsContact O-N 3.15Å; F670-S674 PolarHBondContact O-N 3.44Å; F670-F690 HydrophobicContact CD1-CE1 4.22Å; F670-F690 HydrophobicContact CE1-CE1 4.32Å; F670-L745 HydrophobicContact CB-CD1 4.38Å
671	Q	83.3	Confident	78.6	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.065	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-30.9	176.8	175.8	61.8	76.9	0	0	112.7	I619 L667 E668 L675 R686	I619-Q671 HydrophobicContact CD1-CB 3.61Å; I619-Q671 HydrophobicContact CD1-CG 3.8Å; L667-Q671 WeakPolarHBondContact O-CB 3.42Å; L667-Q671 PolarHBondContact O-N 2.93Å; E668-Q671 PolarHBondContact O-N 3.33Å; Q671-L675 WeakPolarHBondContact O-CB 3.48Å; Q671-L675 PolarHBondContact O-N 3.08Å; Q671-R686 VanDerWaalsContact NE2-NH2 3.17Å
672	L	77.6	Confident	76.6	Confident	19 Å²	19	51.4 Å²	51.4	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-44.3	171.9	-178.6	61	0	0	0	111.2	E668 G669 F670 L675 L676 L746 A782	E668-L672 PolarHBondContact O-N 3.19Å; G669-L672 PolarHBondContact O-N 3.09Å; F670-L672 VanDerWaalsContact C-N 3.28Å; F670-L672 PolarHBondContact O-N 3.49Å; L672-L675 PolarHBondContact O-N 3.26Å; L672-L676 HydrophobicContact CG-CD1 4.43Å; L672-L676 WeakPolarHBondContact O-CD1 3.33Å; L672-L676 PolarHBondContact O-N 3.33Å; L672-L746 HydrophobicContact CD2-CD2 3.67Å; L672-A782 HydrophobicContact CD2-CB 3.79Å
673	Y	80.8	Confident	74.9	Confident	67 Å²	67	54 Å²	54	26%	0.263	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-50.9	175.9	168.5	-99.1	0	0	0	112.5	G669 F670 L675 L676 V677 L745 I748 I752	G669-Y673 PolarHBondContact O-N 2.98Å; F670-Y673 HydrophobicContact CD2-CD1 4.48Å; F670-Y673 HydrophobicContact CE2-CD1 4.49Å; F670-Y673 WeakPolarHBondContact O-CB 3.29Å; F670-Y673 PolarHBondContact O-N 3.33Å; F670-Y673 VanDerWaalsContact O-N 3.15Å; Y673-L675 VanDerWaalsContact C-N 3.28Å; Y673-L675 PolarHBondContact O-N 3.47Å; Y673-L676 WeakPolarHBondContact O-CB 3.31Å; Y673-L676 PolarHBondContact O-N 2.96Å; Y673-V677 HydrophobicContact CD2-CG2 4.11Å; Y673-V677 HydrophobicContact CE1-CG2 4.48Å; Y673-V677 HydrophobicContact CE2-CG2 3.58Å; Y673-V677 PolarHBondContact O-N 3.36Å; Y673-L745 HydrophobicContact CD1-CD2 4.26Å; Y673-L745 HydrophobicContact CG-CD2 4.03Å; Y673-I748 HydrophobicContact CD2-CG2 3.99Å; Y673-I748 HydrophobicContact CE2-CG2 3.66Å; Y673-I752 HydrophobicContact CE2-CD1 4.31Å
674	S	79.1	Confident	73.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-37.8	177.6	-77.9	0	0	0	0	112.1	F670 L676 V677 E678	F670-S674 PolarHBondContact O-N 3.44Å; S674-L676 PolarHBondContact O-N 3.47Å; S674-V677 PolarHBondContact O-N 3.27Å; S674-E678 WeakPolarHBondContact CB-OE1 3.44Å; S674-E678 WeakPolarHBondContact O-CA 3.27Å; S674-E678 WeakPolarHBondContact O-CB 3.47Å; S674-E678 PolarHBondContact O-N 3.21Å; S674-E678 PolarHBondContact OG-OE1 2.71Å
675	L	74.1	Confident	71.9	Confident	102 Å²	102	67.6 Å²	67.6	53%	0.534	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-22.2	175.8	-178.2	64.7	0	0	0	113.6	Q671 L672 Y673	Q671-L675 WeakPolarHBondContact O-CB 3.48Å; Q671-L675 PolarHBondContact O-N 3.08Å; L672-L675 PolarHBondContact O-N 3.26Å; Y673-L675 VanDerWaalsContact C-N 3.28Å; Y673-L675 PolarHBondContact O-N 3.47Å
676	L	72.5	Confident	71.3	Confident	37 Å²	37	69 Å²	69	19%	0.194	36%	0.358	C	S	.	.	H	α-helix	trans	-93.8	-21.7	-179.2	-72.2	159.7	0	0	0	113.5	L672 Y673 S674 I752 I753	L672-L676 HydrophobicContact CG-CD1 4.43Å; L672-L676 WeakPolarHBondContact O-CD1 3.33Å; L672-L676 PolarHBondContact O-N 3.33Å; Y673-L676 WeakPolarHBondContact O-CB 3.31Å; Y673-L676 PolarHBondContact O-N 2.96Å; S674-L676 PolarHBondContact O-N 3.47Å; L676-I752 HydrophobicContact CB-CG2 4.35Å; L676-I753 HydrophobicContact CD1-CD1 3.43Å; L676-I753 VanDerWaalsContact CD1-CD1 3.43Å; L676-I753 HydrophobicContact CD2-CD1 3.43Å; L676-I753 VanDerWaalsContact CD2-CD1 3.43Å; L676-I753 HydrophobicContact CD2-CG1 3.71Å; L676-I753 HydrophobicContact CG-CD1 4.07Å
677	V	72.3	Confident	70.8	Confident	70 Å²	70	74.1 Å²	74.1	42%	0.424	38%	0.375	S	S	.	.	H	α-helix	trans	-111.6	-41.9	-174.7	178.9	0	0	0	0	112.3	Y673 S674 V679 I752	Y673-V677 HydrophobicContact CD2-CG2 4.11Å; Y673-V677 HydrophobicContact CE1-CG2 4.48Å; Y673-V677 HydrophobicContact CE2-CG2 3.58Å; Y673-V677 PolarHBondContact O-N 3.36Å; S674-V677 PolarHBondContact O-N 3.27Å; V677-V679 PolarHBondContact O-N 3.36Å; V677-I752 HydrophobicContact CG2-CD1 3.57Å
678	E	67	Low	70.3	Confident	77 Å²	77	77.1 Å²	77.1	36%	0.36	39%	0.394	S	S	.	.			trans	-82.9	92.6	177.9	-66.2	170	-137.5	0	0	109.8	S674 F680 S682 R686	S674-E678 WeakPolarHBondContact CB-OE1 3.44Å; S674-E678 WeakPolarHBondContact O-CA 3.27Å; S674-E678 WeakPolarHBondContact O-CB 3.47Å; S674-E678 PolarHBondContact O-N 3.21Å; S674-E678 PolarHBondContact OG-OE1 2.71Å; E678-F680 PolarHBondContact O-N 2.8Å; E678-S682 WeakPolarHBondContact OE2-CB 3.14Å; E678-S682 PolarHBondContact OE2-OG 3.28Å; E678-R686 IonicContact OE2-NH1 3.92Å
679	V	59.4	Low	70.2	Confident	124 Å²	124	77.2 Å²	77.2	75%	0.752	40%	0.398	S	S	*	.			trans	-76	-11	174	-175.9	0	0	0	0	112.1	V677	V677-V679 PolarHBondContact O-N 3.36Å
680	F	49.7	Very low	70.6	Confident	144 Å²	144	77.4 Å²	77.4	63%	0.632	40%	0.397	S	S	*	.	S	Bend	trans	-116.5	139.3	-178.8	-58.1	-75.4	0	0	0	110.8	E678 S682	E678-F680 PolarHBondContact O-N 2.8Å; F680-S682 PolarHBondContact O-N 2.99Å; F680-S682 VanDerWaalsContact O-N 3.13Å
681	E	52.4	Low	70.8	Confident	203 Å²	203	78.6 Å²	78.6	95%	0.949	40%	0.4	S	S	*	.			trans	-65.6	109.8	-174.3	-64	-170.3	149.2	0	0	112.3
682	S	49.8	Very low	71.1	Confident	40 Å²	40	81.5 Å²	81.5	28%	0.28	42%	0.421	S	S	.	.			trans	-73.5	129.6	171.3	44.3	0	0	0	0	111	E678 F680 R686	E678-S682 WeakPolarHBondContact OE2-CB 3.14Å; E678-S682 PolarHBondContact OE2-OG 3.28Å; F680-S682 PolarHBondContact O-N 2.99Å; F680-S682 VanDerWaalsContact O-N 3.13Å; S682-R686 PolarHBondContact OG-NH1 3.39Å
683	G	53.8	Low	71.7	Confident	60 Å²	60	82.4 Å²	82.4	62%	0.619	42%	0.424	S	S	*	.			trans	-66.4	175.9	-158	0	0	0	0	0	118.9	N685	G683-N685 PolarHBondContact O-N 2.96Å
684	H	54.7	Low	72.2	Confident	203 Å²	203	79.2 Å²	79.2	94%	0.94	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	4.2	-159.1	-153.4	92.8	0	0	0	119.3
685	N	68.5	Low	73	Confident	89 Å²	89	81.6 Å²	81.6	48%	0.476	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.7	-175.3	-157.2	19.2	0	0	0	115.1	G683 R687 T688	G683-N685 PolarHBondContact O-N 2.96Å; N685-R687 VanDerWaalsContact C-N 3.34Å; N685-R687 PolarHBondContact O-N 3.29Å; N685-T688 PolarHBondContact O-N 2.95Å; N685-T688 VanDerWaalsContact OD1-CB 3.24Å; N685-T688 WeakPolarHBondContact OD1-CB 3.28Å; N685-T688 PolarHBondContact OD1-OG1 3.27Å
686	R	74.4	Confident	73.8	Confident	43 Å²	43	78.1 Å²	78.1	16%	0.162	41%	0.409	C	S	.	.	H	α-helix	trans	-59	-40.1	-176.2	-168.1	164	77.5	169.7	14.4	113.9	E615 Q671 E678 S682 T688 C689 F690	E615-R686 IonicContact OE1-NE 3.79Å; E615-R686 PolarHBondContact OE1-NE 3.03Å; E615-R686 IonicContact OE2-CZ 3.02Å; E615-R686 IonicContact OE2-NE 3.32Å; E615-R686 PolarHBondContact OE2-NE 3.45Å; E615-R686 IonicContact OE2-NH2 2.94Å; E615-R686 PolarHBondContact OE2-NH2 3.47Å; Q671-R686 VanDerWaalsContact NE2-NH2 3.17Å; E678-R686 IonicContact OE2-NH1 3.92Å; S682-R686 PolarHBondContact OG-NH1 3.39Å; R686-T688 VanDerWaalsContact C-N 3.29Å; R686-T688 PolarHBondContact O-N 3.49Å; R686-C689 PolarHBondContact O-N 3.22Å; R686-F690 HydrophobicContact CG-CD1 4.42Å; R686-F690 HydrophobicContact CG-CE1 3.82Å; R686-F690 HydrophobicContact CG-CE2 4.02Å; R686-F690 HydrophobicContact CG-CZ 3.6Å; R686-F690 PolarHBondContact O-N 2.97Å; R686-F690 VanDerWaalsContact O-N 3.14Å
687	R	76.1	Confident	74.7	Confident	134 Å²	134	77.1 Å²	77.1	51%	0.506	41%	0.407	S	S	.	.	H	α-helix	trans	-57.1	-39.9	178.6	-62.8	-178.6	-175.6	-174.6	0.8	112.8	E615 N685 F690 Y691	E615-R687 HydrophobicContact CG-CG 4.22Å; N685-R687 VanDerWaalsContact C-N 3.34Å; N685-R687 PolarHBondContact O-N 3.29Å; R687-F690 PolarHBondContact O-N 3.1Å; R687-Y691 VanDerWaalsContact O-CD2 3.31Å; R687-Y691 WeakPolarHBondContact O-CD2 3.47Å; R687-Y691 PolarHBondContact O-N 3.04Å; R687-Y691 VanDerWaalsContact O-N 3.08Å
688	T	80.9	Confident	75.7	Confident	75 Å²	75	74 Å²	74	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-44.6	179.5	-44.8	0	0	0	0	111	N685 R686 F690 Y691 C692	N685-T688 PolarHBondContact O-N 2.95Å; N685-T688 VanDerWaalsContact OD1-CB 3.24Å; N685-T688 WeakPolarHBondContact OD1-CB 3.28Å; N685-T688 PolarHBondContact OD1-OG1 3.27Å; R686-T688 VanDerWaalsContact C-N 3.29Å; R686-T688 PolarHBondContact O-N 3.49Å; T688-F690 VanDerWaalsContact C-N 3.33Å; T688-F690 PolarHBondContact O-N 3.41Å; T688-Y691 PolarHBondContact O-N 2.89Å; T688-C692 PolarHBondContact O-N 3.25Å; T688-C692 PolarHBondContact O-SG 2.91Å
689	C	82.2	Confident	77.1	Confident	33 Å²	33	76.3 Å²	76.3	22%	0.223	40%	0.397	C	S	.	.	H	α-helix	trans	-60.3	-41.8	175.1	173.3	0	0	0	0	111.7	C28 R686 Y691 C692 F693	C28-C689 HydrophobicContact CB-CB 4.32Å; C28-C689 WeakPolarHBondContact CB-SG 3.48Å; C28-C689 WeakPolarHBondContact SG-CB 3.3Å; C28-C689 CovalentContact SG-SG 2.05Å; C28-C689 PolarHBondContact SG-SG 3.36Å; R686-C689 PolarHBondContact O-N 3.22Å; C689-Y691 PolarHBondContact O-N 3.31Å; C689-C692 PolarHBondContact O-N 3.02Å; C689-F693 WeakPolarHBondContact O-CB 3.38Å; C689-F693 PolarHBondContact O-N 3.29Å
690	F	88.4	Confident	78.7	Confident	10 Å²	10	72.1 Å²	72.1	4%	0.044	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-43.6	175.8	-67.1	-9.2	0	0	0	112.7	I619 W664 L667 F670 R686 R687 T688 G694	I619-F690 HydrophobicContact CD1-CD2 4.08Å; I619-F690 HydrophobicContact CD1-CE2 3.87Å; I619-F690 HydrophobicContact CG1-CD2 4.25Å; W664-F690 HydrophobicContact CH2-CB 4.28Å; W664-F690 HydrophobicContact CZ3-CB 4.11Å; L667-F690 HydrophobicContact CD1-CB 4Å; L667-F690 HydrophobicContact CD1-CD1 4.5Å; L667-F690 HydrophobicContact CD1-CG 4.41Å; L667-F690 VanDerWaalsContact CD1-O 3.31Å; L667-F690 WeakPolarHBondContact CD1-O 3.04Å; L667-F690 HydrophobicContact CD2-CD1 3.74Å; L667-F690 HydrophobicContact CD2-CE1 4.16Å; L667-F690 HydrophobicContact CD2-CG 4.41Å; F670-F690 HydrophobicContact CD1-CE1 4.22Å; F670-F690 HydrophobicContact CE1-CE1 4.32Å; R686-F690 HydrophobicContact CG-CD1 4.42Å; R686-F690 HydrophobicContact CG-CE1 3.82Å; R686-F690 HydrophobicContact CG-CE2 4.02Å; R686-F690 HydrophobicContact CG-CZ 3.6Å; R686-F690 PolarHBondContact O-N 2.97Å; R686-F690 VanDerWaalsContact O-N 3.14Å; R687-F690 PolarHBondContact O-N 3.1Å; T688-F690 VanDerWaalsContact C-N 3.33Å; T688-F690 PolarHBondContact O-N 3.41Å; F690-G694 PolarHBondContact O-N 3.41Å
691	Y	90.6	Very high	80.7	Confident	105 Å²	105	65.9 Å²	65.9	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-42.4	175.5	-84.3	-74.8	0	0	0	112.8	T618 N622 W664 R687 T688 C689 Y695	T618-Y691 HydrophobicContact CG2-CE2 3.96Å; T618-Y691 WeakPolarHBondContact CG2-OH 3.29Å; N622-Y691 PolarHBondContact ND2-OH 3.28Å; N622-Y691 WeakPolarHBondContact OD1-CE1 3.35Å; W664-Y691 AromaticContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CE1 4.14Å; W664-Y691 HydrophobicContact CH2-CG 4.15Å; W664-Y691 AromaticContact CZ2-CD1 3.85Å; W664-Y691 HydrophobicContact CZ2-CD1 3.85Å; W664-Y691 HydrophobicContact CZ2-CE1 4.13Å; W664-Y691 HydrophobicContact CZ2-CG 4.42Å; R687-Y691 VanDerWaalsContact O-CD2 3.31Å; R687-Y691 WeakPolarHBondContact O-CD2 3.47Å; R687-Y691 PolarHBondContact O-N 3.04Å; R687-Y691 VanDerWaalsContact O-N 3.08Å; T688-Y691 PolarHBondContact O-N 2.89Å; C689-Y691 PolarHBondContact O-N 3.31Å; Y691-Y695 HydrophobicContact CD1-CD2 4.04Å; Y691-Y695 AromaticContact CD1-CE2 3.9Å; Y691-Y695 HydrophobicContact CD1-CE2 3.9Å; Y691-Y695 HydrophobicContact CE1-CE2 4.11Å; Y691-Y695 PolarHBondContact O-N 2.93Å
692	C	89.1	Confident	82.8	Confident	76 Å²	76	56.6 Å²	56.6	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.7	-68.8	0	0	0	0	112.1	T688 C689 G696	T688-C692 PolarHBondContact O-N 3.25Å; T688-C692 PolarHBondContact O-SG 2.91Å; C689-C692 PolarHBondContact O-N 3.02Å; C692-G696 WeakPolarHBondContact O-CA 3.23Å; C692-G696 PolarHBondContact O-N 3.46Å
693	F	90.1	Very high	84.8	Confident	38 Å²	38	56.4 Å²	56.4	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-70.6	-53.1	177.8	-175.6	-94.2	0	0	0	111.7	A663 L666 L667 C689 Y695 G696 A697	A663-F693 HydrophobicContact CB-CD1 4.5Å; A663-F693 HydrophobicContact CB-CE1 4.25Å; L666-F693 HydrophobicContact CD2-CE1 4.09Å; L666-F693 HydrophobicContact CD2-CZ 3.95Å; L667-F693 HydrophobicContact CD1-CD1 3.98Å; L667-F693 HydrophobicContact CD2-CD1 3.8Å; L667-F693 HydrophobicContact CD2-CE1 4.44Å; L667-F693 HydrophobicContact CD2-CG 4.4Å; L667-F693 HydrophobicContact CG-CD1 3.79Å; L667-F693 HydrophobicContact CG-CE1 4.36Å; C689-F693 WeakPolarHBondContact O-CB 3.38Å; C689-F693 PolarHBondContact O-N 3.29Å; F693-Y695 VanDerWaalsContact C-N 3.27Å; F693-Y695 PolarHBondContact O-N 3.5Å; F693-G696 PolarHBondContact O-N 3.28Å; F693-A697 PolarHBondContact O-N 2.9Å
694	G	91.4	Very high	86.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-25.9	-171.9	0	0	0	0	0	115.2	F690	F690-G694 PolarHBondContact O-N 3.41Å
695	Y	95.2	Very high	88.4	Confident	51 Å²	51	45.8 Å²	45.8	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-114.2	-25.4	176.1	-69.6	-64.7	0	0	0	114.4	N622 Y656 A660 W664 Y691 F693 F699	N622-Y695 PolarHBondContact OD1-OH 2.97Å; N622-Y695 VanDerWaalsContact OD1-OH 3.12Å; Y656-Y695 WeakPolarHBondContact OH-CD1 3.3Å; Y656-Y695 PolarHBondContact OH-O 3.32Å; Y656-Y695 VanDerWaalsContact OH-O 3.12Å; A660-Y695 HydrophobicContact CB-CD1 4.29Å; A660-Y695 HydrophobicContact CB-CE1 4.43Å; W664-Y695 AromaticContact CE2-CE2 3.77Å; W664-Y695 AromaticContact CZ2-CD2 3.77Å; W664-Y695 HydrophobicContact CZ2-CD2 3.77Å; W664-Y695 AromaticContact CZ2-CE2 3.49Å; W664-Y695 HydrophobicContact CZ2-CE2 3.49Å; W664-Y695 VanDerWaalsContact CZ2-CE2 3.49Å; W664-Y695 AromaticContact NE1-CD2 3.86Å; W664-Y695 AromaticContact NE1-CE1 3.69Å; W664-Y695 AromaticContact NE1-CE2 3.48Å; W664-Y695 AromaticContact NE1-CZ 3.38Å; Y691-Y695 HydrophobicContact CD1-CD2 4.04Å; Y691-Y695 AromaticContact CD1-CE2 3.9Å; Y691-Y695 HydrophobicContact CD1-CE2 3.9Å; Y691-Y695 HydrophobicContact CE1-CE2 4.11Å; Y691-Y695 PolarHBondContact O-N 2.93Å; F693-Y695 VanDerWaalsContact C-N 3.27Å; F693-Y695 PolarHBondContact O-N 3.5Å; Y695-F699 WeakPolarHBondContact O-CB 3.25Å; Y695-F699 PolarHBondContact O-N 3.28Å
696	G	92.3	Very high	89.6	Confident	28 Å²	28	44.5 Å²	44.5	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-79.9	-43.3	-176.6	0	0	0	0	0	114	C692 F693 F699 V700	C692-G696 WeakPolarHBondContact O-CA 3.23Å; C692-G696 PolarHBondContact O-N 3.46Å; F693-G696 PolarHBondContact O-N 3.28Å; G696-F699 WeakPolarHBondContact O-CB 3.31Å; G696-F699 PolarHBondContact O-N 3.06Å; G696-V700 WeakPolarHBondContact O-CG2 3.38Å; G696-V700 PolarHBondContact O-N 2.86Å; G696-V700 VanDerWaalsContact O-N 3.12Å
697	A	89.5	Confident	90.3	Very high	16 Å²	16	49.4 Å²	49.4	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-47.6	177.6	0	0	0	0	0	112.3	F693 F699 V700 V701	F693-A697 PolarHBondContact O-N 2.9Å; A697-F699 VanDerWaalsContact C-N 3.3Å; A697-F699 PolarHBondContact O-N 3.35Å; A697-V700 PolarHBondContact O-N 3.03Å; A697-V701 WeakPolarHBondContact O-CG2 3.47Å; A697-V701 PolarHBondContact O-N 2.9Å
698	P	95	Very high	90.9	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-56.4	-39.6	171.5	-24.8	32.6	0	0	0	114	Y656 L659 A660 A663 V700 V701 V702	Y656-P698 HydrophobicContact CD2-CB 3.95Å; Y656-P698 HydrophobicContact CE2-CB 3.82Å; L659-P698 HydrophobicContact CB-CB 3.81Å; L659-P698 HydrophobicContact CB-CG 4.26Å; A660-P698 HydrophobicContact CB-CB 4.35Å; A660-P698 HydrophobicContact CB-CG 4.02Å; A663-P698 HydrophobicContact CB-CG 4.03Å; P698-V700 VanDerWaalsContact C-N 3.32Å; P698-V700 PolarHBondContact O-N 3.41Å; P698-V701 PolarHBondContact O-N 3.36Å; P698-V702 WeakPolarHBondContact O-CG2 3.18Å; P698-V702 PolarHBondContact O-N 2.83Å; P698-V702 VanDerWaalsContact O-N 3.09Å
699	F	95.3	Very high	90.9	Very high	126 Å²	126	44.9 Å²	44.9	55%	0.553	24%	0.243	S	C	*	.	H	α-helix	trans	-63.3	-40.4	-178.6	176.7	-99.5	0	0	0	111.5	Y656 Y695 G696 A697 S703	Y656-F699 HydrophobicContact CE2-CB 3.85Å; Y695-F699 WeakPolarHBondContact O-CB 3.25Å; Y695-F699 PolarHBondContact O-N 3.28Å; G696-F699 WeakPolarHBondContact O-CB 3.31Å; G696-F699 PolarHBondContact O-N 3.06Å; A697-F699 VanDerWaalsContact C-N 3.3Å; A697-F699 PolarHBondContact O-N 3.35Å; F699-S703 VanDerWaalsContact O-CB 3.27Å; F699-S703 WeakPolarHBondContact O-CB 3.48Å; F699-S703 PolarHBondContact O-N 2.88Å; F699-S703 PolarHBondContact O-OG 3.49Å
700	V	93.3	Very high	91.2	Very high	37 Å²	37	53.2 Å²	53.2	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-45.4	177.8	174.1	0	0	0	0	111.3	L17 L20 G696 A697 P698 V702 S703 V704	L17-V700 HydrophobicContact CD2-CG1 4.3Å; L20-V700 HydrophobicContact CD1-CG1 4.09Å; L20-V700 HydrophobicContact CD2-CB 4.38Å; L20-V700 HydrophobicContact CD2-CG1 4.08Å; L20-V700 HydrophobicContact CD2-CG2 3.9Å; G696-V700 WeakPolarHBondContact O-CG2 3.38Å; G696-V700 PolarHBondContact O-N 2.86Å; G696-V700 VanDerWaalsContact O-N 3.12Å; A697-V700 PolarHBondContact O-N 3.03Å; P698-V700 VanDerWaalsContact C-N 3.32Å; P698-V700 PolarHBondContact O-N 3.41Å; V700-V702 PolarHBondContact O-N 2.69Å; V700-S703 PolarHBondContact O-N 3.33Å; V700-V704 HydrophobicContact CG1-CG2 4.38Å; V700-V704 WeakPolarHBondContact O-CG2 3.34Å; V700-V704 PolarHBondContact O-N 3.44Å
701	V	92.7	Very high	91	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-54.9	-51.9	176.1	178.7	0	0	0	0	111.1	L17 L659 A697 P698 S703 V704 S705 S730 P734	L17-V701 HydrophobicContact CD1-CG1 4.42Å; L17-V701 HydrophobicContact CD1-CG2 3.84Å; L17-V701 HydrophobicContact CD2-CB 4.34Å; L17-V701 HydrophobicContact CD2-CG2 3.5Å; L17-V701 HydrophobicContact CG-CG2 4.31Å; L659-V701 HydrophobicContact CD1-CB 3.86Å; L659-V701 HydrophobicContact CD1-CG1 3.56Å; L659-V701 HydrophobicContact CD1-CG2 4.34Å; A697-V701 WeakPolarHBondContact O-CG2 3.47Å; A697-V701 PolarHBondContact O-N 2.9Å; P698-V701 PolarHBondContact O-N 3.36Å; V701-S703 PolarHBondContact O-N 2.99Å; V701-V704 PolarHBondContact O-N 2.72Å; V701-S705 WeakPolarHBondContact O-CB 3.31Å; V701-S705 PolarHBondContact O-N 3.14Å; V701-S705 PolarHBondContact O-OG 3.03Å; V701-S730 WeakPolarHBondContact CG1-O 3.18Å; V701-P734 HydrophobicContact CG1-CG 4.28Å; V701-P734 HydrophobicContact CG2-CG 4.41Å
702	V	94.8	Very high	90.9	Very high	8 Å²	8	53.6 Å²	53.6	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-40	-177.3	174.9	0	0	0	0	111.4	V652 H655 Y656 L659 P698 V700 S705 L706 Y713	V652-V702 HydrophobicContact CG1-CG1 3.93Å; H655-V702 HydrophobicContact CB-CG2 4.31Å; Y656-V702 HydrophobicContact CD2-CG2 4.36Å; L659-V702 HydrophobicContact CD1-CG2 4.35Å; P698-V702 WeakPolarHBondContact O-CG2 3.18Å; P698-V702 PolarHBondContact O-N 2.83Å; P698-V702 VanDerWaalsContact O-N 3.09Å; V700-V702 PolarHBondContact O-N 2.69Å; V702-S705 PolarHBondContact O-N 2.81Å; V702-L706 HydrophobicContact CG1-CD1 4.1Å; V702-L706 WeakPolarHBondContact O-CB 3.36Å; V702-L706 WeakPolarHBondContact O-CG 3.27Å; V702-L706 PolarHBondContact O-N 2.96Å; V702-Y713 PolarHBondContact O-OH 2.94Å
703	S	93.5	Very high	90.9	Very high	35 Å²	35	50.6 Å²	50.6	25%	0.245	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-45.9	177.8	-60.8	0	0	0	0	112.4	F699 V700 V701 S705 L706 I707	F699-S703 VanDerWaalsContact O-CB 3.27Å; F699-S703 WeakPolarHBondContact O-CB 3.48Å; F699-S703 PolarHBondContact O-N 2.88Å; F699-S703 PolarHBondContact O-OG 3.49Å; V700-S703 PolarHBondContact O-N 3.33Å; V701-S703 PolarHBondContact O-N 2.99Å; S703-S705 VanDerWaalsContact C-N 3.32Å; S703-S705 PolarHBondContact O-N 2.92Å; S703-L706 PolarHBondContact O-N 3.34Å; S703-I707 VanDerWaalsContact O-CG1 3.32Å; S703-I707 WeakPolarHBondContact O-CG1 3.11Å; S703-I707 PolarHBondContact O-N 2.89Å; S703-I707 VanDerWaalsContact O-N 3.08Å
704	V	92.2	Very high	90.6	Very high	35 Å²	35	49.5 Å²	49.5	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-42.8	175.1	171	0	0	0	0	110.6	V13 V700 V701 L706 I707 I708	V13-V704 HydrophobicContact CG2-CG1 4.37Å; V700-V704 HydrophobicContact CG1-CG2 4.38Å; V700-V704 WeakPolarHBondContact O-CG2 3.34Å; V700-V704 PolarHBondContact O-N 3.44Å; V701-V704 PolarHBondContact O-N 2.72Å; V704-L706 VanDerWaalsContact C-N 3.35Å; V704-L706 PolarHBondContact O-N 3.43Å; V704-I707 PolarHBondContact O-N 3.16Å; V704-I708 HydrophobicContact CG1-CD1 3.71Å; V704-I708 HydrophobicContact CG1-CG1 4.5Å; V704-I708 WeakPolarHBondContact O-CG1 3.28Å; V704-I708 PolarHBondContact O-N 3.47Å
705	S	91.8	Very high	90.1	Very high	5 Å²	5	51 Å²	51	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-38	178.6	-55.1	0	0	0	0	112.5	V701 V702 S703 G709 Y713 S730	V701-S705 WeakPolarHBondContact O-CB 3.31Å; V701-S705 PolarHBondContact O-N 3.14Å; V701-S705 PolarHBondContact O-OG 3.03Å; V702-S705 PolarHBondContact O-N 2.81Å; S703-S705 VanDerWaalsContact C-N 3.32Å; S703-S705 PolarHBondContact O-N 2.92Å; S705-G709 PolarHBondContact O-N 3.3Å; S705-Y713 WeakPolarHBondContact CB-OH 3.48Å; S705-S730 WeakPolarHBondContact OG-CB 3.48Å
706	L	91.9	Very high	89.3	Confident	62 Å²	62	56.8 Å²	56.8	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-41.5	173.8	-83.8	164.6	0	0	0	112.8	V652 V702 S703 V704 I708 W710 Y713	V652-L706 HydrophobicContact CG1-CD1 4.17Å; V652-L706 HydrophobicContact CG2-CD1 4.17Å; V652-L706 HydrophobicContact CG2-CD2 3.75Å; V652-L706 HydrophobicContact CG2-CG 4.24Å; V702-L706 HydrophobicContact CG1-CD1 4.1Å; V702-L706 WeakPolarHBondContact O-CB 3.36Å; V702-L706 WeakPolarHBondContact O-CG 3.27Å; V702-L706 PolarHBondContact O-N 2.96Å; S703-L706 PolarHBondContact O-N 3.34Å; V704-L706 VanDerWaalsContact C-N 3.35Å; V704-L706 PolarHBondContact O-N 3.43Å; L706-I708 VanDerWaalsContact C-N 3.35Å; L706-W710 PolarHBondContact O-N 3.25Å; L706-W710 VanDerWaalsContact O-N 3.13Å; L706-Y713 HydrophobicContact CB-CE2 4.39Å; L706-Y713 HydrophobicContact CD2-CD2 3.72Å; L706-Y713 HydrophobicContact CD2-CE2 3.52Å; L706-Y713 HydrophobicContact CG-CD2 4.34Å; L706-Y713 HydrophobicContact CG-CE2 3.63Å
707	I	90.7	Very high	88.4	Confident	147 Å²	147	61.1 Å²	61.1	75%	0.754	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-39.5	178	-67.8	163.2	0	0	0	111.2	S703 V704	S703-I707 VanDerWaalsContact O-CG1 3.32Å; S703-I707 WeakPolarHBondContact O-CG1 3.11Å; S703-I707 PolarHBondContact O-N 2.89Å; S703-I707 VanDerWaalsContact O-N 3.08Å; V704-I707 PolarHBondContact O-N 3.16Å
708	I	87.7	Confident	88.2	Confident	106 Å²	106	64.2 Å²	64.2	54%	0.544	33%	0.326	S	S	.	.	H	α-helix	trans	-74.6	-39.2	-179.1	-66.2	168.7	0	0	0	111.9	V13 V704 L706	V13-I708 HydrophobicContact CG2-CD1 3.71Å; V704-I708 HydrophobicContact CG1-CD1 3.71Å; V704-I708 HydrophobicContact CG1-CG1 4.5Å; V704-I708 WeakPolarHBondContact O-CG1 3.28Å; V704-I708 PolarHBondContact O-N 3.47Å; L706-I708 VanDerWaalsContact C-N 3.35Å
709	G	81.7	Confident	88.1	Confident	8 Å²	8	64 Å²	64	8%	0.082	33%	0.325	C	S	.	.	H	α-helix	trans	-156.7	55.4	-165.2	0	0	0	0	0	114.9	S705 S711 S712	S705-G709 PolarHBondContact O-N 3.3Å; G709-S711 PolarHBondContact O-N 3.29Å; G709-S711 VanDerWaalsContact O-N 3.17Å; G709-S712 VanDerWaalsContact O-CB 3.32Å; G709-S712 WeakPolarHBondContact O-CB 3.28Å; G709-S712 PolarHBondContact O-N 3.15Å
710	W	87.3	Confident	87.9	Confident	208 Å²	208	60.2 Å²	60.2	79%	0.788	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-50.1	-37	174.5	74.7	-51.5	0	0	0	114.2	L706 S712 Y713	L706-W710 PolarHBondContact O-N 3.25Å; L706-W710 VanDerWaalsContact O-N 3.13Å; W710-S712 PolarHBondContact O-N 3Å; W710-Y713 PolarHBondContact O-N 3.31Å
711	S	85.4	Confident	87.6	Confident	99 Å²	99	58.5 Å²	58.5	69%	0.692	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-70.7	-8.9	177.4	57.3	0	0	0	0	114.7	G709	G709-S711 PolarHBondContact O-N 3.29Å; G709-S711 VanDerWaalsContact O-N 3.17Å
712	S	87.2	Confident	86.9	Confident	23 Å²	23	59.4 Å²	59.4	16%	0.161	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-94.6	1.3	178.9	-52.3	0	0	0	0	113	G709 W710 N722	G709-S712 VanDerWaalsContact O-CB 3.32Å; G709-S712 WeakPolarHBondContact O-CB 3.28Å; G709-S712 PolarHBondContact O-N 3.15Å; W710-S712 PolarHBondContact O-N 3Å; S712-N722 PolarHBondContact O-N 3.31Å
713	Y	89.6	Confident	85.8	Confident	13 Å²	13	63 Å²	63	5%	0.051	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-90.7	112.4	170	-78.6	-84.4	0	0	0	110.2	A651 V652 H655 V702 S705 L706 W710 L721 F727	A651-Y713 HydrophobicContact CB-CD1 3.86Å; V652-Y713 HydrophobicContact CB-CD1 4.43Å; V652-Y713 HydrophobicContact CB-CE1 4.35Å; V652-Y713 HydrophobicContact CG2-CD1 3.56Å; V652-Y713 HydrophobicContact CG2-CD2 4.23Å; V652-Y713 HydrophobicContact CG2-CE1 3.64Å; V652-Y713 HydrophobicContact CG2-CE2 4.27Å; V652-Y713 HydrophobicContact CG2-CG 3.85Å; H655-Y713 HydrophobicContact CB-CE1 4.21Å; H655-Y713 AromaticContact ND1-CE1 3.62Å; H655-Y713 AromaticContact ND1-CZ 3.72Å; H655-Y713 PolarHBondContact ND1-OH 2.99Å; V702-Y713 PolarHBondContact O-OH 2.94Å; S705-Y713 WeakPolarHBondContact CB-OH 3.48Å; L706-Y713 HydrophobicContact CB-CE2 4.39Å; L706-Y713 HydrophobicContact CD2-CD2 3.72Å; L706-Y713 HydrophobicContact CD2-CE2 3.52Å; L706-Y713 HydrophobicContact CG-CD2 4.34Å; L706-Y713 HydrophobicContact CG-CE2 3.63Å; W710-Y713 PolarHBondContact O-N 3.31Å; Y713-L721 HydrophobicContact CE1-CG 4.39Å; Y713-F727 HydrophobicContact CD2-CE1 4.09Å; Y713-F727 AromaticContact CD2-CZ 3.9Å; Y713-F727 HydrophobicContact CD2-CZ 3.9Å; Y713-F727 HydrophobicContact CE2-CE1 4.05Å; Y713-F727 AromaticContact CE2-CZ 3.58Å; Y713-F727 HydrophobicContact CE2-CZ 3.58Å; Y713-F727 HydrophobicContact CG-CE1 4.41Å
714	G	85	Confident	84.3	Confident	15 Å²	15	67.3 Å²	67.3	16%	0.155	34%	0.339	C	S	.	.			trans	105.4	149.6	-173.5	0	0	0	0	0	112.3	W720	G714-W720 CarbonylContact C-O 3.56Å; G714-W720 WeakPolarHBondContact CA-O 3.41Å; G714-W720 PolarHBondContact N-O 2.83Å
715	T	80.9	Confident	83.1	Confident	31 Å²	31	72.6 Å²	72.6	19%	0.19	37%	0.366	C	S	.	.			trans	-131.8	168.2	170.3	75.5	0	0	0	0	109.2	Q717 Y718 N722	T715-Q717 PolarHBondContact O-N 3.3Å; T715-Q717 PolarHBondContact OG1-N 3.36Å; T715-Y718 HydrophobicContact CG2-CD2 4.4Å; T715-Y718 HydrophobicContact CG2-CE2 3.9Å; T715-Y718 PolarHBondContact N-O 3.19Å; T715-Y718 PolarHBondContact OG1-N 3.38Å; T715-Y718 PolarHBondContact OG1-O 3.45Å; T715-N722 HydrophobicContact CG2-CB 4.34Å
716	E	78.3	Confident	82.2	Confident	173 Å²	173	80 Å²	80	81%	0.808	39%	0.394	S	S	*	.	S	Bend	trans	-67.3	-20.7	178	-58.8	-170.7	155	0	0	113.2
717	Q	73.5	Confident	81.9	Confident	120 Å²	120	78.1 Å²	78.1	56%	0.561	38%	0.384	S	S	*	.	S	Bend	trans	-103.8	-27.7	-176.4	-65.2	-176.3	5.4	0	0	114	T715	T715-Q717 PolarHBondContact O-N 3.3Å; T715-Q717 PolarHBondContact OG1-N 3.36Å
718	Y	85.7	Confident	81.5	Confident	80 Å²	80	72.2 Å²	72.2	31%	0.314	36%	0.355	S	S	.	.	S	Bend	trans	-161.4	153.5	-177.9	51.6	-96	0	0	0	112.6	I638 T715 W720	I638-Y718 WeakPolarHBondContact O-CA 3.09Å; T715-Y718 HydrophobicContact CG2-CD2 4.4Å; T715-Y718 HydrophobicContact CG2-CE2 3.9Å; T715-Y718 PolarHBondContact N-O 3.19Å; T715-Y718 PolarHBondContact OG1-N 3.38Å; T715-Y718 PolarHBondContact OG1-O 3.45Å; Y718-W720 HydrophobicContact CD2-CB 3.65Å; Y718-W720 HydrophobicContact CE2-CB 3.89Å; Y718-W720 PolarHBondContact O-N 3.36Å; Y718-W720 VanDerWaalsContact O-N 3.1Å
719	C	91.8	Very high	81.4	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-89.6	74.8	-174	-59.7	0	0	0	0	113.2	I638 Q640 C647 V650	I638-C719 PolarHBondContact O-N 2.91Å; Q640-C719 PolarHBondContact O-SG 2.91Å; Q640-C719 VanDerWaalsContact O-SG 3.39Å; C647-C719 WeakPolarHBondContact CA-SG 3.35Å; C647-C719 HydrophobicContact CB-CB 4.04Å; C647-C719 WeakPolarHBondContact CB-SG 3.5Å; C647-C719 WeakPolarHBondContact SG-CA 3.15Å; C647-C719 WeakPolarHBondContact SG-CB 3.29Å; C647-C719 CovalentContact SG-SG 2.05Å; C647-C719 PolarHBondContact SG-SG 3.48Å; V650-C719 HydrophobicContact CB-CB 3.98Å; V650-C719 HydrophobicContact CG1-CB 3.78Å
720	W	91.4	Very high	81.7	Confident	47 Å²	47	73 Å²	73	18%	0.178	35%	0.354	C	S	.	.	S	Bend	trans	-140.5	179.8	178	-172.8	-119	0	0	0	110.9	L654 F658 G714 Y718 F731	L654-W720 HydrophobicContact CB-CE3 3.84Å; L654-W720 HydrophobicContact CB-CZ3 3.47Å; L654-W720 VanDerWaalsContact CB-CZ3 3.47Å; L654-W720 HydrophobicContact CD1-CE3 4.21Å; F658-W720 AromaticContact CD2-CH2 3.85Å; F658-W720 HydrophobicContact CD2-CH2 3.85Å; F658-W720 HydrophobicContact CD2-CZ3 4.03Å; F658-W720 HydrophobicContact CE2-CH2 4.35Å; F658-W720 HydrophobicContact CE2-CZ3 4.29Å; G714-W720 CarbonylContact C-O 3.56Å; G714-W720 WeakPolarHBondContact CA-O 3.41Å; G714-W720 PolarHBondContact N-O 2.83Å; Y718-W720 HydrophobicContact CD2-CB 3.65Å; Y718-W720 HydrophobicContact CE2-CB 3.89Å; Y718-W720 PolarHBondContact O-N 3.36Å; Y718-W720 VanDerWaalsContact O-N 3.1Å; W720-F731 HydrophobicContact CH2-CD1 4.44Å; W720-F731 HydrophobicContact CH2-CD2 4.43Å; W720-F731 HydrophobicContact CH2-CE1 4.45Å; W720-F731 HydrophobicContact CH2-CE2 4.43Å; W720-F731 HydrophobicContact CH2-CG 4.43Å; W720-F731 HydrophobicContact CH2-CZ 4.43Å; W720-F731 AromaticContact CZ2-CD1 3.92Å; W720-F731 HydrophobicContact CZ2-CD1 3.92Å; W720-F731 HydrophobicContact CZ2-CE1 4.06Å; W720-F731 HydrophobicContact CZ2-CG 4.23Å; W720-F731 HydrophobicContact CZ2-CZ 4.48Å
721	L	87	Confident	81.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-63.9	135.4	175.4	-67	81.5	0	0	0	110.7	H655 Y713 F727 S730 F731	H655-L721 HydrophobicContact CB-CD1 4Å; Y713-L721 HydrophobicContact CE1-CG 4.39Å; L721-F727 HydrophobicContact CB-CD1 4.08Å; L721-F727 HydrophobicContact CB-CE1 4.31Å; L721-F727 HydrophobicContact CD2-CD1 4.03Å; L721-F727 HydrophobicContact CD2-CE1 3.9Å; L721-F727 HydrophobicContact CG-CD1 4.27Å; L721-F727 HydrophobicContact CG-CE1 4.06Å; L721-S730 VanDerWaalsContact CD2-OG 3.26Å; L721-S730 WeakPolarHBondContact CD2-OG 3.47Å; L721-F731 HydrophobicContact CD2-CB 4.3Å
722	N	78.8	Confident	81.9	Confident	33 Å²	33	60.3 Å²	60.3	18%	0.176	29%	0.294	C	S	.	.			trans	-65.3	136.7	171.5	-170.5	-5	0	0	0	110.3	S712 T715 E724	S712-N722 PolarHBondContact O-N 3.31Å; T715-N722 HydrophobicContact CG2-CB 4.34Å; N722-E724 PolarHBondContact ND2-OE2 3.2Å; N722-E724 WeakPolarHBondContact OD1-CB 3.38Å; N722-E724 WeakPolarHBondContact OD1-CG 3.43Å; N722-E724 PolarHBondContact OD1-N 3.04Å
723	T	70.9	Confident	81.9	Confident	83 Å²	83	60.4 Å²	60.4	51%	0.509	30%	0.299	S	S	.	.			trans	-81.2	-19.2	175.7	47.4	0	0	0	0	113.3	V728	T723-V728 HydrophobicContact CG2-CB 4.43Å
724	E	62.1	Low	82	Confident	126 Å²	126	60.9 Å²	60.9	59%	0.589	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.5	148	174.5	-61.7	175.4	148.4	0	0	111.2	N722 Y726	N722-E724 PolarHBondContact ND2-OE2 3.2Å; N722-E724 WeakPolarHBondContact OD1-CB 3.38Å; N722-E724 WeakPolarHBondContact OD1-CG 3.43Å; N722-E724 PolarHBondContact OD1-N 3.04Å; E724-Y726 PolarHBondContact O-N 2.91Å
725	N	66.4	Low	82.1	Confident	145 Å²	145	60.4 Å²	60.4	78%	0.775	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	57.3	29.8	-179.9	-52	-60.9	0	0	0	115.2	F727	N725-F727 PolarHBondContact O-N 3.23Å
726	Y	73.7	Confident	82.3	Confident	161 Å²	161	62.7 Å²	62.7	63%	0.631	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	61.5	10.5	176	-58.7	-90.9	0	0	0	115.3	E724 V728 F729	E724-Y726 PolarHBondContact O-N 2.91Å; Y726-V728 PolarHBondContact O-N 3.4Å; Y726-V728 VanDerWaalsContact O-N 3.09Å; Y726-F729 HydrophobicContact CD1-CD2 4.02Å; Y726-F729 AromaticContact CD1-CE2 3.78Å; Y726-F729 HydrophobicContact CD1-CE2 3.78Å; Y726-F729 WeakPolarHBondContact O-CB 3.5Å; Y726-F729 PolarHBondContact O-N 2.88Å
727	F	84.4	Confident	82.8	Confident	22 Å²	22	58 Å²	58	10%	0.096	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.9	-174.4	-173.6	-108.3	0	0	0	113.5	Y713 L721 N725 F729 S730	Y713-F727 HydrophobicContact CD2-CE1 4.09Å; Y713-F727 AromaticContact CD2-CZ 3.9Å; Y713-F727 HydrophobicContact CD2-CZ 3.9Å; Y713-F727 HydrophobicContact CE2-CE1 4.05Å; Y713-F727 AromaticContact CE2-CZ 3.58Å; Y713-F727 HydrophobicContact CE2-CZ 3.58Å; Y713-F727 HydrophobicContact CG-CE1 4.41Å; L721-F727 HydrophobicContact CB-CD1 4.08Å; L721-F727 HydrophobicContact CB-CE1 4.31Å; L721-F727 HydrophobicContact CD2-CD1 4.03Å; L721-F727 HydrophobicContact CD2-CE1 3.9Å; L721-F727 HydrophobicContact CG-CD1 4.27Å; L721-F727 HydrophobicContact CG-CE1 4.06Å; N725-F727 PolarHBondContact O-N 3.23Å; F727-F729 PolarHBondContact O-N 2.97Å; F727-F729 VanDerWaalsContact O-N 3.14Å; F727-S730 WeakPolarHBondContact O-CB 3.31Å; F727-S730 PolarHBondContact O-N 3.35Å; F727-S730 PolarHBondContact O-OG 2.93Å
728	V	83.2	Confident	83.5	Confident	24 Å²	24	52.8 Å²	52.8	15%	0.145	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.3	172.7	71.7	0	0	0	0	114.5	T723 Y726 S730 F731 V732	T723-V728 HydrophobicContact CG2-CB 4.43Å; Y726-V728 PolarHBondContact O-N 3.4Å; Y726-V728 VanDerWaalsContact O-N 3.09Å; V728-S730 PolarHBondContact O-N 3.41Å; V728-F731 PolarHBondContact O-N 2.06Å; V728-F731 VanDerWaalsContact O-N 3.1Å; V728-V732 HydrophobicContact CG2-CG2 4.07Å; V728-V732 PolarHBondContact O-N 2.86Å
729	F	85.9	Confident	83.4	Confident	114 Å²	114	50.1 Å²	50.1	50%	0.5	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-20.6	174.7	-84.6	-92.5	0	0	0	113.5	Y726 F727 F731 G733	Y726-F729 HydrophobicContact CD1-CD2 4.02Å; Y726-F729 AromaticContact CD1-CE2 3.78Å; Y726-F729 HydrophobicContact CD1-CE2 3.78Å; Y726-F729 WeakPolarHBondContact O-CB 3.5Å; Y726-F729 PolarHBondContact O-N 2.88Å; F727-F729 PolarHBondContact O-N 2.97Å; F727-F729 VanDerWaalsContact O-N 3.14Å; F729-F731 PolarHBondContact O-N 3.3Å; F729-G733 PolarHBondContact O-N 3.11Å
730	S	88.4	Confident	83.1	Confident	17 Å²	17	52.7 Å²	52.7	12%	0.119	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-30	170.6	60.6	0	0	0	0	113	V701 S705 L721 F727 V728 P734	V701-S730 WeakPolarHBondContact CG1-O 3.18Å; S705-S730 WeakPolarHBondContact OG-CB 3.48Å; L721-S730 VanDerWaalsContact CD2-OG 3.26Å; L721-S730 WeakPolarHBondContact CD2-OG 3.47Å; F727-S730 WeakPolarHBondContact O-CB 3.31Å; F727-S730 PolarHBondContact O-N 3.35Å; F727-S730 PolarHBondContact O-OG 2.93Å; V728-S730 PolarHBondContact O-N 3.41Å; S730-P734 WeakPolarHBondContact O-CD 3.28Å; S730-P734 WeakPolarHBondContact O-CG 3.14Å
731	F	89.9	Confident	82.9	Confident	10 Å²	10	52.1 Å²	52.1	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-93.7	-50	173	175.8	-109.3	0	0	0	112.1	H655 F658 L659 F662 W720 L721 V728 F729 G733 P734 V735 W793	H655-F731 AromaticContact CD2-CD2 3.82Å; F658-F731 HydrophobicContact CB-CE2 3.68Å; F658-F731 HydrophobicContact CB-CZ 4.06Å; L659-F731 HydrophobicContact CD2-CD2 3.73Å; L659-F731 HydrophobicContact CD2-CE2 4.02Å; L659-F731 HydrophobicContact CG-CD2 3.91Å; L659-F731 HydrophobicContact CG-CE2 4.25Å; F662-F731 HydrophobicContact CE2-CE2 4.4Å; F662-F731 HydrophobicContact CE2-CZ 4.1Å; W720-F731 HydrophobicContact CH2-CD1 4.44Å; W720-F731 HydrophobicContact CH2-CD2 4.43Å; W720-F731 HydrophobicContact CH2-CE1 4.45Å; W720-F731 HydrophobicContact CH2-CE2 4.43Å; W720-F731 HydrophobicContact CH2-CG 4.43Å; W720-F731 HydrophobicContact CH2-CZ 4.43Å; W720-F731 AromaticContact CZ2-CD1 3.92Å; W720-F731 HydrophobicContact CZ2-CD1 3.92Å; W720-F731 HydrophobicContact CZ2-CE1 4.06Å; W720-F731 HydrophobicContact CZ2-CG 4.23Å; W720-F731 HydrophobicContact CZ2-CZ 4.48Å; L721-F731 HydrophobicContact CD2-CB 4.3Å; V728-F731 PolarHBondContact O-N 2.06Å; V728-F731 VanDerWaalsContact O-N 3.1Å; F729-F731 PolarHBondContact O-N 3.3Å; F731-G733 PolarHBondContact O-N 3.25Å; F731-P734 WeakPolarHBondContact O-CD 3.24Å; F731-V735 HydrophobicContact CD2-CG2 4.3Å; F731-V735 HydrophobicContact CE1-CG2 4.17Å; F731-V735 HydrophobicContact CE2-CG2 3.9Å; F731-V735 HydrophobicContact CZ-CG2 3.84Å; F731-V735 VanDerWaalsContact O-CG2 3.32Å; F731-V735 WeakPolarHBondContact O-CG2 3.4Å; F731-V735 PolarHBondContact O-N 2.86Å; F731-W793 HydrophobicContact CE1-CE3 4.33Å; F731-W793 HydrophobicContact CE1-CH2 4.25Å; F731-W793 AromaticContact CE1-CZ3 3.65Å; F731-W793 HydrophobicContact CE1-CZ3 3.65Å; F731-W793 HydrophobicContact CZ-CE3 4.45Å; F731-W793 AromaticContact CZ-CH2 3.86Å; F731-W793 HydrophobicContact CZ-CH2 3.86Å; F731-W793 AromaticContact CZ-CZ3 3.7Å; F731-W793 HydrophobicContact CZ-CZ3 3.7Å
732	V	86.2	Confident	82.7	Confident	29 Å²	29	52.1 Å²	52.1	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-36.2	-172.1	174.7	0	0	0	0	112.6	V728 V735 I736 I797	V728-V732 HydrophobicContact CG2-CG2 4.07Å; V728-V732 PolarHBondContact O-N 2.86Å; V732-V735 PolarHBondContact O-N 3.46Å; V732-I736 HydrophobicContact CG1-CD1 3.76Å; V732-I736 HydrophobicContact CG1-CG1 4.33Å; V732-I736 WeakPolarHBondContact O-CG1 3.44Å; V732-I736 PolarHBondContact O-N 2.69Å; V732-I797 HydrophobicContact CG1-CG1 4.26Å
733	G	87.7	Confident	82.9	Confident	25 Å²	25	57.3 Å²	57.3	26%	0.258	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-59	178.5	0	0	0	0	0	112.8	F729 F731 V735 I736 V737	F729-G733 PolarHBondContact O-N 3.11Å; F731-G733 PolarHBondContact O-N 3.25Å; G733-V735 VanDerWaalsContact C-N 3.27Å; G733-V735 PolarHBondContact O-N 3.37Å; G733-I736 PolarHBondContact O-N 2.77Å; G733-I736 VanDerWaalsContact O-N 3.16Å; G733-V737 PolarHBondContact O-N 3.48Å; G733-V737 VanDerWaalsContact O-N 3.17Å
734	P	90.1	Very high	83.7	Confident	24 Å²	24	57.1 Å²	57.1	16%	0.156	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-38.6	174.6	-29.4	36.2	0	0	0	114	L17 L659 V701 S730 F731 V737 V738	L17-P734 HydrophobicContact CD1-CG 4.36Å; L659-P734 HydrophobicContact CD2-CB 3.87Å; L659-P734 HydrophobicContact CD2-CG 4.48Å; V701-P734 HydrophobicContact CG1-CG 4.28Å; V701-P734 HydrophobicContact CG2-CG 4.41Å; S730-P734 WeakPolarHBondContact O-CD 3.28Å; S730-P734 WeakPolarHBondContact O-CG 3.14Å; F731-P734 WeakPolarHBondContact O-CD 3.24Å; P734-V737 PolarHBondContact O-N 3.19Å; P734-V738 WeakPolarHBondContact O-CG2 3.44Å; P734-V738 PolarHBondContact O-N 3.24Å
735	V	87.5	Confident	84.7	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-45.2	177	170.6	0	0	0	0	111.7	L659 F662 F731 V732 G733 V737 V738 L739 W793	L659-V735 HydrophobicContact CD2-CG2 4.3Å; F662-V735 HydrophobicContact CD1-CG1 4.46Å; F662-V735 HydrophobicContact CD2-CG2 3.64Å; F662-V735 HydrophobicContact CE1-CG1 3.77Å; F662-V735 HydrophobicContact CE1-CG2 4.34Å; F662-V735 HydrophobicContact CE2-CB 4.4Å; F662-V735 HydrophobicContact CE2-CG1 4.11Å; F662-V735 HydrophobicContact CE2-CG2 3.43Å; F662-V735 VanDerWaalsContact CE2-CG2 3.43Å; F662-V735 HydrophobicContact CG-CG2 4.19Å; F662-V735 HydrophobicContact CZ-CB 4.29Å; F662-V735 HydrophobicContact CZ-CG1 3.55Å; F662-V735 HydrophobicContact CZ-CG2 3.79Å; F731-V735 HydrophobicContact CD2-CG2 4.3Å; F731-V735 HydrophobicContact CE1-CG2 4.17Å; F731-V735 HydrophobicContact CE2-CG2 3.9Å; F731-V735 HydrophobicContact CZ-CG2 3.84Å; F731-V735 VanDerWaalsContact O-CG2 3.32Å; F731-V735 WeakPolarHBondContact O-CG2 3.4Å; F731-V735 PolarHBondContact O-N 2.86Å; V732-V735 PolarHBondContact O-N 3.46Å; G733-V735 VanDerWaalsContact C-N 3.27Å; G733-V735 PolarHBondContact O-N 3.37Å; V735-V737 VanDerWaalsContact C-N 3.33Å; V735-V737 PolarHBondContact O-N 3.31Å; V735-V738 PolarHBondContact O-N 2.99Å; V735-L739 HydrophobicContact CG1-CD1 3.86Å; V735-L739 HydrophobicContact CG1-CG 4.28Å; V735-L739 WeakPolarHBondContact O-CB 3.42Å; V735-L739 VanDerWaalsContact O-CG 3.28Å; V735-L739 WeakPolarHBondContact O-CG 3.24Å; V735-L739 PolarHBondContact O-N 3.05Å; V735-W793 HydrophobicContact CG1-CB 4.34Å
736	I	86	Confident	85.3	Confident	79 Å²	79	46.3 Å²	46.3	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-43.6	177.1	-69.8	167.2	0	0	0	111	V732 G733 L739 A740 I797	V732-I736 HydrophobicContact CG1-CD1 3.76Å; V732-I736 HydrophobicContact CG1-CG1 4.33Å; V732-I736 WeakPolarHBondContact O-CG1 3.44Å; V732-I736 PolarHBondContact O-N 2.69Å; G733-I736 PolarHBondContact O-N 2.77Å; G733-I736 VanDerWaalsContact O-N 3.16Å; I736-L739 PolarHBondContact O-N 3.01Å; I736-A740 WeakPolarHBondContact O-CB 3.48Å; I736-A740 PolarHBondContact O-N 3.11Å; I736-I797 HydrophobicContact CD1-CD1 4.1Å; I736-I797 HydrophobicContact CG1-CD1 3.7Å
737	V	88.6	Confident	85.7	Confident	76 Å²	76	45.3 Å²	45.3	46%	0.461	25%	0.25	S	S	.	.	H	α-helix	trans	-61.5	-47.2	177.8	175.8	0	0	0	0	111.1	G733 P734 V735 L739 A740 A741	G733-V737 PolarHBondContact O-N 3.48Å; G733-V737 VanDerWaalsContact O-N 3.17Å; P734-V737 PolarHBondContact O-N 3.19Å; V735-V737 VanDerWaalsContact C-N 3.33Å; V735-V737 PolarHBondContact O-N 3.31Å; V737-L739 PolarHBondContact O-N 3.46Å; V737-A740 PolarHBondContact O-N 3.12Å; V737-A741 WeakPolarHBondContact O-CB 3.08Å; V737-A741 PolarHBondContact O-N 2.76Å
738	V	87.8	Confident	85.7	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.055	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-44	177.7	166.4	0	0	0	0	112.1	F662 M665 L666 P734 V735 A741 N742	F662-V738 HydrophobicContact CB-CB 4.46Å; F662-V738 HydrophobicContact CB-CG1 4.04Å; F662-V738 HydrophobicContact CB-CG2 4.34Å; F662-V738 HydrophobicContact CD1-CB 4.46Å; F662-V738 HydrophobicContact CD1-CG1 3.89Å; F662-V738 HydrophobicContact CG-CG1 4.45Å; F662-V738 WeakPolarHBondContact O-CG1 3.01Å; M665-V738 HydrophobicContact SD-CG1 4.06Å; L666-V738 HydrophobicContact CB-CG1 4.15Å; L666-V738 HydrophobicContact CD2-CG2 4.28Å; P734-V738 WeakPolarHBondContact O-CG2 3.44Å; P734-V738 PolarHBondContact O-N 3.24Å; V735-V738 PolarHBondContact O-N 2.99Å; V738-A741 PolarHBondContact O-N 3.21Å; V738-N742 WeakPolarHBondContact O-CB 3.24Å; V738-N742 PolarHBondContact O-N 3.09Å; V738-N742 PolarHBondContact O-ND2 3.1Å
739	L	84.1	Confident	85.4	Confident	24 Å²	24	46.3 Å²	46.3	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-43.7	179	-71.1	176.4	0	0	0	111.7	F662 V735 I736 V737 N742 F743 L789 W793	F662-L739 HydrophobicContact CE1-CD2 4.29Å; F662-L739 HydrophobicContact CE1-CG 4.47Å; V735-L739 HydrophobicContact CG1-CD1 3.86Å; V735-L739 HydrophobicContact CG1-CG 4.28Å; V735-L739 WeakPolarHBondContact O-CB 3.42Å; V735-L739 VanDerWaalsContact O-CG 3.28Å; V735-L739 WeakPolarHBondContact O-CG 3.24Å; V735-L739 PolarHBondContact O-N 3.05Å; I736-L739 PolarHBondContact O-N 3.01Å; V737-L739 PolarHBondContact O-N 3.46Å; L739-N742 PolarHBondContact O-N 3.17Å; L739-F743 WeakPolarHBondContact O-CB 3.36Å; L739-F743 PolarHBondContact O-N 3.34Å; L739-L789 HydrophobicContact CD2-CD2 3.91Å; L739-W793 HydrophobicContact CD1-CB 3.94Å
740	A	85.2	Confident	85	Confident	55 Å²	55	44 Å²	44	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-46	176	0	0	0	0	0	111.8	I736 V737 F743 V744	I736-A740 WeakPolarHBondContact O-CB 3.48Å; I736-A740 PolarHBondContact O-N 3.11Å; V737-A740 PolarHBondContact O-N 3.12Å; A740-F743 PolarHBondContact O-N 3.4Å; A740-V744 WeakPolarHBondContact O-CG2 3.29Å; A740-V744 PolarHBondContact O-N 3.29Å
741	A	87	Confident	84.6	Confident	34 Å²	34	44.7 Å²	44.7	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-44.3	177.5	0	0	0	0	0	112	L666 V737 V738 F743 V744 L745	L666-A741 HydrophobicContact CD1-CB 3.68Å; V737-A741 WeakPolarHBondContact O-CB 3.08Å; V737-A741 PolarHBondContact O-N 2.76Å; V738-A741 PolarHBondContact O-N 3.21Å; A741-F743 PolarHBondContact O-N 2.85Å; A741-V744 PolarHBondContact O-N 3.19Å; A741-L745 WeakPolarHBondContact O-CB 3.34Å; A741-L745 VanDerWaalsContact O-CG 3.29Å; A741-L745 WeakPolarHBondContact O-CG 3.44Å; A741-L745 PolarHBondContact O-N 2.87Å
742	N	83.8	Confident	84.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-40.5	175.3	-86.1	-41.8	0	0	0	112.8	M665 L666 V738 L739 L745 L746 V786	M665-N742 PolarHBondContact O-OD1 3.27Å; L666-N742 WeakPolarHBondContact CA-OD1 3.31Å; V738-N742 WeakPolarHBondContact O-CB 3.24Å; V738-N742 PolarHBondContact O-N 3.09Å; V738-N742 PolarHBondContact O-ND2 3.1Å; L739-N742 PolarHBondContact O-N 3.17Å; N742-L745 PolarHBondContact O-N 3.12Å; N742-L746 WeakPolarHBondContact O-CB 3.14Å; N742-L746 WeakPolarHBondContact O-CG 3.43Å; N742-L746 PolarHBondContact O-N 3.36Å; N742-V786 HydrophobicContact CB-CG1 4.46Å
743	F	83	Confident	83.4	Confident	142 Å²	142	45.2 Å²	45.2	62%	0.623	26%	0.255	S	S	*	.	H	α-helix	trans	-60.8	-44.7	175.1	-176.2	-94.4	0	0	0	111.6	L739 A740 A741 L746 F747	L739-F743 WeakPolarHBondContact O-CB 3.36Å; L739-F743 PolarHBondContact O-N 3.34Å; A740-F743 PolarHBondContact O-N 3.4Å; A741-F743 PolarHBondContact O-N 2.85Å; F743-L746 PolarHBondContact O-N 3.49Å; F743-F747 WeakPolarHBondContact O-CB 3.42Å; F743-F747 PolarHBondContact O-N 3.28Å
744	V	86.3	Confident	82.7	Confident	78 Å²	78	47.2 Å²	47.2	47%	0.473	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-47.7	176.3	171.7	0	0	0	0	111.6	A740 A741 L746 F747 I748	A740-V744 WeakPolarHBondContact O-CG2 3.29Å; A740-V744 PolarHBondContact O-N 3.29Å; A741-V744 PolarHBondContact O-N 3.19Å; V744-L746 VanDerWaalsContact C-N 3.33Å; V744-L746 PolarHBondContact O-N 2.94Å; V744-F747 PolarHBondContact O-N 3.23Å; V744-I748 HydrophobicContact CG1-CD1 3.71Å; V744-I748 HydrophobicContact CG1-CG1 4.42Å; V744-I748 VanDerWaalsContact O-CG1 3.31Å; V744-I748 WeakPolarHBondContact O-CG1 3.38Å; V744-I748 PolarHBondContact O-N 2.99Å
745	L	84	Confident	82.1	Confident	30 Å²	30	55.7 Å²	55.7	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-40.4	178.7	-71.6	168.6	0	0	0	112.2	L666 F670 Y673 A741 N742 S749	L666-L745 HydrophobicContact CD1-CD1 3.95Å; F670-L745 HydrophobicContact CB-CD1 4.38Å; Y673-L745 HydrophobicContact CD1-CD2 4.26Å; Y673-L745 HydrophobicContact CG-CD2 4.03Å; A741-L745 WeakPolarHBondContact O-CB 3.34Å; A741-L745 VanDerWaalsContact O-CG 3.29Å; A741-L745 WeakPolarHBondContact O-CG 3.44Å; A741-L745 PolarHBondContact O-N 2.87Å; N742-L745 PolarHBondContact O-N 3.12Å; L745-S749 VanDerWaalsContact O-CB 3.29Å; L745-S749 WeakPolarHBondContact O-CB 3.31Å; L745-S749 PolarHBondContact O-N 3.12Å; L745-S749 PolarHBondContact O-OG 3Å
746	L	77.8	Confident	81.1	Confident	15 Å²	15	61 Å²	61	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-40.6	174	-76.2	-171.3	0	0	0	113	L672 N742 F743 V744 S749 M750 V786	L672-L746 HydrophobicContact CD2-CD2 3.67Å; N742-L746 WeakPolarHBondContact O-CB 3.14Å; N742-L746 WeakPolarHBondContact O-CG 3.43Å; N742-L746 PolarHBondContact O-N 3.36Å; F743-L746 PolarHBondContact O-N 3.49Å; V744-L746 VanDerWaalsContact C-N 3.33Å; V744-L746 PolarHBondContact O-N 2.94Å; L746-S749 WeakPolarHBondContact O-CB 3.33Å; L746-S749 PolarHBondContact O-N 3.18Å; L746-M750 WeakPolarHBondContact O-CB 3.06Å; L746-M750 VanDerWaalsContact O-CG 3.27Å; L746-M750 WeakPolarHBondContact O-CG 3.09Å; L746-M750 PolarHBondContact O-N 3.12Å; L746-V786 HydrophobicContact CD1-CB 3.45Å; L746-V786 VanDerWaalsContact CD1-CB 3.45Å; L746-V786 HydrophobicContact CD1-CG1 3.57Å; L746-V786 HydrophobicContact CD1-CG2 3.7Å
747	F	83.4	Confident	79.9	Confident	140 Å²	140	59.3 Å²	59.3	61%	0.614	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-45.2	177.6	-178.9	-96.6	0	0	0	111.2	F743 V744 M750 A751	F743-F747 WeakPolarHBondContact O-CB 3.42Å; F743-F747 PolarHBondContact O-N 3.28Å; V744-F747 PolarHBondContact O-N 3.23Å; F747-M750 PolarHBondContact O-N 3.47Å; F747-A751 WeakPolarHBondContact O-CB 3.38Å; F747-A751 PolarHBondContact O-N 2.82Å
748	I	83.6	Confident	78.3	Confident	65 Å²	65	58.9 Å²	58.9	33%	0.333	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-46.3	174.8	-65.8	167	0	0	0	110.4	Y673 V744 M750 A751 I752	Y673-I748 HydrophobicContact CD2-CG2 3.99Å; Y673-I748 HydrophobicContact CE2-CG2 3.66Å; V744-I748 HydrophobicContact CG1-CD1 3.71Å; V744-I748 HydrophobicContact CG1-CG1 4.42Å; V744-I748 VanDerWaalsContact O-CG1 3.31Å; V744-I748 WeakPolarHBondContact O-CG1 3.38Å; V744-I748 PolarHBondContact O-N 2.99Å; I748-M750 PolarHBondContact O-N 3.26Å; I748-A751 PolarHBondContact O-N 3.15Å; I748-I752 HydrophobicContact CG2-CD1 3.83Å; I748-I752 HydrophobicContact CG2-CG1 4.47Å; I748-I752 VanDerWaalsContact O-CG1 3.31Å; I748-I752 WeakPolarHBondContact O-CG1 3.18Å; I748-I752 PolarHBondContact O-N 3.35Å
749	S	77.4	Confident	76.6	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-55.5	-53.1	175.2	-62.8	0	0	0	0	111.1	L745 L746 A751 I752 I753	L745-S749 VanDerWaalsContact O-CB 3.29Å; L745-S749 WeakPolarHBondContact O-CB 3.31Å; L745-S749 PolarHBondContact O-N 3.12Å; L745-S749 PolarHBondContact O-OG 3Å; L746-S749 WeakPolarHBondContact O-CB 3.33Å; L746-S749 PolarHBondContact O-N 3.18Å; S749-A751 VanDerWaalsContact C-N 3.29Å; S749-A751 PolarHBondContact O-N 2.84Å; S749-I752 WeakPolarHBondContact O-CB 3.44Å; S749-I752 PolarHBondContact O-N 2.89Å; S749-I752 VanDerWaalsContact O-N 3.14Å; S749-I753 WeakPolarHBondContact O-CD1 3.23Å; S749-I753 PolarHBondContact O-N 3.41Å
750	M	76.4	Confident	74.9	Confident	66 Å²	66	69.1 Å²	69.1	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-55.2	-42.4	176	-76.3	-73.4	-165	0	0	112.4	L746 F747 I748 I753 A754 I779 F783	L746-M750 WeakPolarHBondContact O-CB 3.06Å; L746-M750 VanDerWaalsContact O-CG 3.27Å; L746-M750 WeakPolarHBondContact O-CG 3.09Å; L746-M750 PolarHBondContact O-N 3.12Å; F747-M750 PolarHBondContact O-N 3.47Å; I748-M750 PolarHBondContact O-N 3.26Å; M750-I753 PolarHBondContact O-N 3.29Å; M750-A754 WeakPolarHBondContact O-CB 3.36Å; M750-A754 PolarHBondContact O-N 3.34Å; M750-I779 HydrophobicContact CE-CG2 3.43Å; M750-I779 VanDerWaalsContact CE-CG2 3.43Å; M750-I779 HydrophobicContact CG-CG2 4.44Å; M750-I779 HydrophobicContact SD-CG2 3.43Å; M750-I779 WeakPolarHBondContact SD-CG2 3.34Å; M750-F783 HydrophobicContact CE-CB 3.66Å; M750-F783 HydrophobicContact CE-CD2 3.77Å; M750-F783 HydrophobicContact CE-CG 3.84Å
751	A	82	Confident	73	Confident	32 Å²	32	76 Å²	76	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-40.6	177.9	0	0	0	0	0	112.5	F747 I748 S749 A754 R755	F747-A751 WeakPolarHBondContact O-CB 3.38Å; F747-A751 PolarHBondContact O-N 2.82Å; I748-A751 PolarHBondContact O-N 3.15Å; S749-A751 VanDerWaalsContact C-N 3.29Å; S749-A751 PolarHBondContact O-N 2.84Å; A751-A754 PolarHBondContact O-N 3.08Å; A751-R755 WeakPolarHBondContact O-CB 3.4Å; A751-R755 VanDerWaalsContact O-CG 3.23Å; A751-R755 WeakPolarHBondContact O-CG 3.49Å; A751-R755 PolarHBondContact O-N 3.49Å
752	I	78.8	Confident	71	Confident	29 Å²	29	77.4 Å²	77.4	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-49.1	174.4	-68	161.3	0	0	0	110.1	Y673 L676 V677 I748 S749 R755 H756	Y673-I752 HydrophobicContact CE2-CD1 4.31Å; L676-I752 HydrophobicContact CB-CG2 4.35Å; V677-I752 HydrophobicContact CG2-CD1 3.57Å; I748-I752 HydrophobicContact CG2-CD1 3.83Å; I748-I752 HydrophobicContact CG2-CG1 4.47Å; I748-I752 VanDerWaalsContact O-CG1 3.31Å; I748-I752 WeakPolarHBondContact O-CG1 3.18Å; I748-I752 PolarHBondContact O-N 3.35Å; S749-I752 WeakPolarHBondContact O-CB 3.44Å; S749-I752 PolarHBondContact O-N 2.89Å; S749-I752 VanDerWaalsContact O-N 3.14Å; I752-R755 PolarHBondContact O-N 2.85Å; I752-H756 PolarHBondContact O-CD2 2.81Å; I752-H756 PolarHBondContact O-N 2.84Å
753	I	70.3	Confident	69.2	Low	21 Å²	21	83.4 Å²	83.4	11%	0.108	42%	0.424	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.8	-72.3	119.1	0	0	0	112	L676 S749 M750 R755 H756 V757 I775 I779	L676-I753 HydrophobicContact CD1-CD1 3.43Å; L676-I753 VanDerWaalsContact CD1-CD1 3.43Å; L676-I753 HydrophobicContact CD2-CD1 3.43Å; L676-I753 VanDerWaalsContact CD2-CD1 3.43Å; L676-I753 HydrophobicContact CD2-CG1 3.71Å; L676-I753 HydrophobicContact CG-CD1 4.07Å; S749-I753 WeakPolarHBondContact O-CD1 3.23Å; S749-I753 PolarHBondContact O-N 3.41Å; M750-I753 PolarHBondContact O-N 3.29Å; I753-R755 PolarHBondContact O-N 3.19Å; I753-H756 PolarHBondContact O-N 2.88Å; I753-V757 HydrophobicContact CG2-CG2 3.65Å; I753-V757 VanDerWaalsContact O-CB 3.3Å; I753-V757 WeakPolarHBondContact O-CB 3.3Å; I753-V757 VanDerWaalsContact O-CG2 3.25Å; I753-V757 WeakPolarHBondContact O-CG2 3.33Å; I753-V757 PolarHBondContact O-N 3.44Å; I753-I775 HydrophobicContact CG1-CG2 4.34Å; I753-I779 HydrophobicContact CB-CD1 4.07Å; I753-I779 HydrophobicContact CD1-CD1 3.19Å; I753-I779 HydrophobicContact CD1-CG1 3.84Å; I753-I779 HydrophobicContact CG1-CD1 3.45Å; I753-I779 VanDerWaalsContact CG1-CD1 3.45Å; I753-I779 HydrophobicContact CG2-CD1 3.8Å
754	A	74	Confident	67.6	Low	67 Å²	67	85 Å²	85	55%	0.554	43%	0.433	S	S	*	.	H	α-helix	trans	-62.3	-29.4	178.2	0	0	0	0	0	112.5	M750 A751 P758	M750-A754 WeakPolarHBondContact O-CB 3.36Å; M750-A754 PolarHBondContact O-N 3.34Å; A751-A754 PolarHBondContact O-N 3.08Å; A754-P758 WeakPolarHBondContact O-CD 3.07Å; A754-P758 VanDerWaalsContact O-CG 3.23Å; A754-P758 WeakPolarHBondContact O-CG 3.49Å
755	R	76.9	Confident	66.1	Low	201 Å²	201	85.2 Å²	85.2	76%	0.758	43%	0.432	S	S	*	.	H	α-helix	trans	-79.2	-38.1	174	-73	172.5	177.5	-170.4	-0.7	113.3	A751 I752 I753	A751-R755 WeakPolarHBondContact O-CB 3.4Å; A751-R755 VanDerWaalsContact O-CG 3.23Å; A751-R755 WeakPolarHBondContact O-CG 3.49Å; A751-R755 PolarHBondContact O-N 3.49Å; I752-R755 PolarHBondContact O-N 2.85Å; I753-R755 PolarHBondContact O-N 3.19Å
756	H	66.9	Low	64.7	Low	115 Å²	115	88.6 Å²	88.6	53%	0.532	46%	0.455	S	S	.	.	H	α-helix	trans	-91.2	-23.8	-175.3	-64.2	-49	0	0	0	115.5	I752 I753 S760	I752-H756 PolarHBondContact O-CD2 2.81Å; I752-H756 PolarHBondContact O-N 2.84Å; I753-H756 PolarHBondContact O-N 2.88Å; H756-S760 PolarHBondContact O-N 3.31Å; H756-S760 PolarHBondContact O-OG 3.38Å
757	V	60.7	Low	63.9	Low	45 Å²	45	93.2 Å²	93.2	27%	0.273	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-41.9	176.4	166.8	0	0	0	0	113.4	I753 Y759 S760 L772	I753-V757 HydrophobicContact CG2-CG2 3.65Å; I753-V757 VanDerWaalsContact O-CB 3.3Å; I753-V757 WeakPolarHBondContact O-CB 3.3Å; I753-V757 VanDerWaalsContact O-CG2 3.25Å; I753-V757 WeakPolarHBondContact O-CG2 3.33Å; I753-V757 PolarHBondContact O-N 3.44Å; V757-Y759 VanDerWaalsContact C-N 3.33Å; V757-Y759 PolarHBondContact O-N 2.94Å; V757-S760 PolarHBondContact O-N 3.37Å; V757-L772 HydrophobicContact CG2-CD2 4.38Å
758	P	55.7	Low	62.6	Low	66 Å²	66	92.9 Å²	92.9	43%	0.429	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-39.2	177.5	-24.2	34.4	0	0	0	113.4	A754 S760 R761	A754-P758 WeakPolarHBondContact O-CD 3.07Å; A754-P758 VanDerWaalsContact O-CG 3.23Å; A754-P758 WeakPolarHBondContact O-CG 3.49Å; P758-S760 VanDerWaalsContact C-N 3.25Å; P758-S760 PolarHBondContact O-N 2.88Å; P758-R761 PolarHBondContact O-N 3.25Å
759	Y	51.3	Low	61.4	Low	203 Å²	203	92.4 Å²	92.4	80%	0.796	48%	0.481	S	S	*	.	H	α-helix	trans	-69.2	-23.4	-177.7	-159	-98.4	0	0	0	112.9	V757 R761	V757-Y759 VanDerWaalsContact C-N 3.33Å; V757-Y759 PolarHBondContact O-N 2.94Å; Y759-R761 VanDerWaalsContact C-N 3.26Å; Y759-R761 PolarHBondContact O-N 3.2Å
760	S	48.8	Very low	60.7	Low	46 Å²	46	93.9 Å²	93.9	32%	0.322	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	16.6	-179	-57.6	0	0	0	0	114.2	H756 V757 P758 A762 L772	H756-S760 PolarHBondContact O-N 3.31Å; H756-S760 PolarHBondContact O-OG 3.38Å; V757-S760 PolarHBondContact O-N 3.37Å; P758-S760 VanDerWaalsContact C-N 3.25Å; P758-S760 PolarHBondContact O-N 2.88Å; S760-A762 VanDerWaalsContact C-N 3.34Å; S760-L772 VanDerWaalsContact OG-CD1 3.24Å; S760-L772 WeakPolarHBondContact OG-CD1 3.26Å
761	R	45.9	Very low	60.2	Low	198 Å²	198	96.4 Å²	96.4	75%	0.747	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.8	170.5	-68.7	-166.6	179.9	103.7	-7.2	114	P758 Y759	P758-R761 PolarHBondContact O-N 3.25Å; Y759-R761 VanDerWaalsContact C-N 3.26Å; Y759-R761 PolarHBondContact O-N 3.2Å
762	A	44.6	Very low	59.3	Low	65 Å²	65	96.4 Å²	96.4	54%	0.537	50%	0.498	S	S	.	.	S	Bend	trans	-70	140.5	171.8	0	0	0	0	0	111.1	S760 Q764	S760-A762 VanDerWaalsContact C-N 3.34Å; A762-Q764 PolarHBondContact O-N 3.28Å
763	P	44.8	Very low	58.7	Low	127 Å²	127	100.2 Å²	100.2	83%	0.825	52%	0.519	S	S	*	.	S	Bend	trans	-73	11.5	-164.5	-19.5	34	0	0	0	117.1
764	Q	50.7	Low	58.5	Low	174 Å²	174	105.7 Å²	105.7	81%	0.813	54%	0.538	S	S	*	.	S	Bend	trans	-93.7	7.9	-160	-68.8	-172.9	-11	0	0	116.2	A762	A762-Q764 PolarHBondContact O-N 3.28Å
765	N	54	Low	58.1	Low	84 Å²	84	104 Å²	104	45%	0.449	52%	0.52	S	S	.	.			trans	-166.3	106.9	168.1	-116	-76	0	0	0	113	D767 K768	N765-D767 PolarHBondContact O-N 2.9Å; N765-K768 HydrophobicContact CB-CB 4.13Å; N765-K768 HydrophobicContact CB-CD 4.05Å; N765-K768 HydrophobicContact CB-CG 3.95Å; N765-K768 PolarHBondContact O-N 2.99Å
766	P	55.8	Low	57.7	Low	100 Å²	100	101 Å²	101	65%	0.649	51%	0.512	S	S	*	.	H	α-helix	trans	-63.6	-28.6	177.4	25.3	-32.9	0	0	0	113	K768 S769 A770	P766-K768 VanDerWaalsContact C-N 3.34Å; P766-K768 PolarHBondContact O-N 2.95Å; P766-S769 PolarHBondContact O-N 3.17Å; P766-S769 PolarHBondContact O-OG 3.22Å; P766-A770 PolarHBondContact O-N 3.36Å; P766-A770 VanDerWaalsContact O-N 3.08Å
767	D	59.5	Low	57.9	Low	112 Å²	112	101.1 Å²	101.1	60%	0.599	51%	0.511	S	S	*	.	H	α-helix	trans	-67.2	-33.1	177.1	-72	-50	0	0	0	113.5	N765 F771	N765-D767 PolarHBondContact O-N 2.9Å; D767-F771 VanDerWaalsContact O-CB 3.24Å; D767-F771 WeakPolarHBondContact O-CB 3.41Å; D767-F771 PolarHBondContact O-N 3.42Å
768	K	56.6	Low	58.2	Low	134 Å²	134	104.3 Å²	104.3	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-67.9	-41.1	175.9	-74.5	-174.7	178.3	-179.8	0	111.6	N765 P766 F771 L772	N765-K768 HydrophobicContact CB-CB 4.13Å; N765-K768 HydrophobicContact CB-CD 4.05Å; N765-K768 HydrophobicContact CB-CG 3.95Å; N765-K768 PolarHBondContact O-N 2.99Å; P766-K768 VanDerWaalsContact C-N 3.34Å; P766-K768 PolarHBondContact O-N 2.95Å; K768-F771 PolarHBondContact O-N 3.36Å; K768-L772 WeakPolarHBondContact O-CB 3.46Å; K768-L772 WeakPolarHBondContact O-CG 3.25Å; K768-L772 PolarHBondContact O-N 3.34Å
769	S	57.9	Low	58.9	Low	54 Å²	54	101.7 Å²	101.7	38%	0.378	50%	0.5	S	S	.	.	H	α-helix	trans	-69.2	-38.6	177.6	73.1	0	0	0	0	111.6	P766 L772 N773	P766-S769 PolarHBondContact O-N 3.17Å; P766-S769 PolarHBondContact O-OG 3.22Å; S769-L772 PolarHBondContact O-N 2.84Å; S769-N773 WeakPolarHBondContact O-CB 3.24Å; S769-N773 PolarHBondContact O-N 3.01Å; S769-N773 PolarHBondContact O-ND2 3.17Å
770	A	63.6	Low	59.7	Low	33 Å²	33	98.7 Å²	98.7	27%	0.273	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-40.9	172.2	0	0	0	0	0	112.4	P766 R774	P766-A770 PolarHBondContact O-N 3.36Å; P766-A770 VanDerWaalsContact O-N 3.08Å; A770-R774 WeakPolarHBondContact O-CG 3.32Å; A770-R774 PolarHBondContact O-N 3.15Å; A770-R774 PolarHBondContact O-NE 3.15Å
771	F	65.4	Low	60.7	Low	119 Å²	119	97.4 Å²	97.4	52%	0.522	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-46.2	174.9	179.8	-111	0	0	0	112.3	D767 K768 R774 I775	D767-F771 VanDerWaalsContact O-CB 3.24Å; D767-F771 WeakPolarHBondContact O-CB 3.41Å; D767-F771 PolarHBondContact O-N 3.42Å; K768-F771 PolarHBondContact O-N 3.36Å; F771-R774 WeakPolarHBondContact O-CB 3.47Å; F771-R774 PolarHBondContact O-N 3.03Å; F771-I775 HydrophobicContact CD1-CD1 3.71Å; F771-I775 HydrophobicContact CD2-CD1 4.38Å; F771-I775 HydrophobicContact CE1-CD1 3.3Å; F771-I775 HydrophobicContact CE2-CD1 4.03Å; F771-I775 HydrophobicContact CG-CD1 4.25Å; F771-I775 HydrophobicContact CZ-CD1 3.49Å; F771-I775 VanDerWaalsContact CZ-CD1 3.49Å; F771-I775 HydrophobicContact CZ-CG1 4.49Å; F771-I775 WeakPolarHBondContact O-CG1 3.34Å; F771-I775 PolarHBondContact O-N 3.3Å
772	L	62.6	Low	61.8	Low	32 Å²	32	88.8 Å²	88.8	17%	0.168	46%	0.457	C	S	.	.	H	α-helix	trans	-66.8	-37.6	177.4	-71.4	170.3	0	0	0	113	V757 S760 K768 S769 I775 K776	V757-L772 HydrophobicContact CG2-CD2 4.38Å; S760-L772 VanDerWaalsContact OG-CD1 3.24Å; S760-L772 WeakPolarHBondContact OG-CD1 3.26Å; K768-L772 WeakPolarHBondContact O-CB 3.46Å; K768-L772 WeakPolarHBondContact O-CG 3.25Å; K768-L772 PolarHBondContact O-N 3.34Å; S769-L772 PolarHBondContact O-N 2.84Å; L772-I775 PolarHBondContact O-N 3.46Å; L772-K776 WeakPolarHBondContact O-CB 3.4Å; L772-K776 PolarHBondContact O-N 3.08Å
773	N	66.3	Low	63	Low	108 Å²	108	90.4 Å²	90.4	58%	0.578	45%	0.452	S	S	*	.	H	α-helix	trans	-65.1	-38.5	173.6	-79.5	-30	0	0	0	112	S769 F777	S769-N773 WeakPolarHBondContact O-CB 3.24Å; S769-N773 PolarHBondContact O-N 3.01Å; S769-N773 PolarHBondContact O-ND2 3.17Å; N773-F777 PolarHBondContact O-N 3.49Å
774	R	66.3	Low	64.2	Low	137 Å²	137	86.9 Å²	86.9	52%	0.517	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-52.4	169.7	-72.9	179.8	-69.5	-112.6	5.5	110.3	A770 F771 K776 F777 W778	A770-R774 WeakPolarHBondContact O-CG 3.32Å; A770-R774 PolarHBondContact O-N 3.15Å; A770-R774 PolarHBondContact O-NE 3.15Å; F771-R774 WeakPolarHBondContact O-CB 3.47Å; F771-R774 PolarHBondContact O-N 3.03Å; R774-K776 VanDerWaalsContact C-N 3.33Å; R774-K776 PolarHBondContact O-N 3.39Å; R774-F777 WeakPolarHBondContact O-CB 3.27Å; R774-F777 PolarHBondContact O-N 2.85Å; R774-W778 PolarHBondContact O-N 3.43Å; R774-W778 VanDerWaalsContact O-N 3.15Å
775	I	66.2	Low	65	Low	32 Å²	32	79.7 Å²	79.7	16%	0.164	39%	0.393	C	S	.	.	H	α-helix	trans	-54.7	-45.8	178.7	-79.4	173.3	0	0	0	111.8	I753 F771 L772 F777 W778 I779	I753-I775 HydrophobicContact CG1-CG2 4.34Å; F771-I775 HydrophobicContact CD1-CD1 3.71Å; F771-I775 HydrophobicContact CD2-CD1 4.38Å; F771-I775 HydrophobicContact CE1-CD1 3.3Å; F771-I775 HydrophobicContact CE2-CD1 4.03Å; F771-I775 HydrophobicContact CG-CD1 4.25Å; F771-I775 HydrophobicContact CZ-CD1 3.49Å; F771-I775 VanDerWaalsContact CZ-CD1 3.49Å; F771-I775 HydrophobicContact CZ-CG1 4.49Å; F771-I775 WeakPolarHBondContact O-CG1 3.34Å; F771-I775 PolarHBondContact O-N 3.3Å; L772-I775 PolarHBondContact O-N 3.46Å; I775-F777 PolarHBondContact O-N 3.47Å; I775-W778 WeakPolarHBondContact O-CB 3.46Å; I775-W778 PolarHBondContact O-N 3.28Å; I775-I779 HydrophobicContact CG2-CD1 3.38Å; I775-I779 HydrophobicContact CG2-CG1 4.18Å; I775-I779 VanDerWaalsContact O-CD1 3.31Å; I775-I779 WeakPolarHBondContact O-CD1 3.25Å; I775-I779 VanDerWaalsContact O-CG1 3.27Å; I775-I779 WeakPolarHBondContact O-CG1 3.35Å; I775-I779 PolarHBondContact O-N 3.14Å
776	K	68.2	Low	65.8	Low	137 Å²	137	77 Å²	77	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-54.5	-38.8	175.9	-173.2	179.3	179.8	-178.3	0	112.7	L772 R774 K780	L772-K776 WeakPolarHBondContact O-CB 3.4Å; L772-K776 PolarHBondContact O-N 3.08Å; R774-K776 VanDerWaalsContact C-N 3.33Å; R774-K776 PolarHBondContact O-N 3.39Å; K776-K780 WeakPolarHBondContact O-CB 3.49Å; K776-K780 PolarHBondContact O-N 3.27Å
777	F	70.6	Confident	66.4	Low	118 Å²	118	74.9 Å²	74.9	52%	0.518	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-44.4	175.2	-171.9	-90.1	0	0	0	112.2	N773 R774 I775 I779 K780 G781 M829	N773-F777 PolarHBondContact O-N 3.49Å; R774-F777 WeakPolarHBondContact O-CB 3.27Å; R774-F777 PolarHBondContact O-N 2.85Å; I775-F777 PolarHBondContact O-N 3.47Å; F777-I779 PolarHBondContact O-N 3.27Å; F777-K780 PolarHBondContact O-N 3.08Å; F777-G781 PolarHBondContact O-N 3.3Å; F777-M829 HydrophobicContact CZ-CE 3.9Å
778	W	68	Low	66.9	Low	112 Å²	112	71.3 Å²	71.3	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-44.8	175.4	-71.8	99.7	0	0	0	112.3	R774 I775 G781 A782	R774-W778 PolarHBondContact O-N 3.43Å; R774-W778 VanDerWaalsContact O-N 3.15Å; I775-W778 WeakPolarHBondContact O-CB 3.46Å; I775-W778 PolarHBondContact O-N 3.28Å; W778-G781 PolarHBondContact O-N 2.96Å; W778-A782 PolarHBondContact O-N 2.05Å
779	I	68.8	Low	67.6	Low	10 Å²	10	65.6 Å²	65.6	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-40.8	179.1	-60.5	151.6	0	0	0	111.1	M750 I753 I775 F777 G781 A782 F783	M750-I779 HydrophobicContact CE-CG2 3.43Å; M750-I779 VanDerWaalsContact CE-CG2 3.43Å; M750-I779 HydrophobicContact CG-CG2 4.44Å; M750-I779 HydrophobicContact SD-CG2 3.43Å; M750-I779 WeakPolarHBondContact SD-CG2 3.34Å; I753-I779 HydrophobicContact CB-CD1 4.07Å; I753-I779 HydrophobicContact CD1-CD1 3.19Å; I753-I779 HydrophobicContact CD1-CG1 3.84Å; I753-I779 HydrophobicContact CG1-CD1 3.45Å; I753-I779 VanDerWaalsContact CG1-CD1 3.45Å; I753-I779 HydrophobicContact CG2-CD1 3.8Å; I775-I779 HydrophobicContact CG2-CD1 3.38Å; I775-I779 HydrophobicContact CG2-CG1 4.18Å; I775-I779 VanDerWaalsContact O-CD1 3.31Å; I775-I779 WeakPolarHBondContact O-CD1 3.25Å; I775-I779 VanDerWaalsContact O-CG1 3.27Å; I775-I779 WeakPolarHBondContact O-CG1 3.35Å; I775-I779 PolarHBondContact O-N 3.14Å; F777-I779 PolarHBondContact O-N 3.27Å; I779-G781 VanDerWaalsContact C-N 3.27Å; I779-G781 PolarHBondContact O-N 2.66Å; I779-A782 PolarHBondContact O-N 3.31Å; I779-F783 VanDerWaalsContact O-CB 3.32Å; I779-F783 WeakPolarHBondContact O-CB 3.48Å; I779-F783 PolarHBondContact O-N 2.9Å
780	K	68.6	Low	68.2	Low	140 Å²	140	63.7 Å²	63.7	61%	0.609	31%	0.309	S	S	*	.	H	α-helix	trans	-60.2	-40.2	173.9	-174.5	176.7	177.6	-179.2	0	110.9	K776 F777 I784	K776-K780 WeakPolarHBondContact O-CB 3.49Å; K776-K780 PolarHBondContact O-N 3.27Å; F777-K780 PolarHBondContact O-N 3.08Å; K780-I784 HydrophobicContact CG-CD1 4.1Å; K780-I784 WeakPolarHBondContact O-CD1 3.03Å; K780-I784 VanDerWaalsContact O-CG1 3.22Å; K780-I784 WeakPolarHBondContact O-CG1 3.03Å; K780-I784 PolarHBondContact O-N 3.32Å; K780-I784 VanDerWaalsContact O-N 3.07Å
781	G	69.5	Low	68.6	Low	19 Å²	19	66.5 Å²	66.5	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-50.1	172.6	0	0	0	0	0	113	F777 W778 I779 F783 I784 L785	F777-G781 PolarHBondContact O-N 3.3Å; W778-G781 PolarHBondContact O-N 2.96Å; I779-G781 VanDerWaalsContact C-N 3.27Å; I779-G781 PolarHBondContact O-N 2.66Å; G781-F783 PolarHBondContact O-N 3.4Å; G781-I784 PolarHBondContact O-N 3.38Å; G781-L785 WeakPolarHBondContact O-CB 3.4Å; G781-L785 PolarHBondContact O-N 2.63Å
782	A	69	Low	69.3	Low	17 Å²	17	61 Å²	61	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-39.6	179	0	0	0	0	0	112.8	L672 W778 I779 L785 V786	L672-A782 HydrophobicContact CD2-CB 3.79Å; W778-A782 PolarHBondContact O-N 2.05Å; I779-A782 PolarHBondContact O-N 3.31Å; A782-L785 PolarHBondContact O-N 2.8Å; A782-V786 PolarHBondContact O-N 3.32Å
783	F	70.8	Confident	70	Confident	99 Å²	99	61.1 Å²	61.1	43%	0.434	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-46.2	173.5	179.1	-99.5	0	0	0	111.6	M750 I779 G781 L785 V786 V787	M750-F783 HydrophobicContact CE-CB 3.66Å; M750-F783 HydrophobicContact CE-CD2 3.77Å; M750-F783 HydrophobicContact CE-CG 3.84Å; I779-F783 VanDerWaalsContact O-CB 3.32Å; I779-F783 WeakPolarHBondContact O-CB 3.48Å; I779-F783 PolarHBondContact O-N 2.9Å; G781-F783 PolarHBondContact O-N 3.4Å; F783-L785 VanDerWaalsContact C-N 3.31Å; F783-L785 PolarHBondContact O-N 2.76Å; F783-V786 PolarHBondContact O-N 3.44Å; F783-V787 HydrophobicContact CD1-CG2 4.11Å; F783-V787 HydrophobicContact CD2-CG2 4.16Å; F783-V787 HydrophobicContact CE1-CG2 3.72Å; F783-V787 HydrophobicContact CE2-CG2 3.78Å; F783-V787 HydrophobicContact CG-CG2 4.33Å; F783-V787 HydrophobicContact CZ-CG2 3.54Å; F783-V787 VanDerWaalsContact O-CB 3.3Å; F783-V787 WeakPolarHBondContact O-CB 3.5Å; F783-V787 VanDerWaalsContact O-CG2 3.25Å; F783-V787 WeakPolarHBondContact O-CG2 3.37Å; F783-V787 PolarHBondContact O-N 2.92Å
784	I	69.1	Low	70.4	Confident	53 Å²	53	58.6 Å²	58.6	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.2	-66	161.6	0	0	0	110.5	K780 G781 V787 L788 F825	K780-I784 HydrophobicContact CG-CD1 4.1Å; K780-I784 WeakPolarHBondContact O-CD1 3.03Å; K780-I784 VanDerWaalsContact O-CG1 3.22Å; K780-I784 WeakPolarHBondContact O-CG1 3.03Å; K780-I784 PolarHBondContact O-N 3.32Å; K780-I784 VanDerWaalsContact O-N 3.07Å; G781-I784 PolarHBondContact O-N 3.38Å; I784-V787 PolarHBondContact O-N 3.32Å; I784-L788 HydrophobicContact CG2-CD1 3.79Å; I784-L788 HydrophobicContact CG2-CG 4.2Å; I784-L788 WeakPolarHBondContact O-CB 3.31Å; I784-L788 VanDerWaalsContact O-CG 3.24Å; I784-L788 WeakPolarHBondContact O-CG 3.38Å; I784-L788 PolarHBondContact O-N 3.18Å; I784-F825 HydrophobicContact CB-CZ 4.16Å; I784-F825 HydrophobicContact CD1-CE1 4.25Å; I784-F825 HydrophobicContact CD1-CZ 4.24Å; I784-F825 HydrophobicContact CG2-CE1 4.39Å; I784-F825 HydrophobicContact CG2-CE2 3.75Å; I784-F825 HydrophobicContact CG2-CZ 3.49Å; I784-F825 VanDerWaalsContact CG2-CZ 3.49Å
785	L	68.9	Low	71	Confident	24 Å²	24	53.9 Å²	53.9	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-46	179.5	-170.4	66	0	0	0	112.4	E668 G781 A782 F783 L789 I822	E668-L785 WeakPolarHBondContact OE1-CD2 3.19Å; G781-L785 WeakPolarHBondContact O-CB 3.4Å; G781-L785 PolarHBondContact O-N 2.63Å; A782-L785 PolarHBondContact O-N 2.8Å; F783-L785 VanDerWaalsContact C-N 3.31Å; F783-L785 PolarHBondContact O-N 2.76Å; L785-L789 WeakPolarHBondContact O-CB 3.49Å; L785-L789 PolarHBondContact O-N 2.76Å; L785-I822 HydrophobicContact CD1-CG1 4.12Å
786	V	69.5	Low	71.4	Confident	26 Å²	26	53 Å²	53	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-78.8	-25.4	179	177	0	0	0	0	112.7	N742 L746 A782 F783 G790	N742-V786 HydrophobicContact CB-CG1 4.46Å; L746-V786 HydrophobicContact CD1-CB 3.45Å; L746-V786 VanDerWaalsContact CD1-CB 3.45Å; L746-V786 HydrophobicContact CD1-CG1 3.57Å; L746-V786 HydrophobicContact CD1-CG2 3.7Å; A782-V786 PolarHBondContact O-N 3.32Å; F783-V786 PolarHBondContact O-N 3.44Å; V786-G790 VanDerWaalsContact O-CA 3.3Å; V786-G790 WeakPolarHBondContact O-CA 3.01Å; V786-G790 PolarHBondContact O-N 3.47Å
787	V	68.6	Low	71.5	Confident	56 Å²	56	49.5 Å²	49.5	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-68.9	-46.8	168.2	167.5	0	0	0	0	110.4	F783 I784 L789 G790 L791	F783-V787 HydrophobicContact CD1-CG2 4.11Å; F783-V787 HydrophobicContact CD2-CG2 4.16Å; F783-V787 HydrophobicContact CE1-CG2 3.72Å; F783-V787 HydrophobicContact CE2-CG2 3.78Å; F783-V787 HydrophobicContact CG-CG2 4.33Å; F783-V787 HydrophobicContact CZ-CG2 3.54Å; F783-V787 VanDerWaalsContact O-CB 3.3Å; F783-V787 WeakPolarHBondContact O-CB 3.5Å; F783-V787 VanDerWaalsContact O-CG2 3.25Å; F783-V787 WeakPolarHBondContact O-CG2 3.37Å; F783-V787 PolarHBondContact O-N 2.92Å; I784-V787 PolarHBondContact O-N 3.32Å; V787-L789 PolarHBondContact O-N 2.86Å; V787-G790 PolarHBondContact O-N 3.29Å; V787-L791 HydrophobicContact CG1-CD1 3.58Å; V787-L791 HydrophobicContact CG1-CG 4.16Å; V787-L791 WeakPolarHBondContact O-CB 3.03Å; V787-L791 WeakPolarHBondContact O-CG 3.3Å; V787-L791 PolarHBondContact O-N 3.07Å
788	L	70.5	Confident	71.5	Confident	37 Å²	37	47.9 Å²	47.9	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-54.9	-54	176.3	-77.5	168.3	0	0	0	110.4	I784 L791 T792 F821 F825	I784-L788 HydrophobicContact CG2-CD1 3.79Å; I784-L788 HydrophobicContact CG2-CG 4.2Å; I784-L788 WeakPolarHBondContact O-CB 3.31Å; I784-L788 VanDerWaalsContact O-CG 3.24Å; I784-L788 WeakPolarHBondContact O-CG 3.38Å; I784-L788 PolarHBondContact O-N 3.18Å; L788-L791 PolarHBondContact O-N 3.47Å; L788-T792 WeakPolarHBondContact O-CG2 3.29Å; L788-T792 PolarHBondContact O-N 2.84Å; L788-F821 HydrophobicContact CD1-CB 4.05Å; L788-F821 HydrophobicContact CD1-CD1 4.05Å; L788-F821 HydrophobicContact CD1-CD2 4.04Å; L788-F821 HydrophobicContact CD1-CG 3.79Å; L788-F821 HydrophobicContact CD2-CD2 4.45Å; L788-F821 HydrophobicContact CD2-CE2 4.18Å; L788-F821 HydrophobicContact CD2-CZ 4.3Å; L788-F825 HydrophobicContact CD1-CE2 4.22Å
789	L	71.2	Confident	71.5	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-72.7	-37.2	-177.4	177.9	127.1	0	0	0	113.8	F662 M665 L739 L785 V787 L791 T792 W793 Q818	F662-L789 HydrophobicContact CE1-CD2 4.46Å; M665-L789 HydrophobicContact CE-CD1 3.33Å; M665-L789 HydrophobicContact CE-CD2 3.3Å; M665-L789 HydrophobicContact CE-CG 3.88Å; M665-L789 HydrophobicContact CG-CD2 4.24Å; M665-L789 HydrophobicContact SD-CD1 4.4Å; M665-L789 HydrophobicContact SD-CD2 3.23Å; M665-L789 WeakPolarHBondContact SD-CD2 3.46Å; M665-L789 HydrophobicContact SD-CG 4.4Å; L739-L789 HydrophobicContact CD2-CD2 3.91Å; L785-L789 WeakPolarHBondContact O-CB 3.49Å; L785-L789 PolarHBondContact O-N 2.76Å; V787-L789 PolarHBondContact O-N 2.86Å; L789-L791 VanDerWaalsContact C-N 3.31Å; L789-L791 PolarHBondContact O-N 2.97Å; L789-T792 PolarHBondContact O-N 3.12Å; L789-T792 PolarHBondContact O-OG1 2.8Å; L789-W793 PolarHBondContact O-N 3.25Å; L789-Q818 VanDerWaalsContact CD1-NE2 3.33Å
790	G	71.5	Confident	71	Confident	14 Å²	14	50.1 Å²	50.1	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-40.4	174	0	0	0	0	0	111.4	V786 V787 S794	V786-G790 VanDerWaalsContact O-CA 3.3Å; V786-G790 WeakPolarHBondContact O-CA 3.01Å; V786-G790 PolarHBondContact O-N 3.47Å; V787-G790 PolarHBondContact O-N 3.29Å; G790-S794 WeakPolarHBondContact O-CB 3.43Å; G790-S794 PolarHBondContact O-N 2.86Å; G790-S794 PolarHBondContact O-OG 2.82Å
791	L	71.6	Confident	70.2	Confident	93 Å²	93	47.9 Å²	47.9	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-68.3	-41.2	174.6	-70.5	173.5	0	0	0	112.1	V787 L788 L789 W793 S794 L795	V787-L791 HydrophobicContact CG1-CD1 3.58Å; V787-L791 HydrophobicContact CG1-CG 4.16Å; V787-L791 WeakPolarHBondContact O-CB 3.03Å; V787-L791 WeakPolarHBondContact O-CG 3.3Å; V787-L791 PolarHBondContact O-N 3.07Å; L788-L791 PolarHBondContact O-N 3.47Å; L789-L791 VanDerWaalsContact C-N 3.31Å; L789-L791 PolarHBondContact O-N 2.97Å; L791-W793 VanDerWaalsContact C-N 3.34Å; L791-W793 PolarHBondContact O-N 3.48Å; L791-S794 PolarHBondContact O-N 3.25Å; L791-L795 WeakPolarHBondContact O-CB 3.5Å; L791-L795 VanDerWaalsContact O-CG 3.25Å; L791-L795 WeakPolarHBondContact O-CG 3.32Å; L791-L795 PolarHBondContact O-N 3.21Å
792	T	80	Confident	69.5	Low	4 Å²	4	53 Å²	53	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-57.4	-49.4	-179.8	70.1	0	0	0	0	110.9	L788 L789 L795 G796 F811 L814 N815	L788-T792 WeakPolarHBondContact O-CG2 3.29Å; L788-T792 PolarHBondContact O-N 2.84Å; L789-T792 PolarHBondContact O-N 3.12Å; L789-T792 PolarHBondContact O-OG1 2.8Å; T792-L795 PolarHBondContact O-N 3.17Å; T792-G796 PolarHBondContact O-N 3.14Å; T792-G796 VanDerWaalsContact O-N 3.13Å; T792-F811 WeakPolarHBondContact O-CD2 3.38Å; T792-F811 WeakPolarHBondContact O-CE2 3.38Å; T792-L814 HydrophobicContact CG2-CB 3.4Å; T792-L814 VanDerWaalsContact CG2-CB 3.4Å; T792-N815 WeakPolarHBondContact CB-OD1 3.38Å; T792-N815 PolarHBondContact OG1-OD1 3.44Å
793	W	76.8	Confident	68.8	Low	34 Å²	34	54.6 Å²	54.6	13%	0.129	31%	0.307	C	S	.	.	H	α-helix	trans	-80.5	-27.9	-176.6	-67	99	0	0	0	113.3	F658 F662 F731 V735 L739 L789 L791 G796 I797 F811	F658-W793 HydrophobicContact CD1-CZ2 4.47Å; F662-W793 AromaticContact CE1-CD1 3.96Å; F662-W793 HydrophobicContact CE1-CG 4.23Å; F662-W793 HydrophobicContact CE2-CD2 4.2Å; F662-W793 AromaticContact CE2-CE2 3.9Å; F662-W793 HydrophobicContact CE2-CH2 4.48Å; F662-W793 HydrophobicContact CE2-CZ2 4.05Å; F662-W793 HydrophobicContact CZ-CB 4.42Å; F662-W793 AromaticContact CZ-CD1 3.51Å; F662-W793 AromaticContact CZ-CD2 3.56Å; F662-W793 HydrophobicContact CZ-CD2 3.56Å; F662-W793 AromaticContact CZ-CE2 3.47Å; F662-W793 VanDerWaalsContact CZ-CE2 3.47Å; F662-W793 HydrophobicContact CZ-CE3 4.28Å; F662-W793 AromaticContact CZ-CG 3.59Å; F662-W793 HydrophobicContact CZ-CG 3.59Å; F662-W793 HydrophobicContact CZ-CZ2 4.11Å; F662-W793 AromaticContact CZ-NE1 3.47Å; F731-W793 HydrophobicContact CE1-CE3 4.33Å; F731-W793 HydrophobicContact CE1-CH2 4.25Å; F731-W793 AromaticContact CE1-CZ3 3.65Å; F731-W793 HydrophobicContact CE1-CZ3 3.65Å; F731-W793 HydrophobicContact CZ-CE3 4.45Å; F731-W793 AromaticContact CZ-CH2 3.86Å; F731-W793 HydrophobicContact CZ-CH2 3.86Å; F731-W793 AromaticContact CZ-CZ3 3.7Å; F731-W793 HydrophobicContact CZ-CZ3 3.7Å; V735-W793 HydrophobicContact CG1-CB 4.34Å; L739-W793 HydrophobicContact CD1-CB 3.94Å; L789-W793 PolarHBondContact O-N 3.25Å; L791-W793 VanDerWaalsContact C-N 3.34Å; L791-W793 PolarHBondContact O-N 3.48Å; W793-G796 PolarHBondContact O-N 3.13Å; W793-I797 WeakPolarHBondContact O-CG1 3.29Å; W793-I797 PolarHBondContact O-N 2.73Å; W793-F811 HydrophobicContact CE3-CE2 4.45Å
794	S	74.4	Confident	68.6	Low	54 Å²	54	52 Å²	52	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-40.8	168.7	-61.1	0	0	0	0	111.9	G790 L791 G796 I797 L798	G790-S794 WeakPolarHBondContact O-CB 3.43Å; G790-S794 PolarHBondContact O-N 2.86Å; G790-S794 PolarHBondContact O-OG 2.82Å; L791-S794 PolarHBondContact O-N 3.25Å; S794-G796 VanDerWaalsContact C-N 3.29Å; S794-G796 PolarHBondContact O-N 3.18Å; S794-I797 PolarHBondContact O-N 3.24Å; S794-L798 WeakPolarHBondContact O-CG 3.25Å; S794-L798 PolarHBondContact O-N 3.3Å
795	L	79.7	Confident	68.8	Low	39 Å²	39	51.8 Å²	51.8	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-33.4	173	-70.9	168.1	0	0	0	111.8	L791 T792 L798 L799 I807 M810 F811 L814	L791-L795 WeakPolarHBondContact O-CB 3.5Å; L791-L795 VanDerWaalsContact O-CG 3.25Å; L791-L795 WeakPolarHBondContact O-CG 3.32Å; L791-L795 PolarHBondContact O-N 3.21Å; T792-L795 PolarHBondContact O-N 3.17Å; L795-L798 HydrophobicContact CD2-CD1 4.5Å; L795-L798 PolarHBondContact O-N 2.75Å; L795-L799 WeakPolarHBondContact O-CB 3.31Å; L795-L799 PolarHBondContact O-N 3.44Å; L795-I807 HydrophobicContact CB-CG2 4.31Å; L795-I807 HydrophobicContact CD2-CG2 4.24Å; L795-I807 VanDerWaalsContact O-CG2 3.28Å; L795-I807 WeakPolarHBondContact O-CG2 3.25Å; L795-M810 HydrophobicContact CD1-CB 4.04Å; L795-F811 HydrophobicContact CB-CB 4.47Å; L795-L814 HydrophobicContact CD1-CD1 3.8Å
796	G	73.9	Confident	69.2	Low	14 Å²	14	53.9 Å²	53.9	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-43.6	173.5	0	0	0	0	0	112.9	T792 W793 S794 L799 V800 F811	T792-G796 PolarHBondContact O-N 3.14Å; T792-G796 VanDerWaalsContact O-N 3.13Å; W793-G796 PolarHBondContact O-N 3.13Å; S794-G796 VanDerWaalsContact C-N 3.29Å; S794-G796 PolarHBondContact O-N 3.18Å; G796-L799 WeakPolarHBondContact O-CB 3.33Å; G796-L799 PolarHBondContact O-N 3.33Å; G796-V800 PolarHBondContact O-N 3.2Å; G796-F811 VanDerWaalsContact N-CD2 3.31Å
797	I	71.4	Confident	69.6	Low	63 Å²	63	54 Å²	54	32%	0.323	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-41.5	174.2	-64.7	164	0	0	0	110.5	V732 I736 W793 S794 L799 V800 S801	V732-I797 HydrophobicContact CG1-CG1 4.26Å; I736-I797 HydrophobicContact CD1-CD1 4.1Å; I736-I797 HydrophobicContact CG1-CD1 3.7Å; W793-I797 WeakPolarHBondContact O-CG1 3.29Å; W793-I797 PolarHBondContact O-N 2.73Å; S794-I797 PolarHBondContact O-N 3.24Å; I797-L799 VanDerWaalsContact C-N 3.31Å; I797-L799 PolarHBondContact O-N 3.27Å; I797-V800 PolarHBondContact O-N 3.04Å; I797-S801 PolarHBondContact O-N 3.47Å
798	L	69.1	Low	70	Confident	83 Å²	83	51.6 Å²	51.6	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-34.3	175.6	-72.9	171.9	0	0	0	112.6	S794 L795 V800 S801 Q802 I807	S794-L798 WeakPolarHBondContact O-CG 3.25Å; S794-L798 PolarHBondContact O-N 3.3Å; L795-L798 HydrophobicContact CD2-CD1 4.5Å; L795-L798 PolarHBondContact O-N 2.75Å; L798-V800 VanDerWaalsContact C-N 3.27Å; L798-V800 PolarHBondContact O-N 3.13Å; L798-S801 PolarHBondContact O-N 3.1Å; L798-S801 VanDerWaalsContact O-N 3.11Å; L798-Q802 PolarHBondContact O-N 3.29Å; L798-I807 HydrophobicContact CB-CD1 4.42Å; L798-I807 HydrophobicContact CB-CG2 4.48Å
799	L	68.1	Low	70.8	Confident	46 Å²	46	52.4 Å²	52.4	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-33.4	176.2	-174	62.7	0	0	0	112.6	L795 G796 I797 S801 I807 A808	L795-L799 WeakPolarHBondContact O-CB 3.31Å; L795-L799 PolarHBondContact O-N 3.44Å; G796-L799 WeakPolarHBondContact O-CB 3.33Å; G796-L799 PolarHBondContact O-N 3.33Å; I797-L799 VanDerWaalsContact C-N 3.31Å; I797-L799 PolarHBondContact O-N 3.27Å; L799-S801 VanDerWaalsContact C-N 3.34Å; L799-I807 HydrophobicContact CB-CG2 4.03Å; L799-I807 HydrophobicContact CD1-CB 4.44Å; L799-I807 HydrophobicContact CD1-CG2 4.34Å; L799-A808 HydrophobicContact CD1-CB 3.83Å; L799-A808 HydrophobicContact CD2-CB 4.12Å
800	V	59.2	Low	71.4	Confident	123 Å²	123	57 Å²	57	75%	0.745	33%	0.334	S	S	*	.	H	α-helix	trans	-70.8	-29.6	175.5	178.8	0	0	0	0	111.9	G796 I797 L798	G796-V800 PolarHBondContact O-N 3.2Å; I797-V800 PolarHBondContact O-N 3.04Å; L798-V800 VanDerWaalsContact C-N 3.27Å; L798-V800 PolarHBondContact O-N 3.13Å
801	S	52.2	Low	72	Confident	93 Å²	93	58.5 Å²	58.5	65%	0.65	34%	0.337	S	S	*	.	H	α-helix	trans	-94.6	-34.9	-178.5	178.9	0	0	0	0	114	I797 L798 L799	I797-S801 PolarHBondContact O-N 3.47Å; L798-S801 PolarHBondContact O-N 3.1Å; L798-S801 VanDerWaalsContact O-N 3.11Å; L799-S801 VanDerWaalsContact C-N 3.34Å
802	Q	53.3	Low	72.7	Confident	128 Å²	128	55.3 Å²	55.3	60%	0.598	32%	0.321	S	S	*	.			trans	-137.4	100	-176.6	-64.8	-166.3	0.7	0	0	109.4	L798 A804	L798-Q802 PolarHBondContact O-N 3.29Å; Q802-A804 PolarHBondContact O-N 3.33Å
803	S	54.9	Low	73.1	Confident	50 Å²	50	58.2 Å²	58.2	35%	0.35	34%	0.336	S	S	.	.			trans	-75.6	60.9	-177.8	24.6	0	0	0	0	112.7	I574	I574-S803 WeakPolarHBondContact CD1-OG 3.25Å
804	A	66.5	Low	73.5	Confident	44 Å²	44	58.4 Å²	58.4	36%	0.364	34%	0.339	S	S	.	.			trans	-86.1	124	170	0	0	0	0	0	110.2	Q802 A806 I807 A808	Q802-A804 PolarHBondContact O-N 3.33Å; A804-A806 PolarHBondContact O-N 2.98Å; A804-A806 VanDerWaalsContact O-N 3.13Å; A804-I807 HydrophobicContact CB-CD1 3.93Å; A804-I807 HydrophobicContact CB-CG1 4Å; A804-I807 WeakPolarHBondContact O-CB 3.46Å; A804-I807 PolarHBondContact O-N 2.84Å; A804-A808 PolarHBondContact O-N 3.49Å
805	V	73.1	Confident	73.9	Confident	49 Å²	49	57.1 Å²	57.1	30%	0.297	33%	0.328	S	S	.	.	H	α-helix	trans	-53.3	-38.2	-178.6	174.5	0	0	0	0	112.3	F576 I807 A808 Y809	F576-V805 HydrophobicContact CD1-CG1 4.25Å; F576-V805 HydrophobicContact CD1-CG2 4.16Å; F576-V805 HydrophobicContact CE1-CB 4.31Å; F576-V805 HydrophobicContact CE1-CG1 4.19Å; F576-V805 HydrophobicContact CE1-CG2 4.1Å; V805-I807 VanDerWaalsContact C-N 3.33Å; V805-I807 PolarHBondContact O-N 2.75Å; V805-A808 WeakPolarHBondContact O-CB 3.42Å; V805-A808 PolarHBondContact O-N 2.85Å; V805-Y809 HydrophobicContact CG1-CD2 3.81Å; V805-Y809 HydrophobicContact CG1-CE2 3.52Å; V805-Y809 WeakPolarHBondContact O-CD2 3.36Å; V805-Y809 PolarHBondContact O-N 3.09Å
806	A	78.5	Confident	74.3	Confident	68 Å²	68	55.7 Å²	55.7	56%	0.562	32%	0.321	S	S	*	.	H	α-helix	trans	-61.3	-34.8	176.1	0	0	0	0	0	113.9	A804 A808 Y809 M810	A804-A806 PolarHBondContact O-N 2.98Å; A804-A806 VanDerWaalsContact O-N 3.13Å; A806-A808 VanDerWaalsContact C-N 3.33Å; A806-Y809 PolarHBondContact O-N 3.32Å; A806-M810 VanDerWaalsContact O-CG 3.28Å; A806-M810 WeakPolarHBondContact O-CG 3.21Å; A806-M810 PolarHBondContact O-N 2.79Å
807	I	76.5	Confident	74.8	Confident	29 Å²	29	57.1 Å²	57.1	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-38.8	177	-63.7	177.3	0	0	0	109.8	L795 L798 L799 A804 V805 M810 F811	L795-I807 HydrophobicContact CB-CG2 4.31Å; L795-I807 HydrophobicContact CD2-CG2 4.24Å; L795-I807 VanDerWaalsContact O-CG2 3.28Å; L795-I807 WeakPolarHBondContact O-CG2 3.25Å; L798-I807 HydrophobicContact CB-CD1 4.42Å; L798-I807 HydrophobicContact CB-CG2 4.48Å; L799-I807 HydrophobicContact CB-CG2 4.03Å; L799-I807 HydrophobicContact CD1-CB 4.44Å; L799-I807 HydrophobicContact CD1-CG2 4.34Å; A804-I807 HydrophobicContact CB-CD1 3.93Å; A804-I807 HydrophobicContact CB-CG1 4Å; A804-I807 WeakPolarHBondContact O-CB 3.46Å; A804-I807 PolarHBondContact O-N 2.84Å; V805-I807 VanDerWaalsContact C-N 3.33Å; V805-I807 PolarHBondContact O-N 2.75Å; I807-M810 PolarHBondContact O-N 2.04Å; I807-F811 VanDerWaalsContact O-CB 3.23Å; I807-F811 WeakPolarHBondContact O-CB 3.41Å; I807-F811 PolarHBondContact O-N 3.07Å
808	A	77.3	Confident	75.4	Confident	4 Å²	4	55 Å²	55	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-45.8	176.8	0	0	0	0	0	112.4	F576 L584 L799 A804 V805 A806 M810 F811 T812	F576-A808 HydrophobicContact CE1-CB 3.51Å; F576-A808 HydrophobicContact CZ-CB 3.45Å; F576-A808 VanDerWaalsContact CZ-CB 3.45Å; L584-A808 HydrophobicContact CD1-CB 4.28Å; L584-A808 HydrophobicContact CD2-CB 4.28Å; L799-A808 HydrophobicContact CD1-CB 3.83Å; L799-A808 HydrophobicContact CD2-CB 4.12Å; A804-A808 PolarHBondContact O-N 3.49Å; V805-A808 WeakPolarHBondContact O-CB 3.42Å; V805-A808 PolarHBondContact O-N 2.85Å; A806-A808 VanDerWaalsContact C-N 3.33Å; A808-M810 PolarHBondContact O-N 3.31Å; A808-F811 PolarHBondContact O-N 3.08Å; A808-T812 WeakPolarHBondContact O-CB 3.45Å; A808-T812 PolarHBondContact O-N 3.06Å; A808-T812 PolarHBondContact O-OG1 3.27Å
809	Y	86.8	Confident	76.3	Confident	54 Å²	54	51.1 Å²	51.1	21%	0.212	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-45.6	174.9	-79.5	-75.2	0	0	0	111.9	D580 A583 L584 I587 V805 A806 T812 I813	D580-Y809 WeakPolarHBondContact CA-OH 3.28Å; D580-Y809 WeakPolarHBondContact OD1-CE2 3.37Å; D580-Y809 PolarHBondContact OD1-OH 2.75Å; A583-Y809 HydrophobicContact CB-CE1 4.08Å; A583-Y809 WeakPolarHBondContact CB-OH 3.39Å; L584-Y809 HydrophobicContact CD2-CD1 3.7Å; L584-Y809 HydrophobicContact CD2-CD2 4.44Å; L584-Y809 HydrophobicContact CD2-CE1 3.98Å; L584-Y809 HydrophobicContact CD2-CG 3.96Å; L584-Y809 HydrophobicContact CG-CD1 4.31Å; L584-Y809 HydrophobicContact CG-CE1 4.06Å; I587-Y809 HydrophobicContact CD1-CD1 3.74Å; I587-Y809 HydrophobicContact CD1-CE1 3.8Å; V805-Y809 HydrophobicContact CG1-CD2 3.81Å; V805-Y809 HydrophobicContact CG1-CE2 3.52Å; V805-Y809 WeakPolarHBondContact O-CD2 3.36Å; V805-Y809 PolarHBondContact O-N 3.09Å; A806-Y809 PolarHBondContact O-N 3.32Å; Y809-T812 PolarHBondContact O-N 3.09Å; Y809-I813 WeakPolarHBondContact O-CB 3.44Å; Y809-I813 WeakPolarHBondContact O-CD1 3.42Å; Y809-I813 WeakPolarHBondContact O-CG1 3.42Å; Y809-I813 PolarHBondContact O-N 2.72Å
810	M	84.7	Confident	77.3	Confident	110 Å²	110	51.4 Å²	51.4	54%	0.542	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.6	-69.1	-68.6	179.3	0	0	112.1	L795 A806 I807 A808 L814	L795-M810 HydrophobicContact CD1-CB 4.04Å; A806-M810 VanDerWaalsContact O-CG 3.28Å; A806-M810 WeakPolarHBondContact O-CG 3.21Å; A806-M810 PolarHBondContact O-N 2.79Å; I807-M810 PolarHBondContact O-N 2.04Å; A808-M810 PolarHBondContact O-N 3.31Å; M810-L814 WeakPolarHBondContact O-CB 3.27Å; M810-L814 WeakPolarHBondContact O-CD1 3.49Å; M810-L814 WeakPolarHBondContact O-CG 3.46Å; M810-L814 PolarHBondContact O-N 3.37Å
811	F	84.1	Confident	78.5	Confident	47 Å²	47	48.3 Å²	48.3	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-51.8	175.2	175.6	-98.3	0	0	0	111.6	T792 W793 L795 G796 I807 A808 L814 N815	T792-F811 WeakPolarHBondContact O-CD2 3.38Å; T792-F811 WeakPolarHBondContact O-CE2 3.38Å; W793-F811 HydrophobicContact CE3-CE2 4.45Å; L795-F811 HydrophobicContact CB-CB 4.47Å; G796-F811 VanDerWaalsContact N-CD2 3.31Å; I807-F811 VanDerWaalsContact O-CB 3.23Å; I807-F811 WeakPolarHBondContact O-CB 3.41Å; I807-F811 PolarHBondContact O-N 3.07Å; A808-F811 PolarHBondContact O-N 3.08Å; F811-L814 PolarHBondContact O-N 3.17Å; F811-N815 WeakPolarHBondContact CD2-ND2 3.48Å; F811-N815 WeakPolarHBondContact CE2-ND2 3.45Å; F811-N815 WeakPolarHBondContact CZ-ND2 3.18Å; F811-N815 WeakPolarHBondContact O-CB 3.43Å; F811-N815 PolarHBondContact O-N 3.49Å; F811-N815 PolarHBondContact O-ND2 3.13Å
812	T	86.5	Confident	80.1	Confident	25 Å²	25	44 Å²	44	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-45.8	-177.3	-61	0	0	0	0	111.8	I587 A808 Y809 S816	I587-T812 HydrophobicContact CB-CG2 4.4Å; I587-T812 HydrophobicContact CG2-CG2 4.01Å; A808-T812 WeakPolarHBondContact O-CB 3.45Å; A808-T812 PolarHBondContact O-N 3.06Å; A808-T812 PolarHBondContact O-OG1 3.27Å; Y809-T812 PolarHBondContact O-N 3.09Å; T812-S816 WeakPolarHBondContact O-CB 3.39Å; T812-S816 PolarHBondContact O-N 3.08Å; T812-S816 PolarHBondContact O-OG 3.25Å
813	I	87.6	Confident	81.7	Confident	65 Å²	65	39.9 Å²	39.9	33%	0.333	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-50.2	177.9	-68.6	167	0	0	0	110.6	I587 Y809 S816 L817	I587-I813 HydrophobicContact CG2-CG1 3.67Å; Y809-I813 WeakPolarHBondContact O-CB 3.44Å; Y809-I813 WeakPolarHBondContact O-CD1 3.42Å; Y809-I813 WeakPolarHBondContact O-CG1 3.42Å; Y809-I813 PolarHBondContact O-N 2.72Å; I813-S816 PolarHBondContact O-OG 3.42Å; I813-S816 VanDerWaalsContact O-OG 3.11Å; I813-L817 HydrophobicContact CG2-CD1 3.95Å; I813-L817 WeakPolarHBondContact O-CB 3.16Å; I813-L817 WeakPolarHBondContact O-CG 3.38Å; I813-L817 PolarHBondContact O-N 3.32Å
814	L	85.1	Confident	83.2	Confident	39 Å²	39	39.3 Å²	39.3	20%	0.204	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-38.3	-173.8	-64.7	169	0	0	0	113	T792 L795 M810 F811	T792-L814 HydrophobicContact CG2-CB 3.4Å; T792-L814 VanDerWaalsContact CG2-CB 3.4Å; L795-L814 HydrophobicContact CD1-CD1 3.8Å; M810-L814 WeakPolarHBondContact O-CB 3.27Å; M810-L814 WeakPolarHBondContact O-CD1 3.49Å; M810-L814 WeakPolarHBondContact O-CG 3.46Å; M810-L814 PolarHBondContact O-N 3.37Å; F811-L814 PolarHBondContact O-N 3.17Å
815	N	84.2	Confident	83.8	Confident	27 Å²	27	39.6 Å²	39.6	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-69.8	-45.8	176.3	-75.3	-70.4	0	0	0	111.7	T792 F811 L817 Q818	T792-N815 WeakPolarHBondContact CB-OD1 3.38Å; T792-N815 PolarHBondContact OG1-OD1 3.44Å; F811-N815 WeakPolarHBondContact CD2-ND2 3.48Å; F811-N815 WeakPolarHBondContact CE2-ND2 3.45Å; F811-N815 WeakPolarHBondContact CZ-ND2 3.18Å; F811-N815 WeakPolarHBondContact O-CB 3.43Å; F811-N815 PolarHBondContact O-N 3.49Å; F811-N815 PolarHBondContact O-ND2 3.13Å; N815-L817 PolarHBondContact O-N 2.83Å; N815-L817 VanDerWaalsContact O-N 3.16Å; N815-Q818 VanDerWaalsContact O-CB 3.27Å; N815-Q818 WeakPolarHBondContact O-CB 3.17Å; N815-Q818 PolarHBondContact O-N 2.96Å; N815-Q818 VanDerWaalsContact O-N 3.09Å
816	S	87.7	Confident	84	Confident	8 Å²	8	38.1 Å²	38.1	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-19.8	-179	70.2	0	0	0	0	113.9	G591 S595 T812 I813	G591-S816 CarbonylContact C-O 3.57Å; S595-S816 WeakPolarHBondContact CB-O 3.48Å; T812-S816 WeakPolarHBondContact O-CB 3.39Å; T812-S816 PolarHBondContact O-N 3.08Å; T812-S816 PolarHBondContact O-OG 3.25Å; I813-S816 PolarHBondContact O-OG 3.42Å; I813-S816 VanDerWaalsContact O-OG 3.11Å
817	L	84.5	Confident	84.3	Confident	44 Å²	44	35.1 Å²	35.1	23%	0.23	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	6.8	176.7	-63.6	178.4	0	0	0	113.9	I813 N815 G819 L820 F821	I813-L817 HydrophobicContact CG2-CD1 3.95Å; I813-L817 WeakPolarHBondContact O-CB 3.16Å; I813-L817 WeakPolarHBondContact O-CG 3.38Å; I813-L817 PolarHBondContact O-N 3.32Å; N815-L817 PolarHBondContact O-N 2.83Å; N815-L817 VanDerWaalsContact O-N 3.16Å; L817-G819 PolarHBondContact O-N 3.32Å; L817-L820 HydrophobicContact CD2-CD2 4.13Å; L817-L820 WeakPolarHBondContact O-CB 3.34Å; L817-L820 PolarHBondContact O-N 2.85Å; L817-L820 VanDerWaalsContact O-N 3.12Å; L817-F821 HydrophobicContact CB-CD2 4.38Å; L817-F821 HydrophobicContact CB-CE2 3.91Å; L817-F821 HydrophobicContact CB-CZ 4.46Å; L817-F821 WeakPolarHBondContact O-CD2 3.21Å; L817-F821 PolarHBondContact O-N 2.77Å; L817-F821 VanDerWaalsContact O-N 3.13Å
818	Q	84.3	Confident	84.7	Confident	20 Å²	20	37.9 Å²	37.9	9%	0.093	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-43.1	-175.1	-173.3	178	-45.4	0	0	112.8	L627 L789 N815 L820 F821 I822	L627-Q818 VanDerWaalsContact CD1-NE2 3.34Å; L789-Q818 VanDerWaalsContact CD1-NE2 3.33Å; N815-Q818 VanDerWaalsContact O-CB 3.27Å; N815-Q818 WeakPolarHBondContact O-CB 3.17Å; N815-Q818 PolarHBondContact O-N 2.96Å; N815-Q818 VanDerWaalsContact O-N 3.09Å; Q818-L820 VanDerWaalsContact C-N 3.35Å; Q818-L820 PolarHBondContact O-N 3.04Å; Q818-F821 PolarHBondContact O-N 2.03Å; Q818-I822 HydrophobicContact CG-CD1 4.31Å; Q818-I822 WeakPolarHBondContact O-CG1 3.35Å; Q818-I822 PolarHBondContact O-N 2.83Å; Q818-I822 VanDerWaalsContact O-N 3.08Å
819	G	87.3	Confident	84.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-29.8	177.1	0	0	0	0	0	114.2	S595 L817 I822 F823	S595-G819 WeakPolarHBondContact OG-CA 3.34Å; S595-G819 PolarHBondContact OG-N 3.48Å; L817-G819 PolarHBondContact O-N 3.32Å; G819-I822 PolarHBondContact O-N 3.04Å; G819-F823 PolarHBondContact O-N 2.78Å
820	L	89.2	Confident	84.2	Confident	53 Å²	53	40.5 Å²	40.5	28%	0.277	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-45.3	171.9	175.4	64.4	0	0	0	110.9	V594 C598 L817 Q818 I822 F823 C824	V594-L820 HydrophobicContact CG1-CB 4.46Å; V594-L820 HydrophobicContact CG1-CD1 4.42Å; V594-L820 HydrophobicContact CG1-CD2 4.29Å; C598-L820 VanDerWaalsContact SG-CD1 3.6Å; L817-L820 HydrophobicContact CD2-CD2 4.13Å; L817-L820 WeakPolarHBondContact O-CB 3.34Å; L817-L820 PolarHBondContact O-N 2.85Å; L817-L820 VanDerWaalsContact O-N 3.12Å; Q818-L820 VanDerWaalsContact C-N 3.35Å; Q818-L820 PolarHBondContact O-N 3.04Å; L820-I822 VanDerWaalsContact C-N 3.34Å; L820-I822 PolarHBondContact O-N 2.96Å; L820-F823 PolarHBondContact O-N 3.03Å; L820-C824 WeakPolarHBondContact O-CB 3.39Å; L820-C824 PolarHBondContact O-N 3.38Å; L820-C824 PolarHBondContact O-SG 2.87Å; L820-C824 VanDerWaalsContact O-SG 3.33Å
821	F	84.6	Confident	83.7	Confident	57 Å²	57	41.7 Å²	41.7	25%	0.25	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-42.7	175.5	-65.4	-56.7	0	0	0	111.6	L788 L817 Q818 C824 F825	L788-F821 HydrophobicContact CD1-CB 4.05Å; L788-F821 HydrophobicContact CD1-CD1 4.05Å; L788-F821 HydrophobicContact CD1-CD2 4.04Å; L788-F821 HydrophobicContact CD1-CG 3.79Å; L788-F821 HydrophobicContact CD2-CD2 4.45Å; L788-F821 HydrophobicContact CD2-CE2 4.18Å; L788-F821 HydrophobicContact CD2-CZ 4.3Å; L817-F821 HydrophobicContact CB-CD2 4.38Å; L817-F821 HydrophobicContact CB-CE2 3.91Å; L817-F821 HydrophobicContact CB-CZ 4.46Å; L817-F821 WeakPolarHBondContact O-CD2 3.21Å; L817-F821 PolarHBondContact O-N 2.77Å; L817-F821 VanDerWaalsContact O-N 3.13Å; Q818-F821 PolarHBondContact O-N 2.03Å; F821-C824 PolarHBondContact O-N 3.3Å; F821-F825 WeakPolarHBondContact O-CD2 3.29Å; F821-F825 PolarHBondContact O-N 2.93Å
822	I	85.1	Confident	83.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-50.9	175	-72.2	168.4	0	0	0	111	L599 T602 L627 L785 Q818 G819 L820 C824 F825 Q826	L599-I822 HydrophobicContact CD2-CD1 4.33Å; L599-I822 HydrophobicContact CD2-CG2 4.48Å; T602-I822 HydrophobicContact CG2-CG2 4.32Å; L627-I822 HydrophobicContact CD1-CD1 3.59Å; L785-I822 HydrophobicContact CD1-CG1 4.12Å; Q818-I822 HydrophobicContact CG-CD1 4.31Å; Q818-I822 WeakPolarHBondContact O-CG1 3.35Å; Q818-I822 PolarHBondContact O-N 2.83Å; Q818-I822 VanDerWaalsContact O-N 3.08Å; G819-I822 PolarHBondContact O-N 3.04Å; L820-I822 VanDerWaalsContact C-N 3.34Å; L820-I822 PolarHBondContact O-N 2.96Å; I822-C824 PolarHBondContact O-N 2.72Å; I822-F825 PolarHBondContact O-N 2.9Å; I822-Q826 HydrophobicContact CG2-CG 4.37Å; I822-Q826 VanDerWaalsContact O-CB 3.23Å; I822-Q826 WeakPolarHBondContact O-CB 3.44Å; I822-Q826 WeakPolarHBondContact O-CG 3.05Å; I822-Q826 PolarHBondContact O-N 2.99Å
823	F	88.1	Confident	83	Confident	42 Å²	42	45.6 Å²	45.6	18%	0.184	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-44.4	178.1	175.5	-104.8	0	0	0	112.4	C598 A601 T602 G819 L820 V827 L828	C598-F823 HydrophobicContact CB-CB 3.72Å; C598-F823 HydrophobicContact CB-CG 4.17Å; A601-F823 HydrophobicContact CB-CD2 4.14Å; A601-F823 HydrophobicContact CB-CE2 3.78Å; T602-F823 WeakPolarHBondContact OG1-CD2 3.01Å; G819-F823 PolarHBondContact O-N 2.78Å; L820-F823 PolarHBondContact O-N 3.03Å; F823-V827 HydrophobicContact CD2-CB 3.83Å; F823-V827 HydrophobicContact CD2-CG1 4.26Å; F823-V827 HydrophobicContact CD2-CG2 3.73Å; F823-V827 HydrophobicContact CE2-CB 3.86Å; F823-V827 HydrophobicContact CE2-CG1 3.77Å; F823-V827 HydrophobicContact CE2-CG2 4.04Å; F823-V827 HydrophobicContact CZ-CG1 4.34Å; F823-V827 WeakPolarHBondContact O-CA 3.49Å; F823-V827 VanDerWaalsContact O-CB 3.29Å; F823-V827 WeakPolarHBondContact O-CB 3.49Å; F823-V827 PolarHBondContact O-N 2.87Å; F823-L828 HydrophobicContact CD1-CD1 4.11Å; F823-L828 HydrophobicContact CD1-CG 4.1Å; F823-L828 HydrophobicContact CE1-CD1 3.78Å; F823-L828 HydrophobicContact CE1-CD2 3.75Å; F823-L828 HydrophobicContact CE1-CG 3.7Å; F823-L828 HydrophobicContact CZ-CD2 3.87Å; F823-L828 HydrophobicContact CZ-CG 4.21Å; F823-L828 PolarHBondContact O-N 2.95Å
824	C	85.8	Confident	82.8	Confident	38 Å²	38	47.8 Å²	47.8	26%	0.257	23%	0.226	S	C	.	.	I	π-helix	trans	-58.5	-51.8	177.2	-75.1	0	0	0	0	112.3	L820 F821 I822 L828 M829	L820-C824 WeakPolarHBondContact O-CB 3.39Å; L820-C824 PolarHBondContact O-N 3.38Å; L820-C824 PolarHBondContact O-SG 2.87Å; L820-C824 VanDerWaalsContact O-SG 3.33Å; F821-C824 PolarHBondContact O-N 3.3Å; I822-C824 PolarHBondContact O-N 2.72Å; C824-L828 PolarHBondContact O-N 2.78Å; C824-M829 WeakPolarHBondContact O-CB 3.35Å; C824-M829 WeakPolarHBondContact O-CG 3.33Å; C824-M829 PolarHBondContact O-N 2.85Å
825	F	79.2	Confident	82.6	Confident	51 Å²	51	48.8 Å²	48.8	22%	0.224	23%	0.231	C	C	.	.	I	π-helix	trans	-71.9	-41.1	-178.4	-75.7	-66.1	0	0	0	113.1	I784 L788 F821 I822 M829	I784-F825 HydrophobicContact CB-CZ 4.16Å; I784-F825 HydrophobicContact CD1-CE1 4.25Å; I784-F825 HydrophobicContact CD1-CZ 4.24Å; I784-F825 HydrophobicContact CG2-CE1 4.39Å; I784-F825 HydrophobicContact CG2-CE2 3.75Å; I784-F825 HydrophobicContact CG2-CZ 3.49Å; I784-F825 VanDerWaalsContact CG2-CZ 3.49Å; L788-F825 HydrophobicContact CD1-CE2 4.22Å; F821-F825 WeakPolarHBondContact O-CD2 3.29Å; F821-F825 PolarHBondContact O-N 2.93Å; I822-F825 PolarHBondContact O-N 2.9Å; F825-M829 HydrophobicContact CD1-CE 3.98Å; F825-M829 HydrophobicContact CD1-SD 3.46Å; F825-M829 WeakPolarHBondContact CD1-SD 2.9Å; F825-M829 HydrophobicContact CE1-CE 3.87Å; F825-M829 HydrophobicContact CE1-SD 3.57Å; F825-M829 VanDerWaalsContact CE1-SD 3.57Å; F825-M829 HydrophobicContact CG-SD 4.32Å; F825-M829 HydrophobicContact CZ-SD 4.5Å
826	Q	77.5	Confident	82.4	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.079	23%	0.228	C	C	.	.	I	π-helix	trans	-88.9	-29	-170.8	-60.9	-165	18.3	0	0	114.2	F606 H620 I822 N830	F606-Q826 HydrophobicContact CZ-CB 4.01Å; F606-Q826 VanDerWaalsContact CZ-OE1 3.27Å; H620-Q826 PolarHBondContact CD2-OE1 2.77Å; H620-Q826 PolarHBondContact ND1-NE2 3.15Å; I822-Q826 HydrophobicContact CG2-CG 4.37Å; I822-Q826 VanDerWaalsContact O-CB 3.23Å; I822-Q826 WeakPolarHBondContact O-CB 3.44Å; I822-Q826 WeakPolarHBondContact O-CG 3.05Å; I822-Q826 PolarHBondContact O-N 2.99Å; Q826-N830 WeakPolarHBondContact O-CB 3.02Å; Q826-N830 PolarHBondContact O-ND2 2.87Å
827	V	84.4	Confident	82.2	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.036	24%	0.236	C	C	.	.	I	π-helix	trans	-106.9	-60.7	-179.1	-176.1	0	0	0	0	111.5	T602 T605 F823 N830 V833	T602-V827 HydrophobicContact CG2-CG2 4.2Å; T605-V827 HydrophobicContact CG2-CG1 4.39Å; T605-V827 HydrophobicContact CG2-CG2 4.35Å; F823-V827 HydrophobicContact CD2-CB 3.83Å; F823-V827 HydrophobicContact CD2-CG1 4.26Å; F823-V827 HydrophobicContact CD2-CG2 3.73Å; F823-V827 HydrophobicContact CE2-CB 3.86Å; F823-V827 HydrophobicContact CE2-CG1 3.77Å; F823-V827 HydrophobicContact CE2-CG2 4.04Å; F823-V827 HydrophobicContact CZ-CG1 4.34Å; F823-V827 WeakPolarHBondContact O-CA 3.49Å; F823-V827 VanDerWaalsContact O-CB 3.29Å; F823-V827 WeakPolarHBondContact O-CB 3.49Å; F823-V827 PolarHBondContact O-N 2.87Å; V827-N830 PolarHBondContact O-N 2.92Å; V827-V833 HydrophobicContact CB-CG1 4.32Å; V827-V833 HydrophobicContact CG1-CG1 3.78Å
828	L	84.4	Confident	82.1	Confident	87 Å²	87	53.9 Å²	53.9	46%	0.455	25%	0.25	S	C	.	.	I	π-helix	trans	-70.5	-43.8	-170.4	-59.3	-177.1	0	0	0	113.3	F823 C824 R834	F823-L828 HydrophobicContact CD1-CD1 4.11Å; F823-L828 HydrophobicContact CD1-CG 4.1Å; F823-L828 HydrophobicContact CE1-CD1 3.78Å; F823-L828 HydrophobicContact CE1-CD2 3.75Å; F823-L828 HydrophobicContact CE1-CG 3.7Å; F823-L828 HydrophobicContact CZ-CD2 3.87Å; F823-L828 HydrophobicContact CZ-CG 4.21Å; F823-L828 PolarHBondContact O-N 2.95Å; C824-L828 PolarHBondContact O-N 2.78Å; L828-R834 PolarHBondContact O-NH1 3.45Å; L828-R834 VanDerWaalsContact O-NH1 3.15Å
829	M	78.3	Confident	81.8	Confident	84 Å²	84	58.2 Å²	58.2	41%	0.414	27%	0.271	S	S	.	.	S	Bend	trans	-80	-16.7	179.6	-67.6	178.3	66.5	0	0	113.1	F777 C824 F825 K831	F777-M829 HydrophobicContact CZ-CE 3.9Å; C824-M829 WeakPolarHBondContact O-CB 3.35Å; C824-M829 WeakPolarHBondContact O-CG 3.33Å; C824-M829 PolarHBondContact O-N 2.85Å; F825-M829 HydrophobicContact CD1-CE 3.98Å; F825-M829 HydrophobicContact CD1-SD 3.46Å; F825-M829 WeakPolarHBondContact CD1-SD 2.9Å; F825-M829 HydrophobicContact CE1-CE 3.87Å; F825-M829 HydrophobicContact CE1-SD 3.57Å; F825-M829 VanDerWaalsContact CE1-SD 3.57Å; F825-M829 HydrophobicContact CG-SD 4.32Å; F825-M829 HydrophobicContact CZ-SD 4.5Å; M829-K831 PolarHBondContact O-N 2.89Å
830	N	74.8	Confident	81.5	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.15	29%	0.29	C	S	.	.			trans	-82.8	100.5	-178.5	-173.7	-16.6	0	0	0	111.2	Q826 V827 K832 V833 R834	Q826-N830 WeakPolarHBondContact O-CB 3.02Å; Q826-N830 PolarHBondContact O-ND2 2.87Å; V827-N830 PolarHBondContact O-N 2.92Å; N830-K832 VanDerWaalsContact C-N 3.27Å; N830-K832 PolarHBondContact O-N 2.84Å; N830-K832 PolarHBondContact OD1-N 3.5Å; N830-V833 HydrophobicContact CB-CB 4.05Å; N830-V833 HydrophobicContact CB-CG2 3.98Å; N830-V833 VanDerWaalsContact ND2-CG2 3.31Å; N830-V833 WeakPolarHBondContact ND2-CG2 3.12Å; N830-V833 PolarHBondContact O-N 2.84Å; N830-R834 PolarHBondContact O-N 2.87Å
831	K	75.9	Confident	81.1	Confident	136 Å²	136	65.7 Å²	65.7	59%	0.591	30%	0.299	S	S	*	.	H	α-helix	trans	-51.5	-41.6	-178.4	-176.3	174.8	178.4	-177.8	0	113.1	M829 V833 R834 D835	M829-K831 PolarHBondContact O-N 2.89Å; K831-V833 VanDerWaalsContact C-N 3.32Å; K831-V833 PolarHBondContact O-N 2.84Å; K831-R834 PolarHBondContact O-N 3.1Å; K831-D835 VanDerWaalsContact CE-OD2 3.27Å; K831-D835 WeakPolarHBondContact CE-OD2 3.33Å; K831-D835 VanDerWaalsContact CG-OD2 3.25Å; K831-D835 WeakPolarHBondContact CG-OD2 3.48Å; K831-D835 WeakPolarHBondContact O-CB 3.47Å; K831-D835 PolarHBondContact O-N 3.43Å
832	K	76.1	Confident	80.8	Confident	153 Å²	153	65.9 Å²	65.9	67%	0.665	31%	0.305	S	S	*	.	H	α-helix	trans	-61.7	-40	178.9	-68.7	-170.7	175	-170.2	0	112.3	N830 G836	N830-K832 VanDerWaalsContact C-N 3.27Å; N830-K832 PolarHBondContact O-N 2.84Å; N830-K832 PolarHBondContact OD1-N 3.5Å; K832-G836 PolarHBondContact O-N 2.75Å
833	V	79.4	Confident	80.3	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-71.2	-44.6	179.4	174	0	0	0	0	110.5	T605 L612 V827 N830 K831 D835 G836 W837	T605-V833 HydrophobicContact CG2-CG1 3.47Å; T605-V833 VanDerWaalsContact CG2-CG1 3.47Å; L612-V833 HydrophobicContact CD1-CG2 3.8Å; L612-V833 HydrophobicContact CD2-CG2 3.92Å; V827-V833 HydrophobicContact CB-CG1 4.32Å; V827-V833 HydrophobicContact CG1-CG1 3.78Å; N830-V833 HydrophobicContact CB-CB 4.05Å; N830-V833 HydrophobicContact CB-CG2 3.98Å; N830-V833 VanDerWaalsContact ND2-CG2 3.31Å; N830-V833 WeakPolarHBondContact ND2-CG2 3.12Å; N830-V833 PolarHBondContact O-N 2.84Å; K831-V833 VanDerWaalsContact C-N 3.32Å; K831-V833 PolarHBondContact O-N 2.84Å; V833-D835 PolarHBondContact O-N 3.47Å; V833-G836 PolarHBondContact O-N 3.04Å; V833-W837 PolarHBondContact O-N 3.12Å
834	R	83.5	Confident	79.8	Confident	111 Å²	111	74.7 Å²	74.7	42%	0.419	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-41.5	176.5	-174.6	172.8	63.8	-143.9	9.8	112.6	L828 N830 K831 W837 K838	L828-R834 PolarHBondContact O-NH1 3.45Å; L828-R834 VanDerWaalsContact O-NH1 3.15Å; N830-R834 PolarHBondContact O-N 2.87Å; K831-R834 PolarHBondContact O-N 3.1Å; R834-W837 PolarHBondContact O-N 3.29Å; R834-K838 WeakPolarHBondContact O-CG 3.49Å; R834-K838 PolarHBondContact O-N 3.01Å
835	D	80.2	Confident	79.4	Confident	60 Å²	60	78.6 Å²	78.6	32%	0.321	36%	0.364	S	S	.	.	H	α-helix	trans	-70.9	-33	177.7	-64.5	-20.7	0	0	0	111.2	K831 V833 K838 M839	K831-D835 VanDerWaalsContact CE-OD2 3.27Å; K831-D835 WeakPolarHBondContact CE-OD2 3.33Å; K831-D835 VanDerWaalsContact CG-OD2 3.25Å; K831-D835 WeakPolarHBondContact CG-OD2 3.48Å; K831-D835 WeakPolarHBondContact O-CB 3.47Å; K831-D835 PolarHBondContact O-N 3.43Å; V833-D835 PolarHBondContact O-N 3.47Å; D835-K838 PolarHBondContact O-N 2.94Å; D835-K838 IonicContact OD1-NZ 2.7Å; D835-M839 WeakPolarHBondContact O-CB 3.27Å; D835-M839 PolarHBondContact O-N 2.86Å
836	G	80.2	Confident	78.8	Confident	7 Å²	7	81.3 Å²	81.3	7%	0.072	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-44.3	168.5	0	0	0	0	0	113.7	K832 V833 M839 W840	K832-G836 PolarHBondContact O-N 2.75Å; V833-G836 PolarHBondContact O-N 3.04Å; G836-M839 PolarHBondContact O-N 2.91Å; G836-W840 WeakPolarHBondContact O-CB 3.3Å; G836-W840 PolarHBondContact O-N 2.76Å
837	W	83.1	Confident	77.9	Confident	60 Å²	60	84.9 Å²	84.9	23%	0.227	40%	0.401	C	S	.	.	H	α-helix	trans	-62.5	-44	172.8	-89.9	111	0	0	0	112.1	T605 L608 F609 V833 R834 M839 W840 F841	T605-W837 WeakPolarHBondContact OG1-CZ2 3.22Å; T605-W837 PolarHBondContact OG1-NE1 3.16Å; T605-W837 VanDerWaalsContact OG1-NE1 3.11Å; L608-W837 HydrophobicContact CD1-CH2 4.36Å; F609-W837 AromaticContact CE2-CD1 3.92Å; F609-W837 AromaticContact CE2-CD2 3.96Å; F609-W837 HydrophobicContact CE2-CD2 3.96Å; F609-W837 AromaticContact CE2-CE2 3.88Å; F609-W837 HydrophobicContact CE2-CG 4.02Å; F609-W837 HydrophobicContact CE2-CZ2 4.48Å; F609-W837 AromaticContact CE2-NE1 3.85Å; F609-W837 HydrophobicContact CZ-CD2 4.17Å; F609-W837 HydrophobicContact CZ-CE3 4.48Å; F609-W837 HydrophobicContact CZ-CG 4.26Å; V833-W837 PolarHBondContact O-N 3.12Å; R834-W837 PolarHBondContact O-N 3.29Å; W837-M839 VanDerWaalsContact C-N 3.35Å; W837-M839 PolarHBondContact O-N 3.29Å; W837-W840 HydrophobicContact CE3-CD2 4.46Å; W837-W840 AromaticContact CE3-CE3 3.84Å; W837-W840 HydrophobicContact CE3-CE3 3.84Å; W837-W840 HydrophobicContact CE3-CZ3 4.37Å; W837-W840 HydrophobicContact CZ3-CD2 4.3Å; W837-W840 AromaticContact CZ3-CE3 3.68Å; W837-W840 HydrophobicContact CZ3-CE3 3.68Å; W837-W840 AromaticContact CZ3-CZ3 3.83Å; W837-W840 HydrophobicContact CZ3-CZ3 3.83Å; W837-W840 PolarHBondContact O-N 2.83Å; W837-F841 HydrophobicContact CD2-CE2 4.45Å; W837-F841 AromaticContact CE3-CD2 3.95Å; W837-F841 HydrophobicContact CE3-CD2 3.95Å; W837-F841 AromaticContact CE3-CE2 3.55Å; W837-F841 HydrophobicContact CE3-CE2 3.55Å; W837-F841 HydrophobicContact CE3-CZ 4.38Å; W837-F841 HydrophobicContact CZ3-CE2 4.03Å; W837-F841 HydrophobicContact CZ3-CZ 4.43Å; W837-F841 WeakPolarHBondContact O-CB 3.35Å; W837-F841 VanDerWaalsContact O-CD2 3.3Å; W837-F841 WeakPolarHBondContact O-CD2 3.41Å; W837-F841 PolarHBondContact O-N 2.88Å
838	K	83.2	Confident	76.1	Confident	120 Å²	120	95.3 Å²	95.3	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-55.7	-49.6	172.9	-75.7	174.9	176.6	-178.3	0	111.3	R834 D835 W840 F841 V842	R834-K838 WeakPolarHBondContact O-CG 3.49Å; R834-K838 PolarHBondContact O-N 3.01Å; D835-K838 PolarHBondContact O-N 2.94Å; D835-K838 IonicContact OD1-NZ 2.7Å; K838-W840 VanDerWaalsContact C-N 3.31Å; K838-W840 PolarHBondContact O-N 2.85Å; K838-F841 PolarHBondContact O-N 2.87Å; K838-V842 VanDerWaalsContact O-CG2 3.28Å; K838-V842 WeakPolarHBondContact O-CG2 3.35Å; K838-V842 PolarHBondContact O-N 3.19Å
839	M	77.7	Confident	74.3	Confident	110 Å²	110	95.6 Å²	95.6	54%	0.542	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-39.3	179	-169	-176.8	-66.5	0	0	111.9	D835 G836 W837 R843	D835-M839 WeakPolarHBondContact O-CB 3.27Å; D835-M839 PolarHBondContact O-N 2.86Å; G836-M839 PolarHBondContact O-N 2.91Å; W837-M839 VanDerWaalsContact C-N 3.35Å; W837-M839 PolarHBondContact O-N 3.29Å; M839-R843 WeakPolarHBondContact O-CB 3.46Å; M839-R843 PolarHBondContact O-N 2.8Å
840	W	80.4	Confident	72.5	Confident	104 Å²	104	96 Å²	96	39%	0.394	44%	0.436	S	S	.	.	H	α-helix	trans	-65.7	-49.6	174.4	-176.3	87.6	0	0	0	112.5	F609 G836 W837 K838 V842 R843 S844	F609-W840 HydrophobicContact CE1-CB 3.91Å; F609-W840 HydrophobicContact CE1-CG 4.36Å; F609-W840 HydrophobicContact CZ-CB 3.84Å; F609-W840 HydrophobicContact CZ-CG 4.26Å; G836-W840 WeakPolarHBondContact O-CB 3.3Å; G836-W840 PolarHBondContact O-N 2.76Å; W837-W840 HydrophobicContact CE3-CD2 4.46Å; W837-W840 AromaticContact CE3-CE3 3.84Å; W837-W840 HydrophobicContact CE3-CE3 3.84Å; W837-W840 HydrophobicContact CE3-CZ3 4.37Å; W837-W840 HydrophobicContact CZ3-CD2 4.3Å; W837-W840 AromaticContact CZ3-CE3 3.68Å; W837-W840 HydrophobicContact CZ3-CE3 3.68Å; W837-W840 AromaticContact CZ3-CZ3 3.83Å; W837-W840 HydrophobicContact CZ3-CZ3 3.83Å; W837-W840 PolarHBondContact O-N 2.83Å; K838-W840 VanDerWaalsContact C-N 3.31Å; K838-W840 PolarHBondContact O-N 2.85Å; W840-V842 PolarHBondContact O-N 2.93Å; W840-R843 PolarHBondContact O-N 2.87Å; W840-S844 WeakPolarHBondContact O-CB 3.31Å; W840-S844 PolarHBondContact O-N 2.03Å; W840-S844 PolarHBondContact O-OG 3.39Å
841	F	81.9	Confident	71.1	Confident	106 Å²	106	98.9 Å²	98.9	47%	0.465	46%	0.457	S	S	.	.	H	α-helix	trans	-57.6	-47	178.3	-91.7	-70.9	0	0	0	111.9	W837 K838 R843 S844 L845	W837-F841 HydrophobicContact CD2-CE2 4.45Å; W837-F841 AromaticContact CE3-CD2 3.95Å; W837-F841 HydrophobicContact CE3-CD2 3.95Å; W837-F841 AromaticContact CE3-CE2 3.55Å; W837-F841 HydrophobicContact CE3-CE2 3.55Å; W837-F841 HydrophobicContact CE3-CZ 4.38Å; W837-F841 HydrophobicContact CZ3-CE2 4.03Å; W837-F841 HydrophobicContact CZ3-CZ 4.43Å; W837-F841 WeakPolarHBondContact O-CB 3.35Å; W837-F841 VanDerWaalsContact O-CD2 3.3Å; W837-F841 WeakPolarHBondContact O-CD2 3.41Å; W837-F841 PolarHBondContact O-N 2.88Å; K838-F841 PolarHBondContact O-N 2.87Å; F841-R843 PolarHBondContact O-N 2.82Å; F841-S844 PolarHBondContact O-N 3.47Å; F841-L845 WeakPolarHBondContact O-CB 3.29Å; F841-L845 WeakPolarHBondContact O-CG 3.39Å; F841-L845 PolarHBondContact O-N 2.88Å
842	V	78	Confident	69.4	Low	61 Å²	61	95.6 Å²	95.6	37%	0.37	45%	0.446	S	S	.	.	H	α-helix	trans	-64.6	-41.7	178.6	-179.5	0	0	0	0	110.7	K838 W840 S844 F846 W850	K838-V842 VanDerWaalsContact O-CG2 3.28Å; K838-V842 WeakPolarHBondContact O-CG2 3.35Å; K838-V842 PolarHBondContact O-N 3.19Å; W840-V842 PolarHBondContact O-N 2.93Å; V842-S844 PolarHBondContact O-N 2.83Å; V842-F846 HydrophobicContact CG1-CD2 4.46Å; V842-F846 WeakPolarHBondContact O-CB 3.35Å; V842-F846 PolarHBondContact O-N 3.24Å; V842-W850 HydrophobicContact CB-CZ2 4.48Å; V842-W850 HydrophobicContact CG1-CZ2 3.88Å; V842-W850 VanDerWaalsContact CG1-NE1 3.26Å
843	R	74.5	Confident	67.9	Low	166 Å²	166	94 Å²	94	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-70	-28.9	178.7	-166.1	173.8	-174.5	169.1	3.1	113.5	M839 W840 F841	M839-R843 WeakPolarHBondContact O-CB 3.46Å; M839-R843 PolarHBondContact O-N 2.8Å; W840-R843 PolarHBondContact O-N 2.87Å; F841-R843 PolarHBondContact O-N 2.82Å
844	S	77.9	Confident	66	Low	63 Å²	63	101.3 Å²	101.3	44%	0.441	48%	0.475	S	S	.	.	H	α-helix	trans	-81.6	-35.3	176.2	-74.7	0	0	0	0	113.2	W840 F841 V842	W840-S844 WeakPolarHBondContact O-CB 3.31Å; W840-S844 PolarHBondContact O-N 2.03Å; W840-S844 PolarHBondContact O-OG 3.39Å; F841-S844 PolarHBondContact O-N 3.47Å; V842-S844 PolarHBondContact O-N 2.83Å
845	L	76.5	Confident	63.6	Low	121 Å²	121	105.1 Å²	105.1	63%	0.634	49%	0.491	S	S	*	.	H	α-helix	trans	-80.7	-34	177.2	-69.7	168.8	0	0	0	112.5	F841 P847	F841-L845 WeakPolarHBondContact O-CB 3.29Å; F841-L845 WeakPolarHBondContact O-CG 3.39Å; F841-L845 PolarHBondContact O-N 2.88Å; L845-P847 WeakPolarHBondContact O-CD 2.95Å
846	F	67.5	Low	61.6	Low	108 Å²	108	109.8 Å²	109.8	47%	0.474	50%	0.504	S	S	.	.			trans	-122.8	59.4	-176.6	-59.5	-82.9	0	0	0	113.1	V842 R848 E849	V842-F846 HydrophobicContact CG1-CD2 4.46Å; V842-F846 WeakPolarHBondContact O-CB 3.35Å; V842-F846 PolarHBondContact O-N 3.24Å; F846-R848 PolarHBondContact O-N 3.08Å; F846-E849 HydrophobicContact CB-CB 4.45Å; F846-E849 WeakPolarHBondContact CD1-OE2 3.15Å; F846-E849 PolarHBondContact O-N 3.44Å
847	P	57.4	Low	59.5	Low	92 Å²	92	112 Å²	112	60%	0.597	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.5	-174.3	27	-35.6	0	0	0	114.4	L845	L845-P847 WeakPolarHBondContact O-CD 2.95Å
848	R	47.9	Very low	57.3	Low	224 Å²	224	112.9 Å²	112.9	85%	0.845	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-23.1	-179.7	-79.6	-174.8	170.5	-177.5	-2.6	114.7	F846 S851	F846-R848 PolarHBondContact O-N 3.08Å; R848-S851 PolarHBondContact O-OG 3.23Å
849	E	44.9	Very low	55.1	Low	94 Å²	94	116.9 Å²	116.9	44%	0.439	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	-36.4	-177.7	-82.5	172.4	146.4	0	0	111.6	F846 S851 N852 Q853	F846-E849 HydrophobicContact CB-CB 4.45Å; F846-E849 WeakPolarHBondContact CD1-OE2 3.15Å; F846-E849 PolarHBondContact O-N 3.44Å; E849-S851 VanDerWaalsContact C-N 3.29Å; E849-S851 PolarHBondContact O-N 3.33Å; E849-N852 PolarHBondContact O-N 2.94Å; E849-Q853 PolarHBondContact O-N 3.1Å
850	W	42.3	Very low	53.4	Low	93 Å²	93	115.5 Å²	115.5	35%	0.352	56%	0.561	S	S	.	*	H	α-helix	trans	-66.1	-22.1	-177.9	-82	69.8	0	0	0	115.4	V842 N852	V842-W850 HydrophobicContact CB-CZ2 4.48Å; V842-W850 HydrophobicContact CG1-CZ2 3.88Å; V842-W850 VanDerWaalsContact CG1-NE1 3.26Å; W850-N852 VanDerWaalsContact C-N 3.32Å
851	S	43.7	Very low	51.2	Low	87 Å²	87	113.7 Å²	113.7	61%	0.608	56%	0.563	S	S	*	*	H	α-helix	trans	-77.4	-16.6	172.5	64.6	0	0	0	0	113.6	R848 E849	R848-S851 PolarHBondContact O-OG 3.23Å; E849-S851 VanDerWaalsContact C-N 3.29Å; E849-S851 PolarHBondContact O-N 3.33Å
852	N	40.6	Very low	49.1	Very low	67 Å²	67	113.9 Å²	113.9	36%	0.358	59%	0.585	S	S	.	*	H	α-helix	trans	-112.4	-36.5	-179	-81	-76.6	0	0	0	113.4	E849 W850 Q854 Y855 R856	E849-N852 PolarHBondContact O-N 2.94Å; W850-N852 VanDerWaalsContact C-N 3.32Å; N852-Q854 PolarHBondContact O-N 2.97Å; N852-Y855 PolarHBondContact O-N 3.37Å; N852-R856 WeakPolarHBondContact O-CB 3.19Å; N852-R856 WeakPolarHBondContact O-CG 3.23Å; N852-R856 PolarHBondContact O-N 2.96Å; N852-R856 VanDerWaalsContact OD1-CZ 3.31Å; N852-R856 PolarHBondContact OD1-NE 3.02Å; N852-R856 PolarHBondContact OD1-NH2 3.44Å
853	Q	44.5	Very low	47.1	Very low	119 Å²	119	119 Å²	119	56%	0.556	61%	0.605	S	S	*	*	H	α-helix	trans	-68.2	-34.1	-173.7	-111.4	157	-11.1	0	0	113.5	E849 Y855 G857	E849-Q853 PolarHBondContact O-N 3.1Å; Q853-Y855 PolarHBondContact O-N 3.39Å; Q853-G857 PolarHBondContact O-N 2.98Å; Q853-G857 VanDerWaalsContact O-N 3.15Å
854	Q	40.2	Very low	45.5	Very low	154 Å²	154	114.7 Å²	114.7	72%	0.72	60%	0.599	S	S	*	*	H	α-helix	trans	-77.9	-7.7	179.2	-153.3	161.9	-3.8	0	0	113.5	N852	N852-Q854 PolarHBondContact O-N 2.97Å
855	Y	33.4	Very low	43.7	Very low	191 Å²	191	119.2 Å²	119.2	75%	0.749	62%	0.619	S	S	*	*	H	α-helix	trans	-116.2	-24.8	175.1	-112.5	-91.9	0	0	0	114.2	N852 Q853 Y859	N852-Y855 PolarHBondContact O-N 3.37Å; Q853-Y855 PolarHBondContact O-N 3.39Å; Y855-Y859 WeakPolarHBondContact O-CD2 3.38Å
856	R	38	Very low	41.8	Very low	159 Å²	159	117.6 Å²	117.6	60%	0.6	63%	0.631	S	S	*	*	H	α-helix	trans	-95.3	-23.3	178.2	-62.9	-171.2	-166	-140.8	2.2	114.1	N852 C858 Y859 A860	N852-R856 WeakPolarHBondContact O-CB 3.19Å; N852-R856 WeakPolarHBondContact O-CG 3.23Å; N852-R856 PolarHBondContact O-N 2.96Å; N852-R856 VanDerWaalsContact OD1-CZ 3.31Å; N852-R856 PolarHBondContact OD1-NE 3.02Å; N852-R856 PolarHBondContact OD1-NH2 3.44Å; R856-C858 VanDerWaalsContact C-N 3.29Å; R856-C858 PolarHBondContact O-N 2.81Å; R856-C858 VanDerWaalsContact O-N 3.14Å; R856-Y859 PolarHBondContact O-N 2.91Å; R856-Y859 VanDerWaalsContact O-N 3.17Å; R856-A860 HydrophobicContact CB-CB 4.43Å; R856-A860 VanDerWaalsContact O-CB 3.25Å; R856-A860 WeakPolarHBondContact O-CB 3.48Å; R856-A860 PolarHBondContact O-N 2.69Å; R856-A860 VanDerWaalsContact O-N 3.12Å
857	G	37	Very low	40.4	Very low	52 Å²	52	114.4 Å²	114.4	54%	0.536	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.6	-31.5	-169.2	0	0	0	0	0	116.2	Q853	Q853-G857 PolarHBondContact O-N 2.98Å; Q853-G857 VanDerWaalsContact O-N 3.15Å
858	C	36.5	Very low	39.6	Very low	79 Å²	79	118.9 Å²	118.9	53%	0.534	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	-11.3	178.2	-63.1	0	0	0	0	114.2	R856	R856-C858 VanDerWaalsContact C-N 3.29Å; R856-C858 PolarHBondContact O-N 2.81Å; R856-C858 VanDerWaalsContact O-N 3.14Å
859	Y	36.9	Very low	39.3	Very low	205 Å²	205	115.1 Å²	115.1	80%	0.804	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-7.6	-176.7	-72.2	-80.2	0	0	0	113.6	Y855 R856	Y855-Y859 WeakPolarHBondContact O-CD2 3.38Å; R856-Y859 PolarHBondContact O-N 2.91Å; R856-Y859 VanDerWaalsContact O-N 3.17Å
860	A	40.5	Very low	39	Very low	81 Å²	81	112.5 Å²	112.5	67%	0.669	63%	0.626	S	S	*	*	S	Bend	trans	-113.1	15.1	-170.4	0	0	0	0	0	115.4	R856	R856-A860 HydrophobicContact CB-CB 4.43Å; R856-A860 VanDerWaalsContact O-CB 3.25Å; R856-A860 WeakPolarHBondContact O-CB 3.48Å; R856-A860 PolarHBondContact O-N 2.69Å; R856-A860 VanDerWaalsContact O-N 3.12Å
861	S	34.9	Very low	39.2	Very low	65 Å²	65	117.3 Å²	117.3	46%	0.455	64%	0.644	S	S	.	*			trans	-138.5	87.8	174.3	67	0	0	0	0	112.6	E863	S861-E863 PolarHBondContact O-N 3.34Å
862	A	37.1	Very low	39.3	Very low	111 Å²	111	119.2 Å²	119.2	92%	0.917	64%	0.643	S	S	*	*	S	Bend	trans	-72.3	-0.2	164.6	0	0	0	0	0	112.9
863	E	37.3	Very low	39.4	Very low	169 Å²	169	119.1 Å²	119.1	79%	0.79	65%	0.652	S	S	*	*			trans	-132.5	44.2	-167.9	-63.3	179.5	133.1	0	0	113	S861 N865	S861-E863 PolarHBondContact O-N 3.34Å; E863-N865 PolarHBondContact O-N 3.22Å
864	C	40.4	Very low	39.3	Very low	75 Å²	75	115.6 Å²	115.6	51%	0.507	64%	0.64	S	S	.	*			trans	-76.9	67.2	167.7	-112	0	0	0	0	111.7	G866 C870	C864-G866 PolarHBondContact O-N 3.16Å; C864-C870 HydrophobicContact CB-CB 4.17Å; C864-C870 WeakPolarHBondContact CB-SG 3.45Å; C864-C870 WeakPolarHBondContact SG-CB 3.37Å; C864-C870 CovalentContact SG-SG 2.06Å; C864-C870 PolarHBondContact SG-SG 2.82Å
865	N	40.9	Very low	39.5	Very low	158 Å²	158	111.2 Å²	111.2	85%	0.845	63%	0.626	S	S	*	*			trans	-73.4	118.4	170	-87.1	-32.7	0	0	0	111	E863 G867	E863-N865 PolarHBondContact O-N 3.22Å; N865-G867 PolarHBondContact O-N 3.42Å
866	G	36.3	Very low	40	Very low	87 Å²	87	110.2 Å²	110.2	90%	0.897	63%	0.626	S	S	*	*	S	Bend	trans	90.7	-17.9	156.7	0	0	0	0	0	119.5	C864	C864-G866 PolarHBondContact O-N 3.16Å
867	G	37.1	Very low	40.2	Very low	40 Å²	40	107.5 Å²	107.5	41%	0.412	62%	0.62	S	S	.	*			trans	-86.9	113.1	-174.7	0	0	0	0	0	115.4	N865 L869 C870	N865-G867 PolarHBondContact O-N 3.42Å; G867-L869 PolarHBondContact O-N 3.23Å; G867-C870 PolarHBondContact O-N 3.04Å; G867-C870 VanDerWaalsContact O-N 3.11Å
868	K	41.7	Very low	40.4	Very low	186 Å²	186	111.3 Å²	111.3	81%	0.809	62%	0.624	S	S	*	*	H	α-helix	trans	-51.4	-40.4	171.9	-87.7	-172	174.6	-176.5	0	112.7	C870 R871 E872	K868-C870 VanDerWaalsContact C-N 3.34Å; K868-C870 PolarHBondContact O-N 2.88Å; K868-R871 PolarHBondContact O-N 3.4Å; K868-E872 PolarHBondContact O-N 3.48Å
869	L	41.1	Very low	40.4	Very low	146 Å²	146	111.3 Å²	111.3	76%	0.764	63%	0.629	S	S	*	*	H	α-helix	trans	-60.5	-36.2	179.1	-119.7	75.3	0	0	0	113.8	G867 R871 A873	G867-L869 PolarHBondContact O-N 3.23Å; L869-R871 VanDerWaalsContact C-N 3.31Å; L869-R871 PolarHBondContact O-N 3.26Å; L869-A873 PolarHBondContact O-N 2.88Å
870	C	39.3	Very low	40.3	Very low	39 Å²	39	109.4 Å²	109.4	26%	0.264	62%	0.622	S	S	.	*	H	α-helix	trans	-66.4	-37	178.7	-173.1	0	0	0	0	110.9	C864 G867 K868 C874	C864-C870 HydrophobicContact CB-CB 4.17Å; C864-C870 WeakPolarHBondContact CB-SG 3.45Å; C864-C870 WeakPolarHBondContact SG-CB 3.37Å; C864-C870 CovalentContact SG-SG 2.06Å; C864-C870 PolarHBondContact SG-SG 2.82Å; G867-C870 PolarHBondContact O-N 3.04Å; G867-C870 VanDerWaalsContact O-N 3.11Å; K868-C870 VanDerWaalsContact C-N 3.34Å; K868-C870 PolarHBondContact O-N 2.88Å; C870-C874 PolarHBondContact O-N 3.19Å
871	R	45.1	Very low	40.1	Very low	194 Å²	194	109 Å²	109	73%	0.732	61%	0.608	S	S	*	*	H	α-helix	trans	-72.2	-34.8	-177	-162.9	177.7	-75.8	-169.3	-3.7	112.8	K868 L869 S875	K868-R871 PolarHBondContact O-N 3.4Å; L869-R871 VanDerWaalsContact C-N 3.31Å; L869-R871 PolarHBondContact O-N 3.26Å; R871-S875 WeakPolarHBondContact O-CB 3.42Å; R871-S875 PolarHBondContact O-N 3.14Å; R871-S875 VanDerWaalsContact O-N 3.1Å; R871-S875 PolarHBondContact O-OG 3.49Å
872	E	47	Very low	40.1	Very low	126 Å²	126	108.3 Å²	108.3	59%	0.589	61%	0.606	S	S	*	*	H	α-helix	trans	-77.4	-29.2	176.8	-70.1	-174.3	131.6	0	0	114	K868 S875	K868-E872 PolarHBondContact O-N 3.48Å; E872-S875 PolarHBondContact O-OG 2.91Å
873	A	41.5	Very low	40.1	Very low	65 Å²	65	110.1 Å²	110.1	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-68.4	-45.4	173.4	0	0	0	0	0	111.2	L869	L869-A873 PolarHBondContact O-N 2.88Å
874	C	42.7	Very low	40	Very low	46 Å²	46	106.7 Å²	106.7	31%	0.311	58%	0.582	S	S	.	*	H	α-helix	trans	-72.9	-34.6	178.6	-74.3	0	0	0	0	113.9	C870 K876 Q877 Q878	C870-C874 PolarHBondContact O-N 3.19Å; C874-K876 VanDerWaalsContact C-N 3.34Å; C874-K876 PolarHBondContact O-N 3.01Å; C874-Q877 PolarHBondContact O-N 3.35Å; C874-Q877 VanDerWaalsContact O-N 3.08Å; C874-Q878 PolarHBondContact O-N 3.15Å
875	S	43.9	Very low	39.7	Very low	61 Å²	61	110.1 Å²	110.1	43%	0.427	59%	0.591	S	S	.	*	H	α-helix	trans	-64.6	-36.5	-177.5	67.4	0	0	0	0	113.1	R871 E872 Q877 Q878 A879	R871-S875 WeakPolarHBondContact O-CB 3.42Å; R871-S875 PolarHBondContact O-N 3.14Å; R871-S875 VanDerWaalsContact O-N 3.1Å; R871-S875 PolarHBondContact O-OG 3.49Å; E872-S875 PolarHBondContact O-OG 2.91Å; S875-Q877 VanDerWaalsContact C-N 3.3Å; S875-Q877 PolarHBondContact O-N 3.22Å; S875-Q878 PolarHBondContact O-N 3.04Å; S875-A879 PolarHBondContact O-N 3.12Å
876	K	45	Very low	39.3	Very low	170 Å²	170	109.4 Å²	109.4	74%	0.739	59%	0.587	S	S	*	*	H	α-helix	trans	-69.4	-25.4	173.8	-74	175.2	179	164.6	0	113.2	C874	C874-K876 VanDerWaalsContact C-N 3.34Å; C874-K876 PolarHBondContact O-N 3.01Å
877	Q	42.4	Very low	39.2	Very low	103 Å²	103	108.5 Å²	108.5	48%	0.481	57%	0.571	S	S	.	*	H	α-helix	trans	-84	-36.6	175.6	-142.5	80.7	8.4	0	0	112	C874 S875 A879 Y880 N881	C874-Q877 PolarHBondContact O-N 3.35Å; C874-Q877 VanDerWaalsContact O-N 3.08Å; S875-Q877 VanDerWaalsContact C-N 3.3Å; S875-Q877 PolarHBondContact O-N 3.22Å; Q877-A879 PolarHBondContact O-N 3.26Å; Q877-Y880 PolarHBondContact O-N 2.83Å; Q877-N881 PolarHBondContact O-N 2.57Å; Q877-N881 VanDerWaalsContact O-N 3.13Å
878	Q	40.4	Very low	38.9	Very low	132 Å²	132	116.7 Å²	116.7	62%	0.617	59%	0.591	S	S	*	*	H	α-helix	trans	-66.7	-33.3	177.9	-81.9	-178.7	-50.6	0	0	113	C874 S875 Y880 N881 A882	C874-Q878 PolarHBondContact O-N 3.15Å; S875-Q878 PolarHBondContact O-N 3.04Å; Q878-Y880 PolarHBondContact O-N 3.1Å; Q878-N881 PolarHBondContact O-N 2.03Å; Q878-A882 VanDerWaalsContact O-CB 3.26Å; Q878-A882 WeakPolarHBondContact O-CB 3.27Å; Q878-A882 PolarHBondContact O-N 2.82Å
879	A	37.2	Very low	38.3	Very low	78 Å²	78	112.8 Å²	112.8	65%	0.645	59%	0.586	S	S	*	*	H	α-helix	trans	-61	-24.8	173.4	0	0	0	0	0	113.4	S875 Q877	S875-A879 PolarHBondContact O-N 3.12Å; Q877-A879 PolarHBondContact O-N 3.26Å
880	Y	33.8	Very low	37.8	Very low	166 Å²	166	114.3 Å²	114.3	65%	0.651	59%	0.589	S	S	*	*	H	α-helix	trans	-88.3	-37.6	175.5	-166	-110.7	0	0	0	111.9	Q877 Q878	Q877-Y880 PolarHBondContact O-N 2.83Å; Q878-Y880 PolarHBondContact O-N 3.1Å
881	N	37.3	Very low	37.5	Very low	72 Å²	72	120.4 Å²	120.4	39%	0.385	62%	0.618	S	S	.	*	H	α-helix	trans	-81.9	-19.1	-179	-69.3	-3.3	0	0	0	114.3	Q877 Q878 H883 L884 Q885	Q877-N881 PolarHBondContact O-N 2.57Å; Q877-N881 VanDerWaalsContact O-N 3.13Å; Q878-N881 PolarHBondContact O-N 2.03Å; N881-H883 PolarHBondContact O-N 3.01Å; N881-L884 PolarHBondContact O-N 3.43Å; N881-L884 VanDerWaalsContact O-N 3.08Å; N881-Q885 PolarHBondContact O-N 3.07Å
882	A	34.2	Very low	37.1	Very low	50 Å²	50	114.3 Å²	114.3	41%	0.413	62%	0.617	S	S	.	*	H	α-helix	trans	-64.2	-24.5	175.7	0	0	0	0	0	113	Q878	Q878-A882 VanDerWaalsContact O-CB 3.26Å; Q878-A882 WeakPolarHBondContact O-CB 3.27Å; Q878-A882 PolarHBondContact O-N 2.82Å
883	H	37	Very low	36.4	Very low	149 Å²	149	115.8 Å²	115.8	69%	0.69	63%	0.628	S	S	*	*	H	α-helix	trans	-73.4	-33.6	171.7	-117.3	-95.2	0	0	0	112.5	N881	N881-H883 PolarHBondContact O-N 3.01Å
884	L	36.4	Very low	36	Very low	98 Å²	98	117.5 Å²	117.5	51%	0.513	64%	0.643	S	S	.	*	H	α-helix	trans	-80.2	-32.2	179	-104.7	75.2	0	0	0	113.8	N881 N886 A887	N881-L884 PolarHBondContact O-N 3.43Å; N881-L884 VanDerWaalsContact O-N 3.08Å; L884-N886 VanDerWaalsContact C-N 3.32Å; L884-N886 PolarHBondContact O-N 2.92Å; L884-A887 PolarHBondContact O-N 2.97Å
885	Q	33.2	Very low	35.5	Very low	147 Å²	147	123 Å²	123	69%	0.687	67%	0.668	S	S	*	*	H	α-helix	trans	-71.9	-26.1	178.2	-75.8	-173.3	-66.3	0	0	113.1	N881 A887	N881-Q885 PolarHBondContact O-N 3.07Å; Q885-A887 VanDerWaalsContact C-N 3.26Å; Q885-A887 PolarHBondContact O-N 2.85Å
886	N	32.4	Very low	34.8	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-4.9	173.3	-71.7	-16	0	0	0	113.6	L884	L884-N886 VanDerWaalsContact C-N 3.32Å; L884-N886 PolarHBondContact O-N 2.92Å
887	A	34.8	Very low	34.1	Very low	68 Å²	68	124.1 Å²	124.1	56%	0.562	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-10.9	-179.9	0	0	0	0	0	114.3	L884 Q885	L884-A887 PolarHBondContact O-N 2.97Å; Q885-A887 VanDerWaalsContact C-N 3.26Å; Q885-A887 PolarHBondContact O-N 2.85Å
888	Y	31.4	Very low	33.7	Very low	212 Å²	212	125.9 Å²	125.9	83%	0.831	71%	0.714	S	S	*	*	S	Bend	trans	-127.9	5	-174.2	-81.6	-79.1	0	0	0	115.6
889	C	27.9	Very low	33.1	Very low	104 Å²	104	129.5 Å²	129.5	70%	0.703	73%	0.727	S	S	*	*			trans	-109.3	93.6	167.9	-69.5	0	0	0	0	109.4	N891	C889-N891 PolarHBondContact O-N 3.18Å
890	H	31.7	Very low	32.8	Very low	179 Å²	179	131.6 Å²	131.6	83%	0.829	73%	0.732	S	S	*	*			trans	-67.3	129.7	169.2	-135.7	-87.1	0	0	0	108.6	G892	H890-G892 PolarHBondContact O-N 3.39Å
891	N	33.2	Very low	32.7	Very low	166 Å²	166	128.7 Å²	128.7	89%	0.888	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	103.9	174.1	-74.3	-41.3	0	0	0	109	C889	C889-N891 PolarHBondContact O-N 3.18Å
892	G	35.2	Very low	32.5	Very low	67 Å²	67	131.7 Å²	131.7	69%	0.691	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.3	-46.3	-178.3	0	0	0	0	0	114.7	H890 A894	H890-G892 PolarHBondContact O-N 3.39Å; G892-A894 PolarHBondContact O-N 2.68Å
893	D	32.5	Very low	32.3	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	78%	0.777	S	S	*	*			trans	-94.3	105.6	-166.7	-66.1	-34.5	0	0	0	114	L895	D893-L895 PolarHBondContact O-N 3.18Å; D893-L895 VanDerWaalsContact O-N 3.08Å
894	A	32.7	Very low	32.1	Very low	101 Å²	101	132.1 Å²	132.1	84%	0.835	79%	0.785	S	S	*	*			trans	-81.6	77.1	-177.6	0	0	0	0	0	112.9	G892	G892-A894 PolarHBondContact O-N 2.68Å
895	L	32	Very low	31.7	Very low	162 Å²	162	134.3 Å²	134.3	85%	0.848	80%	0.795	S	S	*	*			trans	-156.1	57.8	175.2	-116.4	151.1	0	0	0	115.3	D893	D893-L895 PolarHBondContact O-N 3.18Å; D893-L895 VanDerWaalsContact O-N 3.08Å
896	C	29.3	Very low	31.6	Very low	140 Å²	140	132.9 Å²	132.9	95%	0.946	80%	0.799	S	S	*	*			trans	-163	68.1	157.2	-105.9	0	0	0	0	113.7
897	S	31.2	Very low	31.4	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	80%	0.802	S	S	*	*			trans	-149.8	99.6	158.3	-174.2	0	0	0	0	111.1
898	T	33.1	Very low	31.2	Very low	140 Å²	140	135 Å²	135	86%	0.859	81%	0.808	S	S	*	*			trans	-168.7	123.4	146.4	19.3	0	0	0	0	109.7
899	K	28.1	Very low	31.3	Very low	208 Å²	208	135.1 Å²	135.1	90%	0.904	81%	0.813	S	S	*	*			trans	-85.7	128.6	163.8	-77.8	176.5	173.3	175.7	0	109.1
900	T	32	Very low	31.3	Very low	121 Å²	121	135.3 Å²	135.3	74%	0.742	82%	0.816	S	S	*	*			trans	-168.8	104.6	150.5	27.3	0	0	0	0	105.9
901	S	30.9	Very low	31.2	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	82%	0.816	S	S	*	*				64.3	121.4	82.8	72.6	0	0	0	0	114.4
902	S	33.2	Very low	31.1	Very low	136 Å²	136	128.4 Å²	128.4	95%	0.951	81%	0.813	S	S	*	*			trans	75	131.9	175.6	-164	0	0	0	0	116.5
903	G	30.9	Very low	30.9	Very low	68 Å²	68	131 Å²	131	70%	0.701	82%	0.818	S	S	*	*			trans	137.7	90.2	166.9	0	0	0	0	0	115.6
904	T	32.9	Very low	30.5	Very low	140 Å²	140	129 Å²	129	86%	0.859	82%	0.815	S	S	*	*			trans	-32.3	142.1	163.3	39.8	0	0	0	0	118.2
905	I	27.5	Very low	30.3	Very low	144 Å²	144	134.2 Å²	134.2	74%	0.738	82%	0.819	S	S	*	*			trans	-58.9	151	168.7	-54.1	156.8	0	0	0	111.3
906	P	30.7	Very low	30.2	Very low	117 Å²	117	133.2 Å²	133.2	76%	0.76	81%	0.814	S	S	*	*				-134.3	145.9	119	23	-5.4	0	0	0	114.1	S908	P906-S908 PolarHBondContact O-N 3.19Å
907	D	28	Very low	30.3	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	81%	0.81	S	S	*	*			trans	-70.4	118.6	174.4	-59.3	-77.5	0	0	0	112.2
908	S	30.8	Very low	30.2	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	81%	0.806	S	S	*	*			trans	-162.5	96.6	157.1	54.8	0	0	0	0	112.6	P906	P906-S908 PolarHBondContact O-N 3.19Å
909	F	33	Very low	30	Very low	215 Å²	215	132.2 Å²	132.2	94%	0.943	80%	0.799	S	S	*	*				-174.2	98.2	125.3	-113.3	-79.5	0	0	0	109.6
910	S	29.5	Very low	30.1	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	79%	0.787	S	S	*	*			trans	-80.8	143.3	175.5	58.9	0	0	0	0	112
911	A	28.7	Very low	30	Very low	101 Å²	101	132.3 Å²	132.3	84%	0.835	80%	0.797	S	S	*	*			trans	54.3	106.5	141.7	0	0	0	0	0	119.6
912	A	30.2	Very low	29.8	Very low	100 Å²	100	130.9 Å²	130.9	83%	0.826	80%	0.799	S	S	*	*			trans	-140.3	145.9	135.3	0	0	0	0	0	109.4
913	P	31.3	Very low	29.4	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	80%	0.796	S	S	*	*			trans	-115.7	-180	-156.9	38.6	-25.1	0	0	0	115.4
914	C	23.6	Very low	29.4	Very low	115 Å²	115	142.9 Å²	142.9	78%	0.777	81%	0.808	S	S	*	*			trans	-19.7	135.8	173	-56.7	0	0	0	0	118.5
915	F	29.7	Very low	29.1	Very low	209 Å²	209	142.6 Å²	142.6	92%	0.917	80%	0.797	S	S	*	*			trans	-132.8	143.7	143.3	-115.2	-88.3	0	0	0	111.4
916	L	29.2	Very low	29.2	Very low	142 Å²	142	145 Å²	145	74%	0.743	80%	0.797	S	S	*	*			trans	-83.6	146	-170.9	-66.1	94.4	0	0	0	112.8	T918	L916-T918 HydrophobicContact CD2-CG2 3.96Å
917	A	32	Very low	29	Very low	105 Å²	105	143.4 Å²	143.4	87%	0.868	79%	0.794	S	S	*	*			trans	-127.5	106.5	149.7	0	0	0	0	0	108.5
918	T	28.5	Very low	28.8	Very low	115 Å²	115	143.4 Å²	143.4	71%	0.706	79%	0.793	S	S	*	*			trans	-103.8	115.2	176.8	49.4	0	0	0	0	110.5	L916	L916-T918 HydrophobicContact CD2-CG2 3.96Å
919	E	30.1	Very low	28.7	Very low	152 Å²	152	149.9 Å²	149.9	71%	0.71	80%	0.804	S	S	*	*			trans	-168.6	146.5	138.5	-110.6	-155.3	123.4	0	0	113.5
920	K	29.6	Very low	28.5	Very low	152 Å²	152	147.1 Å²	147.1	66%	0.661	80%	0.799	S	S	*	*			trans	71.2	119.8	153.8	-71.4	164.4	178	132.8	0	121.1
921	L	29	Very low	28.6	Very low	179 Å²	179	148.1 Å²	148.1	94%	0.937	80%	0.802	S	S	*	*			trans	71	127.9	148.9	-74.9	149.2	0	0	0	119.4
922	G	27.5	Very low	28.8	Very low	75 Å²	75	154.2 Å²	154.2	77%	0.773	80%	0.804	S	S	*	*			trans	137.5	6.4	151.9	0	0	0	0	0	120	R924	G922-R924 PolarHBondContact O-N 2.98Å
923	K	25.5	Very low	29.1	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.896	80%	0.803	S	S	*	*			trans	-53.6	123.5	175.7	-73.8	-175.2	178.2	-178.3	0	111.9
924	R	30.4	Very low	29	Very low	251 Å²	251	154.3 Å²	154.3	95%	0.947	80%	0.801	S	S	*	*			trans	-154.9	124.5	133.7	-117.4	172.9	-169.2	-179.8	4.4	112.6	G922	G922-R924 PolarHBondContact O-N 2.98Å
925	E	27.5	Very low	29.4	Very low	134 Å²	134	156 Å²	156	63%	0.626	81%	0.807	S	S	*	*			trans	-155.5	157.5	-161.7	-152.3	178.4	178.6	0	0	107.1
926	Y	28.2	Very low	29.3	Very low	193 Å²	193	157.2 Å²	157.2	76%	0.757	81%	0.806	S	S	*	*			trans	78.9	139.8	165.6	-53.6	-63	0	0	0	122.2
927	A	27.6	Very low	29.4	Very low	84 Å²	84	159.8 Å²	159.8	69%	0.694	81%	0.811	S	S	*	*			trans	-78.5	171.3	157.2	0	0	0	0	0	111.2
928	L	23.9	Very low	29.3	Very low	154 Å²	154	159.7 Å²	159.7	81%	0.806	80%	0.804	S	S	*	*			trans	16.1	123.6	167.2	-77.1	91.2	0	0	0	118.7
929	Y	28.2	Very low	29.2	Very low	235 Å²	235	162 Å²	162	92%	0.922	81%	0.811	S	S	*	*				-162.3	143.9	120.5	-105.4	-71.2	0	0	0	111.4
930	L	27.6	Very low	29.2	Very low	158 Å²	158	165.1 Å²	165.1	83%	0.827	82%	0.817	S	S	*	*			trans	-79.1	140.9	176.4	-67.5	120.2	0	0	0	111.6	R932	L930-R932 PolarHBondContact O-N 3.07Å
931	P	32.9	Very low	29.1	Very low	128 Å²	128	165.6 Å²	165.6	83%	0.831	83%	0.825	S	S	*	*			trans	-85.6	106.3	163.7	32.3	-29.1	0	0	0	110.5
932	R	31.9	Very low	29.2	Very low	230 Å²	230	167.3 Å²	167.3	87%	0.868	82%	0.821	S	S	*	*			trans	-91.4	96.7	172.5	-173	-172.6	-166.7	178.5	5.3	109.6	L930	L930-R932 PolarHBondContact O-N 3.07Å
933	N	36.5	Very low	29.3	Very low	152 Å²	152	167 Å²	167	81%	0.813	82%	0.818	S	S	*	*			trans	170.1	146.2	137.7	-85	-17	0	0	0	112.7
934	G	29.6	Very low	29.5	Very low	72 Å²	72	162.5 Å²	162.5	74%	0.742	82%	0.819	S	S	*	*			trans	-54.9	159.4	-171.5	0	0	0	0	0	116.2
935	V	32.1	Very low	29.5	Very low	150 Å²	150	154.4 Å²	154.4	91%	0.909	81%	0.814	S	S	*	*				-149.4	154	77.3	150.6	0	0	0	0	112.7
936	R	27.3	Very low	29.6	Very low	234 Å²	234	157.7 Å²	157.7	88%	0.883	83%	0.826	S	S	*	*			trans	-55.5	138.8	178.8	-64.7	169.6	171.5	165.6	-4.9	114.3
937	K	32.4	Very low	29.6	Very low	196 Å²	196	153.1 Å²	153.1	85%	0.852	82%	0.823	S	S	*	*				176.1	99.9	129.2	-96.8	163.2	-177	-177.6	0	108.8
938	S	30	Very low	29.8	Very low	104 Å²	104	160.7 Å²	160.7	73%	0.727	83%	0.833	S	S	*	*				80.3	97.3	87.8	70.3	0	0	0	0	114.5
939	L	26.1	Very low	30.3	Very low	162 Å²	162	159 Å²	159	85%	0.848	83%	0.832	S	S	*	*			trans	29	125.8	137.8	-125.7	80.5	0	0	0	119.6
940	R	29.8	Very low	30.9	Very low	219 Å²	219	153.5 Å²	153.5	83%	0.826	83%	0.825	S	S	*	*				-171.1	135.9	113.9	-101.9	172.5	-159.4	-160.7	5.2	112.1
941	L	27.4	Very low	31.2	Very low	161 Å²	161	151.7 Å²	151.7	84%	0.843	82%	0.822	S	S	*	*			trans	-85	136.3	161.6	-74.1	102.6	0	0	0	110
942	Y	31.9	Very low	31.2	Very low	215 Å²	215	151.2 Å²	151.2	84%	0.843	82%	0.822	S	S	*	*			trans	-153.7	146.2	146.3	-82.3	-83.4	0	0	0	104.5
943	G	28.7	Very low	31.6	Very low	69 Å²	69	146.5 Å²	146.5	71%	0.711	82%	0.818	S	S	*	*			cis	136.2	119.4	15	0	0	0	0	0	107.4
944	A	29.3	Very low	31.8	Very low	112 Å²	112	144.6 Å²	144.6	93%	0.926	81%	0.814	S	S	*	*			trans	-9.1	140.4	178.1	0	0	0	0	0	120.5
945	G	30.3	Very low	32.5	Very low	81 Å²	81	146.9 Å²	146.9	84%	0.835	82%	0.816	S	S	*	*			trans	-173	102.8	169.2	0	0	0	0	0	115.4
946	F	29.2	Very low	32.8	Very low	203 Å²	203	145.7 Å²	145.7	89%	0.89	81%	0.812	S	S	*	*			trans	-59.5	152.3	177.4	-93.2	-99.5	0	0	0	116.4
947	S	29.8	Very low	33.3	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	81%	0.811	S	S	*	*			trans	66.4	106.5	141.2	-59.4	0	0	0	0	122
948	R	31.6	Very low	33.6	Very low	242 Å²	242	139.8 Å²	139.8	91%	0.913	81%	0.807	S	S	*	*				169.4	141.5	115.7	-91.4	170.3	-165.1	-152.2	4.4	111.3
949	P	33.4	Very low	34.1	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.3	144.9	168.6	33.8	-32.3	0	0	0	111.5
950	P	40.5	Very low	34.3	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.9	159.5	171.1	33.3	-33.9	0	0	0	112.1
951	P	35.2	Very low	34.5	Very low	120 Å²	120	134 Å²	134	78%	0.779	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.8	159.6	-171.7	33.2	-36.5	0	0	0	114.2
952	S	32.7	Very low	34.7	Very low	118 Å²	118	138 Å²	138	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.9	133.2	176.6	50.5	0	0	0	0	113.2
953	V	40.2	Very low	34.6	Very low	130 Å²	130	132.7 Å²	132.7	79%	0.788	80%	0.8	S	S	*	*			trans	-115.5	131.4	169.4	-179.5	0	0	0	0	108.5
954	P	41.1	Very low	34.6	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.1	150.8	178.7	32.8	-34.7	0	0	0	112.1
955	P	43.6	Very low	34.5	Very low	121 Å²	121	136.9 Å²	136.9	79%	0.786	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.9	145.9	174.2	31.7	-33.9	0	0	0	112.1
956	P	38.1	Very low	34.6	Very low	125 Å²	125	142.4 Å²	142.4	81%	0.812	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-80.4	157.2	179.2	33.2	-35.4	0	0	0	113.3
957	Q	37.3	Very low	34.7	Very low	186 Å²	186	138.6 Å²	138.6	87%	0.869	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-75.7	149.3	176.5	-67.8	178.5	-38.6	0	0	112.6
958	P	39.6	Very low	34.9	Very low	119 Å²	119	139.7 Å²	139.7	77%	0.773	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-80.3	147.5	170	33.5	-33.6	0	0	0	111.8
959	P	39.3	Very low	34.8	Very low	128 Å²	128	136.1 Å²	136.1	83%	0.831	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77.3	157	176.7	32.6	-35	0	0	0	112.7
960	S	30.7	Very low	34.6	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	79%	0.791	S	S	*	*			trans	-87.3	175.5	177.2	61.5	0	0	0	0	113.3
961	D	33.8	Very low	34.2	Very low	139 Å²	139	142.4 Å²	142.4	74%	0.743	79%	0.793	S	S	*	*			trans	97.1	108.1	161.9	-52.8	-6.9	0	0	0	116.4
962	Y	31.6	Very low	33.9	Very low	245 Å²	245	139.7 Å²	139.7	96%	0.961	79%	0.787	S	S	*	*				-160.3	138.5	114.6	-104.5	-71.8	0	0	0	109.5
963	S	29.9	Very low	33.6	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	79%	0.788	S	S	*	*			trans	-116.2	146.8	-169	58	0	0	0	0	114.1
964	L	28.1	Very low	33	Very low	153 Å²	153	142.9 Å²	142.9	80%	0.801	79%	0.79	S	S	*	*			trans	42.2	140.5	147.9	-99.3	73.1	0	0	0	123.3
965	T	27.9	Very low	32.3	Very low	116 Å²	116	142 Å²	142	71%	0.712	79%	0.786	S	S	*	*			trans	72.6	109.2	144.7	52	0	0	0	0	120.2
966	Q	33.1	Very low	31.7	Very low	197 Å²	197	144 Å²	144	92%	0.921	79%	0.788	S	S	*	*				-161.2	143.1	107.6	-102	166.9	1.9	0	0	111.4
967	V	30.7	Very low	31	Very low	122 Å²	122	143.3 Å²	143.3	74%	0.739	79%	0.785	S	S	*	*			trans	-121.1	147.4	177.1	-153	0	0	0	0	106.4	M969	V967-M969 HydrophobicContact CG1-CG 4.42Å
968	P	33.7	Very low	30.9	Very low	121 Å²	121	139.4 Å²	139.4	79%	0.786	78%	0.776	S	S	*	*				-135.6	139.7	89.8	12.1	11.7	0	0	0	112.4
969	M	29.4	Very low	30.3	Very low	167 Å²	167	140.7 Å²	140.7	82%	0.823	78%	0.775	S	S	*	*				59.4	110.3	77.4	-74.5	-114	-63.9	0	0	115.5	V967	V967-M969 HydrophobicContact CG1-CG 4.42Å
970	E	29.4	Very low	29.9	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	77%	0.769	S	S	*	*				-168	144.3	128.8	-117.9	178.5	171.6	0	0	114.6
971	Y	33.4	Very low	29.9	Very low	210 Å²	210	140.6 Å²	140.6	82%	0.824	77%	0.768	S	S	*	*			trans	56.4	132.8	172.6	-58.3	-76	0	0	0	120.8
972	G	27.8	Very low	29.9	Very low	64 Å²	64	141 Å²	141	66%	0.66	78%	0.775	S	S	*	*			cis	157.3	92.4	-6.7	0	0	0	0	0	116
973	H	26.6	Very low	29.8	Very low	181 Å²	181	139.1 Å²	139.1	84%	0.838	77%	0.766	S	S	*	*			trans	47	109.8	150.5	-67.6	-83.6	0	0	0	123.1
974	T	28.7	Very low	29.8	Very low	134 Å²	134	139.5 Å²	139.5	82%	0.822	77%	0.768	S	S	*	*			trans	-136.3	125.4	134.2	50.7	0	0	0	0	106
975	S	25.9	Very low	29.9	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	77%	0.765	S	S	*	*			cis	66.9	136.6	24.7	81.5	0	0	0	0	115.6
976	I	31.4	Very low	30.1	Very low	163 Å²	163	146.7 Å²	146.7	84%	0.836	78%	0.778	S	S	*	*			trans	109.1	113.3	169.7	-57.9	160	0	0	0	116.5
977	C	22.6	Very low	29.8	Very low	111 Å²	111	144.8 Å²	144.8	75%	0.75	77%	0.769	S	S	*	*			trans	-94.2	-169.3	158.9	-44.3	0	0	0	0	109.3
978	P	35.5	Very low	29.8	Very low	104 Å²	104	147.3 Å²	147.3	68%	0.675	77%	0.772	S	S	*	*			cis	-131.3	-165.7	-28.1	23.8	1.6	0	0	0	112.5
979	L	26.1	Very low	29.6	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	77%	0.772	S	S	*	*			trans	73.3	146.5	167.2	-59.3	126.8	0	0	0	115.6
980	D	31.5	Very low	29.6	Very low	130 Å²	130	144.8 Å²	144.8	70%	0.695	77%	0.773	S	S	*	*			cis	-131.7	129.1	20.6	-108.3	-55.7	0	0	0	112
981	S	30.6	Very low	29.6	Very low	94 Å²	94	147.7 Å²	147.7	66%	0.657	78%	0.783	S	S	*	*				63.2	130.2	100.1	78.4	0	0	0	0	114.9
982	V	34.6	Very low	29.4	Very low	147 Å²	147	141 Å²	141	89%	0.891	78%	0.779	S	S	*	*			cis	-131.5	158.3	43.4	172.7	0	0	0	0	113.6
983	R	28.5	Very low	29.5	Very low	205 Å²	205	147.4 Å²	147.4	77%	0.774	79%	0.791	S	S	*	*			trans	-120.7	147	-162.5	165.7	-165.2	-72.8	171.5	-5.4	112
984	C	31.1	Very low	29.7	Very low	113 Å²	113	148.2 Å²	148.2	76%	0.764	80%	0.795	S	S	*	*			trans	170.5	94.6	134.6	-94.3	0	0	0	0	110.5
985	Q	28.5	Very low	29.9	Very low	161 Å²	161	146.4 Å²	146.4	75%	0.752	79%	0.789	S	S	*	*				51.7	115.2	93.5	-78.3	-173.7	-38.5	0	0	115.8
986	R	32.4	Very low	30.1	Very low	258 Å²	258	148.1 Å²	148.1	97%	0.974	80%	0.797	S	S	*	*			trans	-139.7	125.1	133	-109.1	177.2	-168.4	-177.9	3.8	110.9
987	H	28.5	Very low	30.3	Very low	157 Å²	157	146 Å²	146	73%	0.727	79%	0.792	S	S	*	*			trans	-93.3	170.9	-174.7	-169.3	-89.6	0	0	0	110.6	S989	H987-S989 PolarHBondContact O-N 2.78Å
988	Q	29.6	Very low	30.9	Very low	175 Å²	175	146.6 Å²	146.6	82%	0.818	79%	0.792	S	S	*	*	S	Bend	trans	-61.1	115.3	176.1	-67.6	157	-66.3	0	0	111.9
989	S	30.6	Very low	30.8	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	81%	0.806	S	S	*	*			trans	-164.9	-6.5	160.5	56.6	0	0	0	0	115.6	H987	H987-S989 PolarHBondContact O-N 2.78Å
990	C	29.3	Very low	31.2	Very low	125 Å²	125	155.3 Å²	155.3	85%	0.845	81%	0.811	S	S	*	*			trans	-113.3	79	-178.7	-61.6	0	0	0	0	112.3
991	F	28.5	Very low	31.3	Very low	221 Å²	221	159.3 Å²	159.3	97%	0.969	82%	0.817	S	S	*	*			trans	-81.8	143.6	152.7	-108.9	-98.9	0	0	0	108.4
992	G	28.5	Very low	31.5	Very low	71 Å²	71	161.1 Å²	161.1	73%	0.732	82%	0.823	S	S	*	*			trans	124.3	127.3	163	0	0	0	0	0	116.6
993	E	30.9	Very low	31.5	Very low	198 Å²	198	162.2 Å²	162.2	93%	0.925	82%	0.824	S	S	*	*			trans	68.5	97.5	149.9	-60.9	-176.9	146.9	0	0	120.7
994	E	31.1	Very low	31.8	Very low	197 Å²	197	160.6 Å²	160.6	92%	0.921	83%	0.825	S	S	*	*			trans	-0.7	115.9	138.8	-54.2	-179.6	156.8	0	0	119.4
995	S	31.5	Very low	32	Very low	97 Å²	97	162 Å²	162	68%	0.678	83%	0.825	S	S	*	*			trans	-178.5	138.3	135.2	-175.1	0	0	0	0	112.1
996	P	31.2	Very low	32.2	Very low	127 Å²	127	163.7 Å²	163.7	83%	0.825	83%	0.83	S	S	*	*			trans	-99.6	87.2	-170.1	37.3	-34.1	0	0	0	115.1
997	T	35.1	Very low	32	Very low	119 Å²	119	163 Å²	163	73%	0.73	83%	0.829	S	S	*	*			trans	-145.7	43.8	178.7	49.4	0	0	0	0	116.1
998	V	36.1	Very low	32.1	Very low	124 Å²	124	160 Å²	160	75%	0.752	83%	0.827	S	S	*	*			trans	-128.7	-12.1	-178.5	-173.4	0	0	0	0	115.6	E1000	V998-E1000 PolarHBondContact O-N 2.96Å; V998-E1000 VanDerWaalsContact O-N 3.07Å
999	Y	31.7	Very low	32.3	Very low	244 Å²	244	158.8 Å²	158.8	96%	0.957	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	1	-171.1	-137	-94.1	0	0	0	115.8
1000	E	35.1	Very low	32.3	Very low	188 Å²	188	160 Å²	160	88%	0.879	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	17.6	-163.5	-143.5	161.3	-147.2	0	0	113.9	V998	V998-E1000 PolarHBondContact O-N 2.96Å; V998-E1000 VanDerWaalsContact O-N 3.07Å
1001	R	34.2	Very low	32.4	Very low	215 Å²	215	157.7 Å²	157.7	81%	0.811	84%	0.835	S	S	*	*	S	Bend	trans	-133.1	21	-172.5	-141.6	179.2	-64.2	-166.1	2.2	116.4
1002	V	35.5	Very low	32.3	Very low	131 Å²	131	152.2 Å²	152.2	79%	0.794	83%	0.831	S	S	*	*	S	Bend	trans	-123.8	-12.5	178.8	-177.6	0	0	0	0	113.3
1003	N	34.3	Very low	32.4	Very low	170 Å²	170	153.7 Å²	153.7	91%	0.909	83%	0.83	S	S	*	*	S	Bend	trans	-94.4	16.3	-177.7	-107.8	10.3	0	0	0	114.9
1004	Q	35	Very low	32.4	Very low	172 Å²	172	151.3 Å²	151.3	80%	0.804	82%	0.824	S	S	*	*	S	Bend	trans	-113.2	-7.8	-176.5	-84.1	-176.6	-31.7	0	0	116
1005	D	34.4	Very low	32.3	Very low	141 Å²	141	148 Å²	148	75%	0.754	82%	0.821	S	S	*	*	S	Bend	trans	-110.5	10.8	-170.5	-83.2	-24.4	0	0	0	116
1006	F	31.8	Very low	32.1	Very low	198 Å²	198	151.9 Å²	151.9	87%	0.868	83%	0.833	S	S	*	*	S	Bend	trans	-112.4	15.4	-174.3	-130.6	-91.7	0	0	0	116.3
1007	Y	28.9	Very low	31.9	Very low	242 Å²	242	150 Å²	150	95%	0.949	83%	0.828	S	S	*	*	S	Bend	trans	-128.2	58.1	176.7	-93.2	-80.9	0	0	0	112.4
1008	S	31.4	Very low	31.4	Very low	96 Å²	96	150 Å²	150	67%	0.671	83%	0.831	S	S	*	*			trans	-156.1	49.6	179.5	57.2	0	0	0	0	116.3
1009	T	33.7	Very low	31	Very low	149 Å²	149	149.9 Å²	149.9	91%	0.914	84%	0.836	S	S	*	*			trans	-154.3	143.7	157.3	10	0	0	0	0	114.1
1010	C	29.4	Very low	30.8	Very low	136 Å²	136	143.7 Å²	143.7	92%	0.919	83%	0.828	S	S	*	*			trans	-69.6	166.8	179.2	-63.1	0	0	0	0	112.5
1011	G	31.4	Very low	30.6	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	82%	0.821	S	S	*	*			cis	-174	-176.6	7.6	0	0	0	0	0	112.1
1012	A	27.5	Very low	30.3	Very low	106 Å²	106	135.1 Å²	135.1	88%	0.876	82%	0.817	S	S	*	*			trans	-98.4	127.9	-165.2	0	0	0	0	0	115.1
1013	S	30	Very low	29.9	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	83%	0.825	S	S	*	*			trans	-166	152.2	139.9	56.2	0	0	0	0	110.5
1014	D	31.2	Very low	29.6	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	82%	0.815	S	S	*	*	S	Bend	trans	78.9	144.7	169.9	-52.2	-40.5	0	0	0	120.4
1015	C	29.2	Very low	29.3	Very low	127 Å²	127	133.7 Å²	133.7	86%	0.858	82%	0.815	S	S	*	*			trans	69.6	86.9	172	-66.4	0	0	0	0	118.7
1016	L	26	Very low	29.1	Very low	178 Å²	178	133.6 Å²	133.6	93%	0.932	81%	0.814	S	S	*	*			trans	-55.2	129.9	165.1	-71.6	68.3	0	0	0	112.9
1017	A	27	Very low	28.8	Very low	89 Å²	89	132.2 Å²	132.2	74%	0.736	80%	0.804	S	S	*	*				-174.2	134.5	124.9	0	0	0	0	0	113
1018	C	25	Very low	28.7	Very low	117 Å²	117	130.9 Å²	130.9	79%	0.791	80%	0.797	S	S	*	*			trans	65	61.5	155.2	-61	0	0	0	0	119.7
1019	S	27.8	Very low	28.7	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	80%	0.802	S	S	*	*			trans	-144.4	132.4	139.4	73.1	0	0	0	0	112.6
1020	S	28.8	Very low	28.5	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	80%	0.796	S	S	*	*			trans	-171.1	143.7	177.6	61.7	0	0	0	0	106.8
1021	S	29.3	Very low	28.7	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	79%	0.791	S	S	*	*			cis	174.9	142.9	-11.7	48.4	0	0	0	0	102.4
1022	V	29.3	Very low	28.8	Very low	120 Å²	120	131.9 Å²	131.9	73%	0.727	80%	0.799	S	S	*	*				-167.9	126.2	60.8	169	0	0	0	0	107.4
1023	E	27.6	Very low	29.1	Very low	204 Å²	204	130.8 Å²	130.8	95%	0.953	80%	0.797	S	S	*	*			trans	-146.4	72.7	157.1	-150.2	179	-147.9	0	0	109.5
1024	A	26.9	Very low	29.2	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	80%	0.799	S	S	*	*			trans	-170.7	99.7	169.2	0	0	0	0	0	110.7
1025	L	29.6	Very low	29.2	Very low	153 Å²	153	128.6 Å²	128.6	80%	0.801	80%	0.799	S	S	*	*			trans	-159.1	87.4	160	-108.4	159.5	0	0	0	111.4
1026	L	28.4	Very low	29.3	Very low	140 Å²	140	133.2 Å²	133.2	73%	0.733	80%	0.799	S	S	*	*			trans	64.2	118.3	140.9	-57.2	175.2	0	0	0	122.3
1027	Y	26.2	Very low	29.7	Very low	169 Å²	169	131.3 Å²	131.3	66%	0.663	79%	0.789	S	S	*	*				101.1	112.6	118.4	-97.5	-131.5	0	0	0	123.2
1028	R	27.5	Very low	29.7	Very low	214 Å²	214	134.1 Å²	134.1	81%	0.808	80%	0.797	S	S	*	*			trans	65.4	130.4	133.2	-73.1	-171.7	179.3	169.2	2	121.9
1029	G	30	Very low	30	Very low	74 Å²	74	131.7 Å²	131.7	76%	0.763	79%	0.792	S	S	*	*			trans	125	69.2	159.7	0	0	0	0	0	113.4
1030	A	30	Very low	30	Very low	95 Å²	95	132.5 Å²	132.5	79%	0.785	79%	0.792	S	S	*	*				68.1	89.2	64.6	0	0	0	0	0	115.6
1031	T	34.6	Very low	30.1	Very low	135 Å²	135	136.5 Å²	136.5	83%	0.828	80%	0.798	S	S	*	*			trans	-177.1	98.7	139.4	43.2	0	0	0	0	108.1
1032	N	33.8	Very low	30.1	Very low	173 Å²	173	137.8 Å²	137.8	93%	0.925	81%	0.807	S	S	*	*				62.3	115.7	85.1	-78.5	-4.7	0	0	0	116.5
1033	G	32.8	Very low	30	Very low	82 Å²	82	136.1 Å²	136.1	85%	0.845	80%	0.801	S	S	*	*			trans	144.4	100	147.4	0	0	0	0	0	119.1
1034	G	33	Very low	30.1	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	79%	0.792	S	S	*	*			trans	67.9	111.4	154.3	0	0	0	0	0	117.8
1035	V	30.4	Very low	30.2	Very low	133 Å²	133	138.7 Å²	138.7	81%	0.806	80%	0.799	S	S	*	*			cis	71	106.6	41.6	-167.2	0	0	0	0	114.8
1036	R	32.2	Very low	30.1	Very low	224 Å²	224	134.6 Å²	134.6	85%	0.845	79%	0.794	S	S	*	*			trans	157.8	104.5	138	-83.4	179.5	-152.3	-166	5.8	109.4
1037	D	32.7	Very low	30	Very low	137 Å²	137	138.4 Å²	138.4	73%	0.733	80%	0.799	S	S	*	*				80.4	88.5	100.5	-62.7	-31.8	0	0	0	112.9
1038	V	28.5	Very low	29.9	Very low	148 Å²	148	139.2 Å²	139.2	90%	0.897	81%	0.809	S	S	*	*				80.8	114.6	85.7	170.7	0	0	0	0	113.1
1039	G	30.2	Very low	29.9	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	81%	0.809	S	S	*	*			trans	-177	55.1	-175.6	0	0	0	0	0	116.2
1040	T	28.7	Very low	29.7	Very low	139 Å²	139	141.8 Å²	141.8	85%	0.853	81%	0.811	S	S	*	*			trans	46.8	98.2	155	57.7	0	0	0	0	120.6
1041	Q	30.6	Very low	29.6	Very low	197 Å²	197	145.3 Å²	145.3	92%	0.921	81%	0.813	S	S	*	*				-156.4	136.7	128.9	-111.8	179.2	23.8	0	0	110.1	S1043	Q1041-S1043 PolarHBondContact O-N 2.78Å
1042	S	29.6	Very low	29.4	Very low	131 Å²	131	145 Å²	145	92%	0.916	81%	0.814	S	S	*	*			trans	-75	111.4	-166.6	-176.2	0	0	0	0	113.2
1043	S	27.5	Very low	29.2	Very low	84 Å²	84	144.6 Å²	144.6	59%	0.587	81%	0.811	S	S	*	*			trans	-87.8	134.1	170.8	57	0	0	0	0	112.3	Q1041	Q1041-S1043 PolarHBondContact O-N 2.78Å
1044	T	30	Very low	29.1	Very low	126 Å²	126	150 Å²	150	77%	0.773	81%	0.814	S	S	*	*				38.7	115.3	115.7	-36.7	0	0	0	0	118.7
1045	Y	28.2	Very low	29	Very low	219 Å²	219	150.3 Å²	150.3	86%	0.859	81%	0.809	S	S	*	*			trans	-113.9	109.3	146.1	-84.4	-79.7	0	0	0	109.6
1046	G	26.3	Very low	28.9	Very low	67 Å²	67	153.1 Å²	153.1	69%	0.691	81%	0.814	S	S	*	*			trans	-94.4	134.5	167.6	0	0	0	0	0	109.9
1047	W	26.9	Very low	28.7	Very low	220 Å²	220	146.7 Å²	146.7	83%	0.833	81%	0.809	S	S	*	*			trans	-99.7	118.3	165.5	-78.8	93.8	0	0	0	109.5	Y1049	W1047-Y1049 HydrophobicContact CB-CE2 4.46Å
1048	Q	23.8	Very low	28.5	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	81%	0.809	S	S	*	*			trans	-94.3	112.2	-177.8	-170.2	170.9	-7	0	0	108.5
1049	Y	27.7	Very low	28.5	Very low	207 Å²	207	148.8 Å²	148.8	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-100.6	128.8	174.6	-88.2	-87.3	0	0	0	111.1	W1047	W1047-Y1049 HydrophobicContact CB-CE2 4.46Å
1050	V	26.7	Very low	28.3	Very low	135 Å²	135	151.9 Å²	151.9	82%	0.818	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-79.5	137.7	-177.3	179.2	0	0	0	0	110.5
1051	M	26.9	Very low	28.4	Very low	168 Å²	168	148.3 Å²	148.3	83%	0.828	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-101.1	135.2	170.7	-70.5	-167.9	-65.3	0	0	111.1
1052	P	31.8	Very low	28.4	Very low	129 Å²	129	146.4 Å²	146.4	84%	0.838	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79	149.2	167.2	-11.1	28.1	0	0	0	112.6
1053	L	28.9	Very low	28.5	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80	150.9	174.6	-80	78.3	0	0	0	112.5
1054	E	30.7	Very low	28.7	Very low	196 Å²	196	150.3 Å²	150.3	92%	0.916	81%	0.813	S	S	*	*				-176.1	137.6	125.9	-99.6	169.5	-169	0	0	107.1
1055	A	30.2	Very low	28.8	Very low	78 Å²	78	149.6 Å²	149.6	65%	0.645	81%	0.81	S	S	*	*			cis	-143.2	158.7	17.1	0	0	0	0	0	112.8
1056	E	29.4	Very low	29.1	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	80%	0.802	S	S	*	*			trans	49.5	136.7	148.7	-64.8	171.5	137.1	0	0	121.2
1057	A	27.6	Very low	29.5	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	80%	0.803	S	S	*	*			cis	-165.4	165.3	-12.6	0	0	0	0	0	109.5
1058	A	27.8	Very low	29.5	Very low	89 Å²	89	141.2 Å²	141.2	74%	0.736	81%	0.806	S	S	*	*			trans	71.3	137.3	173.9	0	0	0	0	0	116.5
1059	R	29.1	Very low	30	Very low	239 Å²	239	136.7 Å²	136.7	90%	0.902	80%	0.8	S	S	*	*			cis	-150.3	151.4	-2.9	-151.5	170.8	-79.5	-152.8	-2.6	110.7
1060	C	26.1	Very low	30.2	Very low	132 Å²	132	134.7 Å²	134.7	89%	0.892	80%	0.802	S	S	*	*			trans	-69.7	161.9	177.8	-59.1	0	0	0	0	113.5
1061	G	29.9	Very low	30.7	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	79%	0.794	S	S	*	*			trans	118	102.8	144.8	0	0	0	0	0	115.5
1062	N	31.4	Very low	31.2	Very low	158 Å²	158	132.1 Å²	132.1	85%	0.845	80%	0.795	S	S	*	*			trans	-166.5	69.2	140.8	-96.8	-22.1	0	0	0	111
1063	L	30.7	Very low	31.4	Very low	171 Å²	171	129.8 Å²	129.8	90%	0.895	79%	0.794	S	S	*	*			trans	-127.2	100.1	148.7	-87.8	169.3	0	0	0	105.4
1064	V	32.3	Very low	31.4	Very low	126 Å²	126	131 Å²	131	76%	0.764	80%	0.795	S	S	*	*			trans	-119.8	111.5	179.1	177.7	0	0	0	0	108.7
1065	P	32.7	Very low	31.4	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	79%	0.793	S	S	*	*			trans	-90.9	116.6	155.9	31	-22.7	0	0	0	109.8
1066	S	33.2	Very low	31.3	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	80%	0.799	S	S	*	*			trans	41.7	138.1	138	60.2	0	0	0	0	122.7
1067	S	35.1	Very low	31.2	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	79%	0.792	S	S	*	*			trans	104.5	123	142.9	-31.3	0	0	0	0	119.2
1068	C	28.4	Very low	31.4	Very low	132 Å²	132	127.7 Å²	127.7	89%	0.892	80%	0.796	S	S	*	*			trans	67.1	144.7	148.1	-60.2	0	0	0	0	119.1
1069	A	33.5	Very low	31.6	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	81%	0.805	S	S	*	*			cis	-161.2	-179.2	-15.8	0	0	0	0	0	109.6
1070	L	32.9	Very low	31.5	Very low	164 Å²	164	125.7 Å²	125.7	86%	0.859	80%	0.797	S	S	*	*			trans	-63.8	172.2	179	-60.7	84.4	0	0	0	112.1
1071	S	36.9	Very low	31.8	Very low	91 Å²	91	127.3 Å²	127.3	64%	0.636	80%	0.797	S	S	*	*			cis	-167.3	157.1	29.3	66.6	0	0	0	0	115.5
1072	N	37.4	Very low	31.8	Very low	159 Å²	159	130.5 Å²	130.5	85%	0.85	80%	0.803	S	S	*	*			trans	54.9	131.1	139.8	-59.5	-8.8	0	0	0	122.1
1073	G	34.6	Very low	31.7	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	80%	0.797	S	S	*	*			trans	160.2	96	159.4	0	0	0	0	0	114
1074	Q	29.1	Very low	31.8	Very low	191 Å²	191	127.1 Å²	127.1	89%	0.893	80%	0.795	S	S	*	*			trans	-77.2	153.2	176.2	-63	167.6	-83.1	0	0	111.9
1075	I	30.6	Very low	31.7	Very low	168 Å²	168	126.5 Å²	126.5	86%	0.862	80%	0.795	S	S	*	*				-173.6	123.2	126.6	-93.3	152.5	0	0	0	111.6
1076	S	27.9	Very low	31.8	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	81%	0.805	S	S	*	*			trans	46.4	121	146.7	-146	0	0	0	0	124.3
1077	A	29.1	Very low	31.9	Very low	91 Å²	91	133.4 Å²	133.4	75%	0.752	81%	0.807	S	S	*	*			trans	68.6	82.4	133.6	0	0	0	0	0	121.7
1078	S	30.7	Very low	31.8	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	81%	0.809	S	S	*	*				-173.4	150.4	114.1	57.6	0	0	0	0	112.3
1079	K	31.1	Very low	32.1	Very low	214 Å²	214	133.4 Å²	133.4	93%	0.93	80%	0.803	S	S	*	*			trans	54.6	115.9	171	-74.1	178.4	172.3	175.4	0	119.1
1080	G	28.4	Very low	32.1	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	81%	0.805	S	S	*	*			trans	120.3	126.3	145.3	0	0	0	0	0	118.2
1081	D	32.7	Very low	32.2	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	80%	0.799	S	S	*	*			trans	60.4	155.5	149.8	-54.9	-17.9	0	0	0	122.6
1082	V	29.5	Very low	32	Very low	132 Å²	132	134 Å²	134	80%	0.8	80%	0.803	S	S	*	*			trans	160.7	106.8	145.4	153.6	0	0	0	0	111.6
1083	V	29.5	Very low	31.8	Very low	118 Å²	118	135.7 Å²	135.7	72%	0.715	80%	0.799	S	S	*	*				91.3	143.1	100.1	172.3	0	0	0	0	115.1
1084	V	32.8	Very low	31.8	Very low	139 Å²	139	140.1 Å²	140.1	84%	0.842	80%	0.798	S	S	*	*				-173.6	152.7	103.9	162.6	0	0	0	0	111.8
1085	C	29.1	Very low	31.9	Very low	113 Å²	113	137.6 Å²	137.6	76%	0.764	80%	0.795	S	S	*	*			trans	-124.5	169.4	-170.8	-48.3	0	0	0	0	115.3
1086	R	35.3	Very low	32.3	Very low	250 Å²	250	134.4 Å²	134.4	94%	0.943	79%	0.786	S	S	*	*			trans	179.9	-176.4	151.8	-104	163.6	-175.3	176.5	1.8	112
1087	S	35	Very low	32.6	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	79%	0.787	S	S	*	*				-162.7	172.3	-86.4	-154.8	0	0	0	0	112.6
1088	C	32.3	Very low	32.9	Very low	110 Å²	110	137.6 Å²	137.6	74%	0.743	79%	0.791	S	S	*	*			trans	68.3	149.9	163.9	-58.5	0	0	0	0	120
1089	T	35.9	Very low	32.9	Very low	123 Å²	123	138 Å²	138	76%	0.755	79%	0.794	S	S	*	*			cis	-167.2	140.7	-18.7	23.5	0	0	0	0	111.3
1090	D	33.4	Very low	33	Very low	151 Å²	151	133.9 Å²	133.9	81%	0.807	79%	0.789	S	S	*	*			trans	35.6	130.7	147.3	-81.9	-46.8	0	0	0	127.7
1091	S	34.5	Very low	33.2	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	79%	0.786	S	S	*	*				104.1	126.3	124	72.9	0	0	0	0	124.2
1092	S	33.4	Very low	33.1	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	78%	0.782	S	S	*	*			trans	104.9	141.4	139.1	78.8	0	0	0	0	121.8
1093	Y	33.1	Very low	33	Very low	193 Å²	193	139.9 Å²	139.9	76%	0.757	79%	0.788	S	S	*	*			trans	82.1	90.6	167	-77.3	-81.2	0	0	0	123.2
1094	E	33.8	Very low	33	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	79%	0.791	S	S	*	*				64.2	154.7	126.3	-66.1	-177.1	155	0	0	123.6
1095	V	32.9	Very low	32.7	Very low	137 Å²	137	138.5 Å²	138.5	83%	0.83	79%	0.794	S	S	*	*			trans	-133.7	164.9	-156.2	161.6	0	0	0	0	106
1096	P	37.7	Very low	32.6	Very low	101 Å²	101	139.6 Å²	139.6	66%	0.656	80%	0.798	S	S	*	*			cis	-135.8	167.7	15	19.4	7.4	0	0	0	117.4
1097	N	34.6	Very low	32.3	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	80%	0.798	S	S	*	*				154.1	150.4	101.4	-114	-20	0	0	0	114.3
1098	S	34.7	Very low	31.9	Very low	120 Å²	120	140.8 Å²	140.8	84%	0.839	81%	0.806	S	S	*	*			trans	65	111	-178.9	65	0	0	0	0	116.1
1099	S	31	Very low	31.8	Very low	123 Å²	123	139.8 Å²	139.8	86%	0.86	81%	0.806	S	S	*	*			trans	-87.9	154.5	-172	47	0	0	0	0	114.2
1100	P	33.3	Very low	31.6	Very low	128 Å²	128	144.5 Å²	144.5	83%	0.831	81%	0.81	S	S	*	*			trans	-115.6	-176.7	-163.3	40.6	-27.4	0	0	0	114.8
1101	E	32.9	Very low	31.5	Very low	146 Å²	146	142.9 Å²	142.9	68%	0.682	81%	0.805	S	S	*	*	S	Bend	trans	-62.9	154.8	169.9	-74.4	-164.5	101.7	0	0	114.4
1102	R	30.6	Very low	31.4	Very low	210 Å²	210	145.9 Å²	145.9	79%	0.792	81%	0.813	S	S	*	*			trans	50.3	118.8	149.9	-64.6	169	-156.2	-139.4	5.4	119.2
1103	C	28.1	Very low	31.4	Very low	138 Å²	138	152.1 Å²	152.1	93%	0.932	84%	0.835	S	S	*	*			trans	-129.4	129.3	140.8	-88.1	0	0	0	0	109.8
1104	A	29.4	Very low	31.3	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	84%	0.839	S	S	*	*			trans	-101.9	150.7	171.3	0	0	0	0	0	109.5
1105	C	26.4	Very low	31.2	Very low	135 Å²	135	148.8 Å²	148.8	91%	0.912	84%	0.841	S	S	*	*			trans	-134.3	119.5	166.3	-82.1	0	0	0	0	109
1106	T	27.1	Very low	31.1	Very low	136 Å²	136	149.5 Å²	149.5	83%	0.834	84%	0.841	S	S	*	*			trans	-111.4	135	172.9	37.9	0	0	0	0	109.4
1107	C	27.7	Very low	30.7	Very low	139 Å²	139	152.4 Å²	152.4	94%	0.939	85%	0.852	S	S	*	*			trans	-142.7	154.8	167.3	-94.2	0	0	0	0	110.2
1108	R	28.2	Very low	30.4	Very low	239 Å²	239	152.4 Å²	152.4	90%	0.902	86%	0.855	S	S	*	*			trans	-147.6	123.5	-148.5	177.8	-164.4	-165.1	-174.7	7.7	112.2
1109	A	28.8	Very low	30.2	Very low	89 Å²	89	154.6 Å²	154.6	74%	0.736	86%	0.856	S	S	*	*			trans	-169.2	126.8	152.4	0	0	0	0	0	107.6
1110	R	31.7	Very low	30.1	Very low	222 Å²	222	156.9 Å²	156.9	84%	0.838	86%	0.856	S	S	*	*				56.2	128.2	71	-80.3	-168.7	168.5	174.6	-3.4	113
1111	T	31.2	Very low	29.9	Very low	117 Å²	117	159.1 Å²	159.1	72%	0.718	86%	0.857	S	S	*	*			cis	156	145.3	-13.2	26	0	0	0	0	104.4
1112	L	34.1	Very low	29.6	Very low	167 Å²	167	160.2 Å²	160.2	87%	0.874	87%	0.872	S	S	*	*			trans	131.9	119.7	164.9	-76.5	159.7	0	0	0	108.7
1113	I	32	Very low	29.5	Very low	236 Å²	236	155.6 Å²	155.6	100%	1.21	88%	0.879	S	S	*	*			cis	-87.2	0	2.5	-63.6	169.5	0	0	0	110.8

Retrieved 1,113 of 1,113 residues in 1817.5 ms (Link to these results)

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