A0A077Z6V2_TRITR Loading...

Vacuolar protein sorting associated protein 41

AlphaFold DB , UniProt , Accession A0A077Z6V2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 880 aa.

						>A0A077Z6V2_TRITR|A0A077Z6V2
MSTCKTGNLQEVTPVEESDDDVDSLEPKFKYRRLLNDLTELFREDAASCIAVHDRFIVLGTQWGKICLFDHEGNLIFGKTFFAHSVAVNHISVDIAGEYVASCANDGKVVIYGLFGSEHSRIVTMDRPIRSVAIHPEFSRESLGQQFVTGDRVLVLHEKNLFSKYKQQLLFIGKERDGHIHSISWRGCLIAFANETGVLVYDKNAKALLTHVTRRHDLTWRCELLPAHICWFDDNNFMIGWANTITICTVNNPPSTVSLLDLPGRLVEIRHMWEMPEHLITGLSYTPSQVTSATTGSKSAQMKSRWQEIVLFTISMRNQSKFLYVDNCELKNREAVDDIDQSECPRVTLLEAISFQEYATISEDIIKMKGYASLGCHQYHFCGLPNDNLYYLLSTRDLIQMRCCNNDDRVGWMLSKGLFNKAMDFARLHAQELTKYSPASVGRQYLEHLLVNGRYAEAAMVCQLVCGRMKDMWEYYVTRFEQIGQLIHLVDVLPTQAPQLEPECYQSVLMELLNKDIPQFKHMVLQWSPDLYRISALLIEVIKRLQKGQLATPLHRDLLSVLAQLYTHEQRFEPAVDIYLKLNDKSIFALIERSKLFHLVKDRIHQLIAVDADLAIRLLLENEDSLSPSTVMKQLIRLPKLQLAYLERLFARGQGEEFGDIAVLLYAEHNRARLLQFLQDREHYTLDKALEVCRQRHFTPETVFLLGKSGNRREALKVIITEMHDILRAIEFCVDHDDSDLWLDLIEYSAMHTDFLIILMRYVGMHVDPKLIIDQIPTDTKIPHLKDALLKLLLDHCIRINIEKNCRKITLSDCHRLLTEYMERCKTRTVITGGDDCVICQENLVNPYFHQSRELVIFNCHHVFHLKCLKEQRRCPTCSS
					

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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	36.5	Very low	35	Very low	239 Å²	239	152 Å²	152	100%	1.177	84%	0.842	S	S	*	*				0	85.7	0	-67.7	-179.3	-175.1	0	0	107.7	T3	M1-T3 PolarHBondContact O-N 2.85Å
2	S	36.6	Very low	35.2	Very low	118 Å²	118	148 Å²	148	83%	0.825	82%	0.824	S	S	*	*			trans	-83.3	107.3	178.9	51.7	0	0	0	0	108.7	C4	S2-C4 PolarHBondContact O-N 3.24Å; S2-C4 VanDerWaalsContact O-N 3.12Å
3	T	36.9	Very low	35	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	82%	0.817	S	S	*	*			trans	-62.3	107.3	174.9	46.9	0	0	0	0	109.6	M1 K5	M1-T3 PolarHBondContact O-N 2.85Å; T3-K5 PolarHBondContact O-N 3.13Å
4	C	33.2	Very low	35	Very low	118 Å²	118	143.1 Å²	143.1	80%	0.797	81%	0.809	S	S	*	*			trans	-58.3	108.8	164.8	-82.4	0	0	0	0	108.3	S2 T6	S2-C4 PolarHBondContact O-N 3.24Å; S2-C4 VanDerWaalsContact O-N 3.12Å; C4-T6 VanDerWaalsContact C-N 3.33Å; C4-T6 PolarHBondContact O-N 3.2Å
5	K	35.7	Very low	35.5	Very low	199 Å²	199	139.9 Å²	139.9	87%	0.865	79%	0.793	S	S	*	*			trans	-67.2	96.6	165.5	-74.2	-177.5	176.1	-178.9	0	107.2	T3 G7	T3-K5 PolarHBondContact O-N 3.13Å; K5-G7 PolarHBondContact O-N 3.35Å; K5-G7 VanDerWaalsContact O-N 3.1Å
6	T	36.4	Very low	35.6	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	80%	0.798	S	S	*	*			trans	-57.2	110.3	160.7	45.5	0	0	0	0	106.9	C4 N8	C4-T6 VanDerWaalsContact C-N 3.33Å; C4-T6 PolarHBondContact O-N 3.2Å; T6-N8 PolarHBondContact O-N 3.42Å
7	G	32.1	Very low	36	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	77%	0.767	S	S	*	*			trans	-54.3	125.4	171.4	0	0	0	0	0	108.3	K5 L9	K5-G7 PolarHBondContact O-N 3.35Å; K5-G7 VanDerWaalsContact O-N 3.1Å; G7-L9 PolarHBondContact O-N 3.21Å
8	N	33.8	Very low	36.3	Very low	155 Å²	155	135 Å²	135	83%	0.829	76%	0.758	S	S	*	*			trans	-53.4	111.7	171	-79.3	-16.4	0	0	0	107.5	T6 Q10	T6-N8 PolarHBondContact O-N 3.42Å; N8-Q10 VanDerWaalsContact C-N 3.31Å; N8-Q10 PolarHBondContact O-N 2.9Å
9	L	35	Very low	36.7	Very low	160 Å²	160	134.7 Å²	134.7	84%	0.838	76%	0.755	S	S	*	*			trans	-58.3	104.4	155.9	-79.1	134.6	0	0	0	105	G7 E11	G7-L9 PolarHBondContact O-N 3.21Å; L9-E11 PolarHBondContact O-N 3.31Å; L9-E11 VanDerWaalsContact O-N 3.17Å
10	Q	35.2	Very low	37.2	Very low	177 Å²	177	135.3 Å²	135.3	83%	0.827	76%	0.756	S	S	*	*			trans	-56.2	122.1	168.9	-82	174.8	-16	0	0	106.8	N8 V12	N8-Q10 VanDerWaalsContact C-N 3.31Å; N8-Q10 PolarHBondContact O-N 2.9Å; Q10-V12 PolarHBondContact O-N 3.04Å
11	E	33.6	Very low	37.5	Very low	188 Å²	188	134.1 Å²	134.1	88%	0.879	75%	0.748	S	S	*	*			trans	-55.4	110.5	170	-77	176.6	153.8	0	0	107.6	L9 T13	L9-E11 PolarHBondContact O-N 3.31Å; L9-E11 VanDerWaalsContact O-N 3.17Å; E11-T13 PolarHBondContact O-N 3.45Å; E11-T13 VanDerWaalsContact O-N 3.12Å
12	V	37.6	Very low	38.1	Very low	104 Å²	104	127.2 Å²	127.2	63%	0.63	72%	0.719	S	S	*	*			trans	-65.2	112	173.2	178.3	0	0	0	0	106.2	Q10 P14	Q10-V12 PolarHBondContact O-N 3.04Å; V12-P14 WeakPolarHBondContact O-CD 3.22Å
13	T	32	Very low	38.7	Very low	120 Å²	120	129.2 Å²	129.2	74%	0.736	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-67.9	119.5	168.7	26.9	0	0	0	0	107.4	E11 V15	E11-T13 PolarHBondContact O-N 3.45Å; E11-T13 VanDerWaalsContact O-N 3.12Å; T13-V15 PolarHBondContact O-N 2.77Å
14	P	35.1	Very low	39.7	Very low	107 Å²	107	125 Å²	125	70%	0.695	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-65	121.4	176.6	-8.9	21.8	0	0	0	108.2	V12 E16	V12-P14 WeakPolarHBondContact O-CD 3.22Å; P14-E16 PolarHBondContact O-N 3.31Å
15	V	42	Very low	41.6	Very low	95 Å²	95	127.1 Å²	127.1	58%	0.576	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-70.6	122.7	167.9	179.4	0	0	0	0	106.9	T13 E17	T13-V15 PolarHBondContact O-N 2.77Å; V15-E17 PolarHBondContact O-N 3.06Å
16	E	37.8	Very low	43.8	Very low	188 Å²	188	120.3 Å²	120.3	88%	0.879	67%	0.671	S	S	*	*			trans	-56.9	100.8	178.1	-65.7	176.5	164.5	0	0	109.2	P14	P14-E16 PolarHBondContact O-N 3.31Å
17	E	43.1	Very low	46	Very low	57 Å²	57	116.7 Å²	116.7	27%	0.266	65%	0.649	S	S	.	*			trans	-64.3	133.2	161.8	-76.9	175.6	171.1	0	0	107.2	V15 D19 L418	V15-E17 PolarHBondContact O-N 3.06Å; E17-D19 PolarHBondContact O-N 3Å; E17-D19 VanDerWaalsContact O-N 3.14Å; E17-L418 WeakPolarHBondContact OE2-CD2 3.34Å
18	S	39.8	Very low	48.7	Very low	87 Å²	87	118.3 Å²	118.3	61%	0.608	64%	0.637	S	S	*	*			trans	-45.1	118.6	-177.4	48.1	0	0	0	0	111.2	D20	S18-D20 PolarHBondContact O-N 3.23Å
19	D	44.8	Very low	51.4	Low	129 Å²	129	111.3 Å²	111.3	69%	0.69	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-61	2.8	177.2	-85.5	-31	0	0	0	113.8	E17 D21 V22	E17-D19 PolarHBondContact O-N 3Å; E17-D19 VanDerWaalsContact O-N 3.14Å; D19-D21 VanDerWaalsContact C-N 3.28Å; D19-D21 PolarHBondContact O-N 3.47Å; D19-V22 HydrophobicContact CB-CG2 4.13Å; D19-V22 WeakPolarHBondContact O-CB 3.44Å; D19-V22 WeakPolarHBondContact O-CG2 3.49Å; D19-V22 PolarHBondContact O-N 3.27Å
20	D	46	Very low	54.2	Low	146 Å²	146	108.3 Å²	108.3	78%	0.781	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-72.7	-13.4	-174.1	-66	-29.7	0	0	0	114	S18	S18-D20 PolarHBondContact O-N 3.23Å
21	D	45	Very low	57	Low	111 Å²	111	103.2 Å²	103.2	59%	0.594	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-98.6	6.2	175.9	-92.5	-33.2	0	0	0	114	D19 D23	D19-D21 VanDerWaalsContact C-N 3.28Å; D19-D21 PolarHBondContact O-N 3.47Å; D21-D23 PolarHBondContact O-N 2.96Å
22	V	47.2	Very low	59.9	Low	94 Å²	94	98.9 Å²	98.9	57%	0.57	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.4	-171.7	179.3	0	0	0	0	113.6	D19 S24	D19-V22 HydrophobicContact CB-CG2 4.13Å; D19-V22 WeakPolarHBondContact O-CB 3.44Å; D19-V22 WeakPolarHBondContact O-CG2 3.49Å; D19-V22 PolarHBondContact O-N 3.27Å; V22-S24 VanDerWaalsContact C-N 3.27Å; V22-S24 PolarHBondContact O-N 3.29Å
23	D	50	Low	62.7	Low	161 Å²	161	98.3 Å²	98.3	86%	0.861	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.6	-173.8	-81.9	-14.5	0	0	0	115.2	D21 L25	D21-D23 PolarHBondContact O-N 2.96Å; D23-L25 PolarHBondContact O-N 3.1Å
24	S	59.1	Low	65.8	Low	39 Å²	39	92.8 Å²	92.8	27%	0.273	48%	0.482	S	S	.	.	S	Bend	trans	-87	105.1	170.5	64.2	0	0	0	0	110.9	V22 W412 K416	V22-S24 VanDerWaalsContact C-N 3.27Å; V22-S24 PolarHBondContact O-N 3.29Å; S24-W412 VanDerWaalsContact O-CZ2 3.31Å; S24-W412 WeakPolarHBondContact O-CZ2 3.42Å; S24-K416 WeakPolarHBondContact OG-CE 3.24Å; S24-K416 PolarHBondContact OG-NZ 3.27Å
25	L	72.7	Confident	68.5	Low	163 Å²	163	91.6 Å²	91.6	85%	0.853	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-55.7	139.7	167.6	-77.6	150.2	0	0	0	110.6	D23	D23-L25 PolarHBondContact O-N 3.1Å
26	E	80.4	Confident	71	Confident	57 Å²	57	91 Å²	91	27%	0.266	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.8	123.4	176.5	-175.1	-175.1	155.6	0	0	109.9	K28 R409 W412	E26-K28 PolarHBondContact O-N 3.45Å; E26-R409 WeakPolarHBondContact OE1-CD 3.37Å; E26-R409 WeakPolarHBondContact OE1-CG 3.47Å; E26-R409 IonicContact OE1-CZ 3Å; E26-R409 IonicContact OE1-NE 2.64Å; E26-R409 PolarHBondContact OE1-NE 2.88Å; E26-R409 IonicContact OE2-CZ 3.46Å; E26-R409 IonicContact OE2-NE 3.73Å; E26-R409 PolarHBondContact OE2-NE 3.35Å; E26-R409 IonicContact OE2-NH2 3.13Å; E26-R409 PolarHBondContact OE2-NH2 3.32Å; E26-W412 HydrophobicContact CB-CH2 4.42Å; E26-W412 HydrophobicContact CB-CZ3 4.44Å; E26-W412 HydrophobicContact CG-CD2 4.42Å; E26-W412 HydrophobicContact CG-CE3 4.25Å
27	P	83.1	Confident	73.7	Confident	47 Å²	47	85 Å²	85	31%	0.305	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-66	128.7	-176	25.6	-33.5	0	0	0	110.9	C404 W412	P27-C404 PolarHBondContact O-SG 2.79Å; P27-W412 VanDerWaalsContact CD-CD1 3.43Å; P27-W412 HydrophobicContact CG-CG 4.38Å
28	K	88.6	Confident	76.1	Confident	99 Å²	99	82.3 Å²	82.3	43%	0.43	42%	0.424	S	S	.	.	S	Bend	trans	-80.8	-31.1	177.6	-68.7	-66.7	-176.5	173.7	0	113.1	E26 L349 C404	E26-K28 PolarHBondContact O-N 3.45Å; K28-L349 HydrophobicContact CG-CD2 4.4Å; K28-C404 PolarHBondContact O-N 2.83Å
29	F	92.1	Very high	78.6	Confident	9 Å²	9	81 Å²	81	4%	0.039	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.7	-179.3	-62.8	-72	0	0	0	111.8	Y31 V310 V347 L349 Y390 M401 R402 C404	F29-Y31 HydrophobicContact CB-CE1 4.46Å; F29-Y31 HydrophobicContact CB-CE2 3.82Å; F29-Y31 WeakPolarHBondContact CB-OH 3.34Å; F29-V310 HydrophobicContact CZ-CG1 4.31Å; F29-V310 HydrophobicContact CZ-CG2 4.2Å; F29-V347 HydrophobicContact CD2-CG1 4.37Å; F29-V347 HydrophobicContact CE2-CG1 4.38Å; F29-L349 HydrophobicContact CE2-CB 4.24Å; F29-L349 HydrophobicContact CE2-CD1 4.2Å; F29-L349 HydrophobicContact CE2-CD2 4.2Å; F29-L349 HydrophobicContact CE2-CG 4.47Å; F29-L349 HydrophobicContact CZ-CD1 3.95Å; F29-L349 HydrophobicContact CZ-CD2 4.38Å; F29-Y390 HydrophobicContact CE1-CE2 4.39Å; F29-M401 HydrophobicContact CB-CG 3.9Å; F29-M401 HydrophobicContact CB-SD 4.38Å; F29-M401 HydrophobicContact CD1-CE 3.99Å; F29-M401 HydrophobicContact CD1-CG 3.93Å; F29-M401 HydrophobicContact CD1-SD 4.19Å; F29-M401 HydrophobicContact CD2-SD 4.48Å; F29-M401 HydrophobicContact CE1-CE 3.95Å; F29-M401 HydrophobicContact CG-CE 4.39Å; F29-M401 HydrophobicContact CG-CG 4.02Å; F29-M401 HydrophobicContact CG-SD 4.1Å; F29-M401 HydrophobicContact CZ-CE 4.32Å; F29-R402 CarbonylContact C-O 3.59Å; F29-R402 VanDerWaalsContact CA-O 3.32Å; F29-R402 WeakPolarHBondContact CA-O 3.28Å; F29-C404 VanDerWaalsContact C-SG 3.54Å
30	K	92	Very high	80.9	Confident	96 Å²	96	80 Å²	80	42%	0.417	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.9	168.7	-165.5	179.5	-164.5	166.1	0	109.5	M401 R402 D408	K30-M401 WeakPolarHBondContact O-CA 3.39Å; K30-R402 HydrophobicContact CB-CG 4.28Å; K30-R402 VanDerWaalsContact CD-NH2 3.34Å; K30-R402 PolarHBondContact N-O 2.61Å; K30-R402 PolarHBondContact O-N 3.16Å; K30-D408 IonicContact NZ-OD1 2.74Å; K30-D408 PolarHBondContact NZ-OD1 2.75Å
31	Y	95.1	Very high	83.2	Confident	70 Å²	70	73.7 Å²	73.7	28%	0.275	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.9	-176.9	-59.1	-85.4	0	0	0	110.9	F29 V347 D364 I366 L392 I399 Q400 M401	F29-Y31 HydrophobicContact CB-CE1 4.46Å; F29-Y31 HydrophobicContact CB-CE2 3.82Å; F29-Y31 WeakPolarHBondContact CB-OH 3.34Å; Y31-V347 HydrophobicContact CE1-CG2 4.27Å; Y31-D364 HydrophobicContact CE2-CB 3.99Å; Y31-D364 VanDerWaalsContact OH-CB 3.22Å; Y31-D364 WeakPolarHBondContact OH-CB 3.27Å; Y31-D364 PolarHBondContact OH-OD2 3.25Å; Y31-I366 HydrophobicContact CD1-CD1 3.82Å; Y31-I366 HydrophobicContact CD2-CD1 4.4Å; Y31-I366 HydrophobicContact CE1-CD1 3.36Å; Y31-I366 HydrophobicContact CE1-CG1 4.42Å; Y31-I366 HydrophobicContact CE2-CD1 4.03Å; Y31-I366 HydrophobicContact CG-CD1 4.31Å; Y31-L392 HydrophobicContact CD1-CD1 4.44Å; Y31-L392 HydrophobicContact CE1-CD1 4.24Å; Y31-I399 HydrophobicContact CD1-CG2 4.07Å; Y31-Q400 CarbonylContact C-O 3.47Å; Y31-Q400 WeakPolarHBondContact CA-O 3.3Å; Y31-M401 HydrophobicContact CD1-CB 3.92Å; Y31-M401 HydrophobicContact CD1-CG 3.9Å; Y31-M401 HydrophobicContact CD1-SD 4.43Å; Y31-M401 HydrophobicContact CE1-CB 3.87Å; Y31-M401 HydrophobicContact CE1-CG 3.43Å; Y31-M401 VanDerWaalsContact CE1-CG 3.43Å; Y31-M401 HydrophobicContact CE1-SD 3.48Å; Y31-M401 WeakPolarHBondContact CE1-SD 3.44Å
32	R	95.2	Very high	85.5	Confident	97 Å²	97	69.3 Å²	69.3	37%	0.366	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	114.5	173.6	-175.5	177.4	67.6	104.4	-2.2	109.1	L34 H71 E72 Q400	R32-L34 PolarHBondContact O-N 3.16Å; R32-H71 PolarHBondContact NH2-O 2.84Å; R32-E72 PolarHBondContact NH1-O 3.43Å; R32-Q400 PolarHBondContact N-O 2.84Å; R32-Q400 PolarHBondContact O-N 2.93Å
33	R	95.7	Very high	87.7	Confident	92 Å²	92	73.1 Å²	73.1	35%	0.347	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.4	170.1	-178.9	171.8	-78.7	108.5	0	109.2	L35 K367 D397 I399	R33-L35 HydrophobicContact CG-CD2 3.86Å; R33-L35 HydrophobicContact CG-CG 4.39Å; R33-K367 PolarHBondContact NH2-O 3.45Å; R33-D397 WeakPolarHBondContact CD-OD1 3.27Å; R33-D397 WeakPolarHBondContact CG-OD1 3.36Å; R33-D397 IonicContact CZ-OD1 2.73Å; R33-D397 IonicContact CZ-OD2 3.08Å; R33-D397 VanDerWaalsContact NE-CG 3.31Å; R33-D397 IonicContact NE-OD1 3.78Å; R33-D397 PolarHBondContact NE-OD1 2.88Å; R33-D397 IonicContact NE-OD2 2.64Å; R33-D397 PolarHBondContact NE-OD2 3.36Å; R33-D397 IonicContact NH2-OD2 3.46Å; R33-D397 PolarHBondContact NH2-OD2 3.13Å; R33-I399 HydrophobicContact CB-CG1 4.42Å
34	L	95.9	Very high	89.7	Confident	4 Å²	4	71 Å²	71	2%	0.021	34%	0.335	C	S	.	.			trans	-79.5	127.2	175.1	-55.9	-168.8	0	0	0	108.6	R32 L38 I57 Y391 L398 Q400	R32-L34 PolarHBondContact O-N 3.16Å; L34-L38 HydrophobicContact CB-CD1 3.41Å; L34-L38 VanDerWaalsContact CB-CD1 3.41Å; L34-L38 HydrophobicContact CD1-CD1 4.15Å; L34-L38 HydrophobicContact CG-CD1 4.43Å; L34-I57 HydrophobicContact CD1-CD1 3.98Å; L34-Y391 HydrophobicContact CD1-CD1 4.5Å; L34-Y391 HydrophobicContact CD1-CE1 4.06Å; L34-L398 HydrophobicContact CD1-CD2 3.89Å; L34-L398 HydrophobicContact CD1-CG 4.09Å; L34-L398 HydrophobicContact CG-CG 4.44Å; L34-L398 PolarHBondContact N-O 3.38Å; L34-Q400 HydrophobicContact CD2-CB 3.97Å; L34-Q400 HydrophobicContact CG-CB 4.31Å
35	L	92.7	Very high	91.5	Very high	83 Å²	83	69.7 Å²	69.7	44%	0.435	33%	0.325	S	S	.	.			trans	-114.4	-68.9	-173.1	-66.6	176.6	0	0	0	111.6	R33 L38 T39	R33-L35 HydrophobicContact CG-CD2 3.86Å; R33-L35 HydrophobicContact CG-CG 4.39Å; L35-L38 CarbonylContact O-C 3.53Å; L35-L38 WeakPolarHBondContact O-CB 3.39Å; L35-L38 PolarHBondContact O-N 2.65Å; L35-T39 VanDerWaalsContact C-OG1 3.31Å; L35-T39 PolarHBondContact O-N 3.42Å; L35-T39 PolarHBondContact O-OG1 3.47Å
36	N	93.7	Very high	92.6	Very high	81 Å²	81	62.6 Å²	62.6	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	3.4	-118.9	-179.7	-57.6	-2.5	0	0	0	115.6	L38 T39 E72 G73 N74	N36-L38 VanDerWaalsContact C-N 3.26Å; N36-L38 PolarHBondContact O-N 2.87Å; N36-T39 PolarHBondContact O-N 3Å; N36-E72 PolarHBondContact ND2-O 3.39Å; N36-G73 WeakPolarHBondContact CB-O 3.27Å; N36-N74 WeakPolarHBondContact CB-OD1 3.3Å; N36-N74 PolarHBondContact ND2-OD1 2.88Å
37	D	95	Very high	93.4	Very high	64 Å²	64	60 Å²	60	34%	0.342	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.4	-177.5	-64.4	-43.9	0	0	0	112.7	T39 E40 L41 F69 G73 N74 L75	D37-T39 PolarHBondContact O-N 3.38Å; D37-E40 PolarHBondContact O-N 2.93Å; D37-L41 PolarHBondContact O-N 3.36Å; D37-L41 VanDerWaalsContact O-N 3.1Å; D37-F69 HydrophobicContact CB-CE1 4.11Å; D37-G73 PolarHBondContact N-O 3.46Å; D37-N74 WeakPolarHBondContact OD2-CA 3.3Å; D37-L75 HydrophobicContact CB-CB 3.96Å; D37-L75 PolarHBondContact OD2-N 2.95Å
38	L	93.7	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-28.7	174.5	-71.1	161.6	0	0	0	112.6	L34 L35 N36 E40 L41 F42 L59 F69 L398	L34-L38 HydrophobicContact CB-CD1 3.41Å; L34-L38 VanDerWaalsContact CB-CD1 3.41Å; L34-L38 HydrophobicContact CD1-CD1 4.15Å; L34-L38 HydrophobicContact CG-CD1 4.43Å; L35-L38 CarbonylContact O-C 3.53Å; L35-L38 WeakPolarHBondContact O-CB 3.39Å; L35-L38 PolarHBondContact O-N 2.65Å; N36-L38 VanDerWaalsContact C-N 3.26Å; N36-L38 PolarHBondContact O-N 2.87Å; L38-E40 VanDerWaalsContact C-N 3.32Å; L38-E40 PolarHBondContact O-N 2.82Å; L38-L41 HydrophobicContact CD2-CD2 4.35Å; L38-L41 PolarHBondContact O-N 3.4Å; L38-F42 HydrophobicContact CB-CD2 4.27Å; L38-F42 HydrophobicContact CB-CE2 4.09Å; L38-F42 HydrophobicContact CD2-CE2 4.09Å; L38-F42 HydrophobicContact CD2-CZ 4.06Å; L38-F42 WeakPolarHBondContact O-CB 3.4Å; L38-F42 VanDerWaalsContact O-CD2 3.24Å; L38-F42 WeakPolarHBondContact O-CD2 3.4Å; L38-F42 WeakPolarHBondContact O-CG 3.43Å; L38-F42 PolarHBondContact O-N 3.31Å; L38-L59 HydrophobicContact CD2-CD1 3.55Å; L38-F69 HydrophobicContact CD2-CD1 4.13Å; L38-F69 HydrophobicContact CD2-CD2 4.19Å; L38-F69 HydrophobicContact CD2-CE1 3.76Å; L38-F69 HydrophobicContact CD2-CE2 3.81Å; L38-F69 HydrophobicContact CD2-CG 4.34Å; L38-F69 HydrophobicContact CD2-CZ 3.59Å; L38-F69 HydrophobicContact CG-CD1 4.08Å; L38-F69 HydrophobicContact CG-CE1 3.85Å; L38-F69 HydrophobicContact CG-CZ 4.21Å; L38-L398 HydrophobicContact CD1-CB 4.34Å; L38-L398 HydrophobicContact CD1-CD2 3.85Å; L38-L398 HydrophobicContact CD2-CD2 4.31Å
39	T	92.4	Very high	94.5	Very high	58 Å²	58	54 Å²	54	36%	0.356	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-37.1	179	-59	0	0	0	0	111.3	L35 N36 D37 R43	L35-T39 VanDerWaalsContact C-OG1 3.31Å; L35-T39 PolarHBondContact O-N 3.42Å; L35-T39 PolarHBondContact O-OG1 3.47Å; N36-T39 PolarHBondContact O-N 3Å; D37-T39 PolarHBondContact O-N 3.38Å; T39-R43 PolarHBondContact O-N 2.95Å
40	E	92.8	Very high	94.8	Very high	108 Å²	108	54.3 Å²	54.3	51%	0.505	25%	0.251	S	S	.	.	H	α-helix	trans	-73.5	-46.1	174.1	-172.5	169.7	-163.7	0	0	110.7	D37 L38 F42 R43 E44	D37-E40 PolarHBondContact O-N 2.93Å; L38-E40 VanDerWaalsContact C-N 3.32Å; L38-E40 PolarHBondContact O-N 2.82Å; E40-F42 VanDerWaalsContact C-N 3.34Å; E40-F42 PolarHBondContact O-N 3.36Å; E40-R43 WeakPolarHBondContact O-CB 3.29Å; E40-R43 PolarHBondContact O-N 3.36Å; E40-R43 VanDerWaalsContact O-N 3.08Å; E40-E44 PolarHBondContact O-N 2.69Å
41	L	94.4	Very high	95.1	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-53.3	-49.6	175.8	178.9	67	0	0	0	111.8	D37 L38 R43 E44 D45 L59 T61 C67 F69	D37-L41 PolarHBondContact O-N 3.36Å; D37-L41 VanDerWaalsContact O-N 3.1Å; L38-L41 HydrophobicContact CD2-CD2 4.35Å; L38-L41 PolarHBondContact O-N 3.4Å; L41-R43 PolarHBondContact O-N 3.12Å; L41-E44 PolarHBondContact O-N 2.83Å; L41-D45 HydrophobicContact CD1-CB 4.35Å; L41-D45 PolarHBondContact O-N 2.88Å; L41-L59 HydrophobicContact CD2-CD1 4.18Å; L41-T61 HydrophobicContact CD1-CG2 4.23Å; L41-C67 HydrophobicContact CD2-CB 4.47Å; L41-F69 HydrophobicContact CD2-CE2 3.97Å; L41-F69 HydrophobicContact CD2-CZ 3.68Å
42	F	94.6	Very high	95.2	Very high	18 Å²	18	48.4 Å²	48.4	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-76.3	-6.1	-177.1	-65.2	-36	0	0	0	114.9	L38 E40 D45 A47 L59 L393 R396 L398	L38-F42 HydrophobicContact CB-CD2 4.27Å; L38-F42 HydrophobicContact CB-CE2 4.09Å; L38-F42 HydrophobicContact CD2-CE2 4.09Å; L38-F42 HydrophobicContact CD2-CZ 4.06Å; L38-F42 WeakPolarHBondContact O-CB 3.4Å; L38-F42 VanDerWaalsContact O-CD2 3.24Å; L38-F42 WeakPolarHBondContact O-CD2 3.4Å; L38-F42 WeakPolarHBondContact O-CG 3.43Å; L38-F42 PolarHBondContact O-N 3.31Å; E40-F42 VanDerWaalsContact C-N 3.34Å; E40-F42 PolarHBondContact O-N 3.36Å; F42-D45 CarbonylContact C-O 3.57Å; F42-D45 WeakPolarHBondContact CA-O 3.35Å; F42-A47 HydrophobicContact CE1-CB 3.93Å; F42-A47 HydrophobicContact CZ-CB 4.49Å; F42-L59 HydrophobicContact CZ-CD1 4.26Å; F42-L393 HydrophobicContact CZ-CD1 4.18Å; F42-R396 HydrophobicContact CB-CB 4.12Å; F42-R396 HydrophobicContact CB-CG 4.37Å; F42-R396 VanDerWaalsContact CD2-C 3.45Å; F42-R396 WeakPolarHBondContact CD2-O 3.47Å; F42-R396 HydrophobicContact CG-CB 4.27Å; F42-L398 HydrophobicContact CE2-CB 4.28Å; F42-L398 HydrophobicContact CZ-CB 4.46Å
43	R	93.1	Very high	95.2	Very high	174 Å²	174	44.7 Å²	44.7	66%	0.657	22%	0.218	S	C	*	.	H	α-helix	trans	-80	-38.5	168.9	-169.4	-177.3	-63.9	130.1	0.6	110.8	T39 E40 L41	T39-R43 PolarHBondContact O-N 2.95Å; E40-R43 WeakPolarHBondContact O-CB 3.29Å; E40-R43 PolarHBondContact O-N 3.36Å; E40-R43 VanDerWaalsContact O-N 3.08Å; L41-R43 PolarHBondContact O-N 3.12Å
44	E	92.4	Very high	95.2	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.551	23%	0.226	S	C	*	.	H	α-helix	trans	-93.1	-38.8	-175	-60.7	-171.6	159.1	0	0	112.9	E40 L41 W63	E40-E44 PolarHBondContact O-N 2.69Å; L41-E44 PolarHBondContact O-N 2.83Å; E44-W63 WeakPolarHBondContact O-CH2 3.4Å; E44-W63 WeakPolarHBondContact O-CZ3 3.38Å
45	D	95.9	Very high	95.1	Very high	11 Å²	11	50 Å²	50	6%	0.059	25%	0.245	C	C	.	.			trans	-134.8	177.8	-173.1	-156	-17.8	0	0	0	110.6	L41 F42 T61 Q62 W63	L41-D45 HydrophobicContact CD1-CB 4.35Å; L41-D45 PolarHBondContact O-N 2.88Å; F42-D45 CarbonylContact C-O 3.57Å; F42-D45 WeakPolarHBondContact CA-O 3.35Å; D45-T61 WeakPolarHBondContact OD2-CB 3.46Å; D45-T61 PolarHBondContact OD2-OG1 3.48Å; D45-Q62 PolarHBondContact OD1-N 3.08Å; D45-W63 HydrophobicContact CB-CE3 4.23Å; D45-W63 PolarHBondContact OD1-N 3.01Å; D45-W63 WeakPolarHBondContact OD2-CB 3.34Å
46	A	95.5	Very high	95.3	Very high	14 Å²	14	46.3 Å²	46.3	12%	0.116	23%	0.226	C	C	.	.			trans	-128.3	146.1	174.7	0	0	0	0	0	110.3	T61 Q62 T395 R396	A46-T61 CarbonylContact O-C 3.54Å; A46-T61 WeakPolarHBondContact O-CA 3.46Å; A46-T61 WeakPolarHBondContact O-CB 3.3Å; A46-Q62 HydrophobicContact CB-CB 4.49Å; A46-Q62 HydrophobicContact CB-CG 3.78Å; A46-Q62 WeakPolarHBondContact O-CG 3.46Å; A46-Q62 PolarHBondContact O-N 3.17Å; A46-T395 CarbonylContact C-O 3.56Å; A46-T395 VanDerWaalsContact CA-O 3.26Å; A46-T395 WeakPolarHBondContact CA-O 3.37Å; A46-T395 WeakPolarHBondContact CB-O 3.35Å; A46-R396 HydrophobicContact CB-CG 4.42Å
47	A	97.6	Very high	95.5	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.3	172	0	0	0	0	0	111	F42 G60 Q62 L393 T395	F42-A47 HydrophobicContact CE1-CB 3.93Å; F42-A47 HydrophobicContact CZ-CB 4.49Å; A47-G60 CarbonylContact C-O 3.58Å; A47-G60 WeakPolarHBondContact CA-O 3.44Å; A47-Q62 PolarHBondContact O-NE2 3.48Å; A47-L393 HydrophobicContact CB-CD1 3.84Å; A47-L393 HydrophobicContact CB-CD2 3.76Å; A47-L393 HydrophobicContact CB-CG 4.19Å; A47-T395 PolarHBondContact N-O 2.86Å
48	S	97.6	Very high	95.7	Very high	15 Å²	15	39.4 Å²	39.4	11%	0.105	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-24.9	175.5	64.9	0	0	0	0	113	G60 T61 Q62 V88 H380	S48-G60 PolarHBondContact N-O 3.14Å; S48-G60 VanDerWaalsContact OG-C 3.29Å; S48-G60 PolarHBondContact OG-O 3.38Å; S48-T61 PolarHBondContact OG-N 2.98Å; S48-T61 PolarHBondContact OG-O 3.23Å; S48-Q62 VanDerWaalsContact CB-NE2 3.28Å; S48-V88 VanDerWaalsContact CB-O 3.3Å; S48-V88 WeakPolarHBondContact CB-O 3.39Å; S48-V88 PolarHBondContact OG-N 2.98Å; S48-V88 PolarHBondContact OG-O 2.99Å; S48-H380 PolarHBondContact O-CE1 2.84Å; S48-H380 VanDerWaalsContact O-CE1 3.26Å; S48-H380 PolarHBondContact O-NE2 3.22Å; S48-H380 VanDerWaalsContact O-NE2 3.09Å
49	C	97.3	Very high	95.9	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	166.7	175	62	0	0	0	0	110.8	G60	C49-G60 PolarHBondContact N-O 3.31Å; C49-G60 PolarHBondContact O-N 3.48Å
50	I	98	Very high	96.2	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.077	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147	179.7	-179.7	168.3	0	0	0	110.5	V52 I57 V58 L59 H380 L393 L398	I50-V52 HydrophobicContact CD1-CG2 3.98Å; I50-V52 HydrophobicContact CG1-CG2 3.99Å; I50-I57 HydrophobicContact CD1-CG2 3.71Å; I50-I57 HydrophobicContact CG1-CG2 3.97Å; I50-V58 CarbonylContact C-O 3.59Å; I50-V58 WeakPolarHBondContact CA-O 3.34Å; I50-L59 HydrophobicContact CB-CD2 3.74Å; I50-L59 HydrophobicContact CD1-CD2 3.75Å; I50-L59 HydrophobicContact CG1-CD2 3.69Å; I50-H380 HydrophobicContact CG2-CB 3.56Å; I50-L393 HydrophobicContact CB-CD2 3.68Å; I50-L393 HydrophobicContact CD1-CB 4.46Å; I50-L393 HydrophobicContact CG2-CB 4.22Å; I50-L393 HydrophobicContact CG2-CD2 3.71Å; I50-L398 HydrophobicContact CD1-CD1 4Å
51	A	97.6	Very high	96.5	Very high	14 Å²	14	31.5 Å²	31.5	12%	0.116	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.7	161.2	0	0	0	0	0	108.9	V58 I91 V93	A51-V58 PolarHBondContact N-O 3.24Å; A51-V58 PolarHBondContact O-N 3.43Å; A51-I91 HydrophobicContact CB-CB 4.13Å; A51-I91 HydrophobicContact CB-CG2 3.66Å; A51-V93 HydrophobicContact CB-CG2 3.93Å
52	V	97.2	Very high	96.7	Very high	28 Å²	28	34.6 Å²	34.6	17%	0.17	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.2	-177.1	-177	0	0	0	0	109.2	I50 I57 C382 L384 Y391	I50-V52 HydrophobicContact CD1-CG2 3.98Å; I50-V52 HydrophobicContact CG1-CG2 3.99Å; V52-I57 HydrophobicContact CG1-CG1 4.49Å; V52-I57 HydrophobicContact CG2-CG2 4.42Å; V52-C382 HydrophobicContact CB-CB 4.19Å; V52-C382 HydrophobicContact CG2-CB 3.58Å; V52-L384 HydrophobicContact CG1-CD1 3.66Å; V52-L384 HydrophobicContact CG1-CD2 4.14Å; V52-L384 HydrophobicContact CG1-CG 3.74Å; V52-Y391 HydrophobicContact CB-CD2 4.35Å; V52-Y391 HydrophobicContact CG1-CD2 3.78Å; V52-Y391 HydrophobicContact CG1-CE2 3.72Å; V52-Y391 HydrophobicContact CG2-CD2 3.72Å; V52-Y391 HydrophobicContact CG2-CE2 4.43Å; V52-Y391 HydrophobicContact CG2-CG 4.15Å
53	H	96.8	Very high	96.8	Very high	18 Å²	18	41.6 Å²	41.6	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	158.2	170.8	-164.8	-83.1	0	0	0	108.3	R55 F56 H71 V93 D94 I95 G97	H53-R55 PolarHBondContact ND1-N 3.06Å; H53-R55 PolarHBondContact O-N 3.42Å; H53-F56 HydrophobicContact CB-CD2 4.07Å; H53-F56 HydrophobicContact CB-CE1 4.47Å; H53-F56 HydrophobicContact CB-CE2 3.85Å; H53-F56 HydrophobicContact CB-CG 4.46Å; H53-F56 HydrophobicContact CB-CZ 4.05Å; H53-F56 PolarHBondContact N-O 3Å; H53-F56 PolarHBondContact O-N 2.77Å; H53-H71 PolarHBondContact O-CE1 2.96Å; H53-H71 PolarHBondContact O-NE2 3.19Å; H53-H71 VanDerWaalsContact O-NE2 3.12Å; H53-V93 HydrophobicContact CB-CG1 4.49Å; H53-D94 PolarHBondContact CD2-O 3.45Å; H53-D94 VanDerWaalsContact CD2-O 3.29Å; H53-D94 PolarHBondContact NE2-O 3.17Å; H53-I95 PolarHBondContact NE2-O 3.48Å; H53-G97 WeakPolarHBondContact NE2-CA 3.38Å; H53-G97 PolarHBondContact NE2-N 3.17Å
54	D	94.8	Very high	97	Very high	95 Å²	95	33.3 Å²	33.3	51%	0.508	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11	177.2	66	-1.5	0	0	0	114.8	H71	D54-H71 VanDerWaalsContact C-NE2 3.28Å; D54-H71 PolarHBondContact O-NE2 2.87Å
55	R	94.4	Very high	97.3	Very high	112 Å²	112	30 Å²	30	42%	0.423	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-25.4	179.6	-69	-172.5	-56.6	-172.2	3.6	113.4	H53 H71 A96 G97	H53-R55 PolarHBondContact ND1-N 3.06Å; H53-R55 PolarHBondContact O-N 3.42Å; R55-H71 VanDerWaalsContact C-NE2 3.34Å; R55-A96 PolarHBondContact NH2-O 2.87Å; R55-G97 VanDerWaalsContact NH2-CA 3.3Å; R55-G97 PolarHBondContact NH2-O 3.28Å
56	F	97	Very high	97.4	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	162.1	-171	53.9	-102.6	0	0	0	112.7	H53 V58 L68 F69 H71 I76 V93 G97 L114	H53-F56 HydrophobicContact CB-CD2 4.07Å; H53-F56 HydrophobicContact CB-CE1 4.47Å; H53-F56 HydrophobicContact CB-CE2 3.85Å; H53-F56 HydrophobicContact CB-CG 4.46Å; H53-F56 HydrophobicContact CB-CZ 4.05Å; H53-F56 PolarHBondContact N-O 3Å; H53-F56 PolarHBondContact O-N 2.77Å; F56-V58 HydrophobicContact CD2-CG2 3.59Å; F56-V58 HydrophobicContact CE2-CG2 3.52Å; F56-L68 HydrophobicContact CD2-CD2 3.86Å; F56-L68 HydrophobicContact CD2-CG 4.42Å; F56-L68 HydrophobicContact CE2-CD2 4.04Å; F56-L68 HydrophobicContact CG-CD2 4.16Å; F56-L68 HydrophobicContact CZ-CD2 4.47Å; F56-F69 CarbonylContact C-O 3.51Å; F56-F69 VanDerWaalsContact CA-O 3.26Å; F56-F69 WeakPolarHBondContact CA-O 3.31Å; F56-F69 VanDerWaalsContact CB-O 3.25Å; F56-F69 WeakPolarHBondContact CB-O 3.45Å; F56-H71 PolarHBondContact N-NE2 3.48Å; F56-I76 HydrophobicContact CB-CD1 3.6Å; F56-I76 HydrophobicContact CG-CD1 4.42Å; F56-V93 HydrophobicContact CE2-CG1 4.06Å; F56-V93 HydrophobicContact CZ-CG1 4.04Å; F56-G97 WeakPolarHBondContact CE1-O 3.19Å; F56-G97 WeakPolarHBondContact CZ-O 3.46Å; F56-L114 HydrophobicContact CE1-CD1 3.66Å; F56-L114 HydrophobicContact CE2-CD1 3.86Å; F56-L114 HydrophobicContact CZ-CD1 3.22Å
57	I	97.9	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.9	172.5	-56.3	165.5	0	0	0	108	L34 I50 V52 L59 L68 F69 Y391 L398	L34-I57 HydrophobicContact CD1-CD1 3.98Å; I50-I57 HydrophobicContact CD1-CG2 3.71Å; I50-I57 HydrophobicContact CG1-CG2 3.97Å; V52-I57 HydrophobicContact CG1-CG1 4.49Å; V52-I57 HydrophobicContact CG2-CG2 4.42Å; I57-L59 HydrophobicContact CG2-CD2 4.25Å; I57-L59 HydrophobicContact CG2-CG 4.42Å; I57-L68 CarbonylContact O-C 3.53Å; I57-L68 WeakPolarHBondContact O-CA 3.35Å; I57-F69 HydrophobicContact CB-CB 4.41Å; I57-F69 PolarHBondContact N-O 2.88Å; I57-F69 PolarHBondContact O-N 3.45Å; I57-Y391 HydrophobicContact CD1-CD1 3.81Å; I57-Y391 HydrophobicContact CD1-CE1 3.3Å; I57-Y391 HydrophobicContact CD1-CE2 4.4Å; I57-Y391 HydrophobicContact CG1-CE1 4.21Å; I57-Y391 HydrophobicContact CG1-CE2 4.49Å; I57-L398 HydrophobicContact CD1-CD2 4.47Å
58	V	98.5	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.4	174.3	-165.2	0	0	0	0	109.1	I50 A51 F56 I66 L68 I91 V93 V100	I50-V58 CarbonylContact C-O 3.59Å; I50-V58 WeakPolarHBondContact CA-O 3.34Å; A51-V58 PolarHBondContact N-O 3.24Å; A51-V58 PolarHBondContact O-N 3.43Å; F56-V58 HydrophobicContact CD2-CG2 3.59Å; F56-V58 HydrophobicContact CE2-CG2 3.52Å; V58-I66 HydrophobicContact CG1-CG2 3.7Å; V58-L68 HydrophobicContact CG1-CD1 4.03Å; V58-L68 HydrophobicContact CG1-CG 4.38Å; V58-L68 HydrophobicContact CG2-CG 4.15Å; V58-I91 HydrophobicContact CB-CG2 4.25Å; V58-I91 HydrophobicContact CG1-CD1 4.05Å; V58-I91 HydrophobicContact CG1-CG2 4.01Å; V58-V93 HydrophobicContact CG2-CG2 3.92Å; V58-V100 HydrophobicContact CG1-CG1 4.07Å; V58-V100 HydrophobicContact CG2-CG2 4.33Å
59	L	98.5	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.4	173	-64.2	-174.6	0	0	0	110.8	L38 L41 F42 I50 I57 I66 C67 F69 L393 L398	L38-L59 HydrophobicContact CD2-CD1 3.55Å; L41-L59 HydrophobicContact CD2-CD1 4.18Å; F42-L59 HydrophobicContact CZ-CD1 4.26Å; I50-L59 HydrophobicContact CB-CD2 3.74Å; I50-L59 HydrophobicContact CD1-CD2 3.75Å; I50-L59 HydrophobicContact CG1-CD2 3.69Å; I57-L59 HydrophobicContact CG2-CD2 4.25Å; I57-L59 HydrophobicContact CG2-CG 4.42Å; L59-I66 WeakPolarHBondContact O-CA 3.29Å; L59-C67 PolarHBondContact N-O 3.18Å; L59-C67 PolarHBondContact O-N 2.9Å; L59-F69 HydrophobicContact CB-CE2 4.32Å; L59-F69 HydrophobicContact CD1-CD2 4.14Å; L59-F69 HydrophobicContact CD1-CE2 3.77Å; L59-F69 HydrophobicContact CG-CD2 4.23Å; L59-F69 HydrophobicContact CG-CE2 4.14Å; L59-L393 HydrophobicContact CD2-CD1 4.33Å; L59-L393 HydrophobicContact CD2-CD2 4.03Å; L59-L398 HydrophobicContact CD1-CD2 4.42Å
60	G	98.6	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.6	161.6	0	0	0	0	0	109.3	A47 S48 C49	A47-G60 CarbonylContact C-O 3.58Å; A47-G60 WeakPolarHBondContact CA-O 3.44Å; S48-G60 PolarHBondContact N-O 3.14Å; S48-G60 VanDerWaalsContact OG-C 3.29Å; S48-G60 PolarHBondContact OG-O 3.38Å; C49-G60 PolarHBondContact N-O 3.31Å; C49-G60 PolarHBondContact O-N 3.48Å
61	T	98.6	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	164.7	-174.6	59.7	0	0	0	0	112.5	L41 D45 A46 S48 W63 G64 K65 A87 V88	L41-T61 HydrophobicContact CD1-CG2 4.23Å; D45-T61 WeakPolarHBondContact OD2-CB 3.46Å; D45-T61 PolarHBondContact OD2-OG1 3.48Å; A46-T61 CarbonylContact O-C 3.54Å; A46-T61 WeakPolarHBondContact O-CA 3.46Å; A46-T61 WeakPolarHBondContact O-CB 3.3Å; S48-T61 PolarHBondContact OG-N 2.98Å; S48-T61 PolarHBondContact OG-O 3.23Å; T61-W63 PolarHBondContact O-N 2.89Å; T61-G64 PolarHBondContact O-N 3.44Å; T61-G64 VanDerWaalsContact O-N 3.15Å; T61-G64 PolarHBondContact OG1-N 3.4Å; T61-K65 HydrophobicContact CG2-CB 4.2Å; T61-K65 PolarHBondContact N-O 2.85Å; T61-K65 VanDerWaalsContact N-O 3.09Å; T61-K65 VanDerWaalsContact OG1-CA 3.31Å; T61-K65 WeakPolarHBondContact OG1-CA 3.29Å; T61-K65 WeakPolarHBondContact OG1-CB 3.24Å; T61-K65 PolarHBondContact OG1-N 2.97Å; T61-K65 PolarHBondContact OG1-O 3.49Å; T61-A87 WeakPolarHBondContact O-CA 3.3Å; T61-V88 PolarHBondContact O-N 3.15Å
62	Q	97.8	Very high	97.2	Very high	80 Å²	80	35.9 Å²	35.9	37%	0.374	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.3	177	-64.4	-63.7	-25.6	0	0	112.6	D45 A46 A47 S48 A87	D45-Q62 PolarHBondContact OD1-N 3.08Å; A46-Q62 HydrophobicContact CB-CB 4.49Å; A46-Q62 HydrophobicContact CB-CG 3.78Å; A46-Q62 WeakPolarHBondContact O-CG 3.46Å; A46-Q62 PolarHBondContact O-N 3.17Å; A47-Q62 PolarHBondContact O-NE2 3.48Å; S48-Q62 VanDerWaalsContact CB-NE2 3.28Å; Q62-A87 WeakPolarHBondContact O-CA 3.41Å; Q62-A87 PolarHBondContact O-N 3.14Å; Q62-A87 VanDerWaalsContact OE1-CB 3.26Å
63	W	97.5	Very high	97.1	Very high	165 Å²	165	34.5 Å²	34.5	63%	0.625	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	17.5	173.4	-61.6	-18.6	0	0	0	114.4	E44 D45 T61 K65	E44-W63 WeakPolarHBondContact O-CH2 3.4Å; E44-W63 WeakPolarHBondContact O-CZ3 3.38Å; D45-W63 HydrophobicContact CB-CE3 4.23Å; D45-W63 PolarHBondContact OD1-N 3.01Å; D45-W63 WeakPolarHBondContact OD2-CB 3.34Å; T61-W63 PolarHBondContact O-N 2.89Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 PolarHBondContact O-N 3.4Å
64	G	98.1	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	80.2	10.8	168.4	0	0	0	0	0	115.4	T61 A83 H84 V86	T61-G64 PolarHBondContact O-N 3.44Å; T61-G64 VanDerWaalsContact O-N 3.15Å; T61-G64 PolarHBondContact OG1-N 3.4Å; G64-A83 PolarHBondContact O-N 2.94Å; G64-H84 WeakPolarHBondContact CA-O 3.46Å; G64-H84 PolarHBondContact O-N 3.5Å; G64-V86 WeakPolarHBondContact CA-O 3.32Å; G64-V86 PolarHBondContact N-O 3.23Å
65	K	98.1	Very high	97.2	Very high	47 Å²	47	34.7 Å²	34.7	20%	0.204	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.3	172.8	-159.3	179.7	178.8	-176.1	0	110.7	T61 W63 T80 F81 F82	T61-K65 HydrophobicContact CG2-CB 4.2Å; T61-K65 PolarHBondContact N-O 2.85Å; T61-K65 VanDerWaalsContact N-O 3.09Å; T61-K65 VanDerWaalsContact OG1-CA 3.31Å; T61-K65 WeakPolarHBondContact OG1-CA 3.29Å; T61-K65 WeakPolarHBondContact OG1-CB 3.24Å; T61-K65 PolarHBondContact OG1-N 2.97Å; T61-K65 PolarHBondContact OG1-O 3.49Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 PolarHBondContact O-N 3.4Å; K65-T80 HydrophobicContact CD-CG2 4.18Å; K65-T80 HydrophobicContact CG-CG2 4.21Å; K65-F81 WeakPolarHBondContact CA-O 3.33Å; K65-F82 HydrophobicContact CB-CD1 4.2Å; K65-F82 HydrophobicContact CB-CE1 4.15Å; K65-F82 HydrophobicContact CD-CE1 4.4Å; K65-F82 HydrophobicContact CD-CZ 4.2Å; K65-F82 HydrophobicContact CG-CD1 4.41Å; K65-F82 HydrophobicContact CG-CE1 4.31Å; K65-F82 HydrophobicContact CG-CZ 4.44Å
66	I	98.4	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.2	167.7	-56.9	-64	0	0	0	107.6	V58 L59 L68 T80 F81 A83 V88 I91	V58-I66 HydrophobicContact CG1-CG2 3.7Å; L59-I66 WeakPolarHBondContact O-CA 3.29Å; I66-L68 HydrophobicContact CG2-CD1 4.03Å; I66-T80 WeakPolarHBondContact O-CA 3.32Å; I66-F81 HydrophobicContact CB-CD2 4.39Å; I66-F81 HydrophobicContact CB-CE1 4.13Å; I66-F81 HydrophobicContact CB-CE2 3.95Å; I66-F81 HydrophobicContact CB-CZ 3.79Å; I66-F81 HydrophobicContact CG1-CE2 4Å; I66-F81 HydrophobicContact CG1-CZ 4.19Å; I66-F81 HydrophobicContact CG2-CE1 4.04Å; I66-F81 HydrophobicContact CG2-CE2 4.46Å; I66-F81 HydrophobicContact CG2-CZ 3.82Å; I66-F81 PolarHBondContact N-O 2.94Å; I66-F81 PolarHBondContact O-N 2.91Å; I66-A83 HydrophobicContact CD1-CB 4.46Å; I66-A83 HydrophobicContact CG1-CB 3.59Å; I66-V88 HydrophobicContact CD1-CG1 3.95Å; I66-V88 HydrophobicContact CD1-CG2 3.9Å; I66-I91 HydrophobicContact CD1-CD1 3.75Å; I66-I91 HydrophobicContact CD1-CG1 4.17Å
67	C	98.1	Very high	97.1	Very high	1 Å²	1	41 Å²	41	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.7	-177.6	-66.2	0	0	0	0	109.7	L41 L59 F69 L75	L41-C67 HydrophobicContact CD2-CB 4.47Å; L59-C67 PolarHBondContact N-O 3.18Å; L59-C67 PolarHBondContact O-N 2.9Å; C67-F69 HydrophobicContact CB-CD2 4.29Å; C67-F69 HydrophobicContact CB-CE2 3.43Å; C67-F69 VanDerWaalsContact CB-CE2 3.43Å; C67-F69 HydrophobicContact CB-CZ 3.98Å; C67-L75 HydrophobicContact CB-CD1 4.11Å
68	L	98	Very high	96.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.3	174.8	-84.9	82.6	0	0	0	110.4	F56 I57 V58 I66 L75 I76 K79 L114	F56-L68 HydrophobicContact CD2-CD2 3.86Å; F56-L68 HydrophobicContact CD2-CG 4.42Å; F56-L68 HydrophobicContact CE2-CD2 4.04Å; F56-L68 HydrophobicContact CG-CD2 4.16Å; F56-L68 HydrophobicContact CZ-CD2 4.47Å; I57-L68 CarbonylContact O-C 3.53Å; I57-L68 WeakPolarHBondContact O-CA 3.35Å; V58-L68 HydrophobicContact CG1-CD1 4.03Å; V58-L68 HydrophobicContact CG1-CG 4.38Å; V58-L68 HydrophobicContact CG2-CG 4.15Å; I66-L68 HydrophobicContact CG2-CD1 4.03Å; L68-L75 WeakPolarHBondContact O-CD1 3.36Å; L68-I76 HydrophobicContact CB-CB 4.26Å; L68-I76 HydrophobicContact CB-CD1 4.3Å; L68-I76 HydrophobicContact CB-CG1 4.48Å; L68-I76 PolarHBondContact O-N 2.84Å; L68-K79 HydrophobicContact CB-CB 3.83Å; L68-K79 HydrophobicContact CD1-CB 4.29Å; L68-K79 WeakPolarHBondContact CD1-O 3.49Å; L68-K79 HydrophobicContact CD2-CB 4.13Å; L68-K79 HydrophobicContact CG-CB 4.29Å; L68-L114 HydrophobicContact CD1-CD2 4.09Å; L68-L114 HydrophobicContact CD2-CD1 3.7Å; L68-L114 HydrophobicContact CD2-CD2 3.44Å; L68-L114 VanDerWaalsContact CD2-CD2 3.44Å; L68-L114 HydrophobicContact CD2-CG 4.23Å; L68-L114 HydrophobicContact CG-CD2 4.43Å
69	F	97.8	Very high	96.4	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.3	178.6	-62.2	-92.3	0	0	0	110.7	D37 L38 L41 F56 I57 L59 C67 N74 L75	D37-F69 HydrophobicContact CB-CE1 4.11Å; L38-F69 HydrophobicContact CD2-CD1 4.13Å; L38-F69 HydrophobicContact CD2-CD2 4.19Å; L38-F69 HydrophobicContact CD2-CE1 3.76Å; L38-F69 HydrophobicContact CD2-CE2 3.81Å; L38-F69 HydrophobicContact CD2-CG 4.34Å; L38-F69 HydrophobicContact CD2-CZ 3.59Å; L38-F69 HydrophobicContact CG-CD1 4.08Å; L38-F69 HydrophobicContact CG-CE1 3.85Å; L38-F69 HydrophobicContact CG-CZ 4.21Å; L41-F69 HydrophobicContact CD2-CE2 3.97Å; L41-F69 HydrophobicContact CD2-CZ 3.68Å; F56-F69 CarbonylContact C-O 3.51Å; F56-F69 VanDerWaalsContact CA-O 3.26Å; F56-F69 WeakPolarHBondContact CA-O 3.31Å; F56-F69 VanDerWaalsContact CB-O 3.25Å; F56-F69 WeakPolarHBondContact CB-O 3.45Å; I57-F69 HydrophobicContact CB-CB 4.41Å; I57-F69 PolarHBondContact N-O 2.88Å; I57-F69 PolarHBondContact O-N 3.45Å; L59-F69 HydrophobicContact CB-CE2 4.32Å; L59-F69 HydrophobicContact CD1-CD2 4.14Å; L59-F69 HydrophobicContact CD1-CE2 3.77Å; L59-F69 HydrophobicContact CG-CD2 4.23Å; L59-F69 HydrophobicContact CG-CE2 4.14Å; C67-F69 HydrophobicContact CB-CD2 4.29Å; C67-F69 HydrophobicContact CB-CE2 3.43Å; C67-F69 VanDerWaalsContact CB-CE2 3.43Å; C67-F69 HydrophobicContact CB-CZ 3.98Å; F69-N74 CarbonylContact C-O 3.56Å; F69-N74 WeakPolarHBondContact CA-O 3.42Å; F69-L75 HydrophobicContact CD1-CB 4.3Å; F69-L75 HydrophobicContact CD1-CD1 3.97Å; F69-L75 HydrophobicContact CD2-CD1 4.45Å; F69-L75 HydrophobicContact CE1-CB 4.12Å; F69-L75 HydrophobicContact CE1-CD1 3.42Å; F69-L75 VanDerWaalsContact CE1-CD1 3.42Å; F69-L75 HydrophobicContact CE1-CG 4.42Å; F69-L75 HydrophobicContact CE2-CD1 3.97Å; F69-L75 HydrophobicContact CG-CD1 4.44Å; F69-L75 HydrophobicContact CZ-CD1 3.42Å; F69-L75 VanDerWaalsContact CZ-CD1 3.42Å
70	D	96.1	Very high	96.2	Very high	48 Å²	48	48 Å²	48	26%	0.257	24%	0.237	S	C	.	.			trans	-70.4	174.9	161.1	69	17.7	0	0	0	111.1	E72 G73 N74	D70-E72 PolarHBondContact O-N 3.38Å; D70-E72 VanDerWaalsContact OD1-CA 3.3Å; D70-E72 WeakPolarHBondContact OD1-CA 3.41Å; D70-E72 WeakPolarHBondContact OD1-CB 3.27Å; D70-E72 PolarHBondContact OD1-N 2.71Å; D70-G73 PolarHBondContact O-N 3.39Å; D70-G73 PolarHBondContact OD1-N 2.99Å; D70-N74 PolarHBondContact N-O 2.93Å; D70-N74 PolarHBondContact OD1-N 3.08Å; D70-N74 PolarHBondContact OD1-ND2 3.25Å; D70-N74 WeakPolarHBondContact OD2-CB 3.41Å; D70-N74 PolarHBondContact OD2-ND2 3.33Å
71	H	95.1	Very high	96.1	Very high	35 Å²	35	49.7 Å²	49.7	16%	0.162	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.4	178.5	-66.7	-76.1	0	0	0	113.8	R32 H53 D54 R55 F56 Y391 Q400	R32-H71 PolarHBondContact NH2-O 2.84Å; H53-H71 PolarHBondContact O-CE1 2.96Å; H53-H71 PolarHBondContact O-NE2 3.19Å; H53-H71 VanDerWaalsContact O-NE2 3.12Å; D54-H71 VanDerWaalsContact C-NE2 3.28Å; D54-H71 PolarHBondContact O-NE2 2.87Å; R55-H71 VanDerWaalsContact C-NE2 3.34Å; F56-H71 PolarHBondContact N-NE2 3.48Å; H71-Y391 WeakPolarHBondContact CB-OH 3.25Å; H71-Y391 AromaticContact ND1-CE2 3.94Å; H71-Y391 AromaticContact ND1-CZ 3.58Å; H71-Y391 PolarHBondContact ND1-OH 2.71Å; H71-Q400 PolarHBondContact O-NE2 3.41Å
72	E	94.6	Very high	96	Very high	114 Å²	114	56.6 Å²	56.6	53%	0.533	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.3	174.6	-62.7	-167.5	164.9	0	0	113.1	R32 N36 D70	R32-E72 PolarHBondContact NH1-O 3.43Å; N36-E72 PolarHBondContact ND2-O 3.39Å; D70-E72 PolarHBondContact O-N 3.38Å; D70-E72 VanDerWaalsContact OD1-CA 3.3Å; D70-E72 WeakPolarHBondContact OD1-CA 3.41Å; D70-E72 WeakPolarHBondContact OD1-CB 3.27Å; D70-E72 PolarHBondContact OD1-N 2.71Å
73	G	95.1	Very high	95.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	97.8	15.7	-178.5	0	0	0	0	0	113.7	N36 D37 D70	N36-G73 WeakPolarHBondContact CB-O 3.27Å; D37-G73 PolarHBondContact N-O 3.46Å; D70-G73 PolarHBondContact O-N 3.39Å; D70-G73 PolarHBondContact OD1-N 2.99Å
74	N	97.1	Very high	96	Very high	47 Å²	47	46 Å²	46	25%	0.251	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-87.2	138.2	172.6	-48.6	-61.4	0	0	0	110.3	N36 D37 F69 D70 I76	N36-N74 WeakPolarHBondContact CB-OD1 3.3Å; N36-N74 PolarHBondContact ND2-OD1 2.88Å; D37-N74 WeakPolarHBondContact OD2-CA 3.3Å; F69-N74 CarbonylContact C-O 3.56Å; F69-N74 WeakPolarHBondContact CA-O 3.42Å; D70-N74 PolarHBondContact N-O 2.93Å; D70-N74 PolarHBondContact OD1-N 3.08Å; D70-N74 PolarHBondContact OD1-ND2 3.25Å; D70-N74 WeakPolarHBondContact OD2-CB 3.41Å; D70-N74 PolarHBondContact OD2-ND2 3.33Å; N74-I76 PolarHBondContact O-N 3.41Å
75	L	96.3	Very high	96	Very high	69 Å²	69	50.1 Å²	50.1	36%	0.361	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-70	129.2	179.2	-162.7	77.3	0	0	0	109.9	D37 C67 L68 F69 F77 T80	D37-L75 HydrophobicContact CB-CB 3.96Å; D37-L75 PolarHBondContact OD2-N 2.95Å; C67-L75 HydrophobicContact CB-CD1 4.11Å; L68-L75 WeakPolarHBondContact O-CD1 3.36Å; F69-L75 HydrophobicContact CD1-CB 4.3Å; F69-L75 HydrophobicContact CD1-CD1 3.97Å; F69-L75 HydrophobicContact CD2-CD1 4.45Å; F69-L75 HydrophobicContact CE1-CB 4.12Å; F69-L75 HydrophobicContact CE1-CD1 3.42Å; F69-L75 VanDerWaalsContact CE1-CD1 3.42Å; F69-L75 HydrophobicContact CE1-CG 4.42Å; F69-L75 HydrophobicContact CE2-CD1 3.97Å; F69-L75 HydrophobicContact CG-CD1 4.44Å; F69-L75 HydrophobicContact CZ-CD1 3.42Å; F69-L75 VanDerWaalsContact CZ-CD1 3.42Å; L75-F77 PolarHBondContact O-N 3.49Å; L75-T80 WeakPolarHBondContact CD1-OG1 3.43Å
76	I	96.1	Very high	95.9	Very high	53 Å²	53	50.5 Å²	50.5	27%	0.272	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-74.7	120.6	177.3	-58.2	-178.8	0	0	0	108.9	F56 L68 N74 G78 K79	F56-I76 HydrophobicContact CB-CD1 3.6Å; F56-I76 HydrophobicContact CG-CD1 4.42Å; L68-I76 HydrophobicContact CB-CB 4.26Å; L68-I76 HydrophobicContact CB-CD1 4.3Å; L68-I76 HydrophobicContact CB-CG1 4.48Å; L68-I76 PolarHBondContact O-N 2.84Å; N74-I76 PolarHBondContact O-N 3.41Å; I76-G78 PolarHBondContact O-N 2.95Å; I76-K79 HydrophobicContact CB-CB 4.21Å; I76-K79 HydrophobicContact CB-CG 4.24Å; I76-K79 HydrophobicContact CG2-CB 4.15Å; I76-K79 HydrophobicContact CG2-CG 3.62Å; I76-K79 PolarHBondContact O-N 3.35Å; I76-K79 VanDerWaalsContact O-N 3.11Å
77	F	92.4	Very high	95.9	Very high	200 Å²	200	51.5 Å²	51.5	88%	0.877	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	128.4	-175.8	-178.2	-99.3	0	0	0	112.3	L75 K79	L75-F77 PolarHBondContact O-N 3.49Å; F77-K79 PolarHBondContact O-N 3.33Å
78	G	89.7	Confident	96	Very high	55 Å²	55	51.6 Å²	51.6	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	9.5	177.4	0	0	0	0	0	115.4	I76	I76-G78 PolarHBondContact O-N 2.95Å
79	K	93.1	Very high	95.9	Very high	50 Å²	50	53.8 Å²	53.8	22%	0.217	29%	0.289	C	S	.	.			trans	-110.1	25.6	179.1	-55.9	-57.6	170.6	-159.6	0	113.5	L68 I76 F77 L114	L68-K79 HydrophobicContact CB-CB 3.83Å; L68-K79 HydrophobicContact CD1-CB 4.29Å; L68-K79 WeakPolarHBondContact CD1-O 3.49Å; L68-K79 HydrophobicContact CD2-CB 4.13Å; L68-K79 HydrophobicContact CG-CB 4.29Å; I76-K79 HydrophobicContact CB-CB 4.21Å; I76-K79 HydrophobicContact CB-CG 4.24Å; I76-K79 HydrophobicContact CG2-CB 4.15Å; I76-K79 HydrophobicContact CG2-CG 3.62Å; I76-K79 PolarHBondContact O-N 3.35Å; I76-K79 VanDerWaalsContact O-N 3.11Å; F77-K79 PolarHBondContact O-N 3.33Å; K79-L114 HydrophobicContact CD-CD2 4.36Å; K79-L114 WeakPolarHBondContact CE-O 3.31Å; K79-L114 PolarHBondContact NZ-O 2.88Å
80	T	94.7	Very high	96	Very high	40 Å²	40	55.7 Å²	55.7	25%	0.245	30%	0.299	C	S	.	.			trans	-121.6	127.8	178.5	-69.3	0	0	0	0	109.8	K65 I66 L75	K65-T80 HydrophobicContact CD-CG2 4.18Å; K65-T80 HydrophobicContact CG-CG2 4.21Å; I66-T80 WeakPolarHBondContact O-CA 3.32Å; L75-T80 WeakPolarHBondContact CD1-OG1 3.43Å
81	F	95	Very high	96.1	Very high	36 Å²	36	53.8 Å²	53.8	16%	0.158	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156.5	-172.8	56.4	-85	0	0	0	112.1	K65 I66 A83 Y112	K65-F81 WeakPolarHBondContact CA-O 3.33Å; I66-F81 HydrophobicContact CB-CD2 4.39Å; I66-F81 HydrophobicContact CB-CE1 4.13Å; I66-F81 HydrophobicContact CB-CE2 3.95Å; I66-F81 HydrophobicContact CB-CZ 3.79Å; I66-F81 HydrophobicContact CG1-CE2 4Å; I66-F81 HydrophobicContact CG1-CZ 4.19Å; I66-F81 HydrophobicContact CG2-CE1 4.04Å; I66-F81 HydrophobicContact CG2-CE2 4.46Å; I66-F81 HydrophobicContact CG2-CZ 3.82Å; I66-F81 PolarHBondContact N-O 2.94Å; I66-F81 PolarHBondContact O-N 2.91Å; F81-A83 HydrophobicContact CD2-CB 4.13Å; F81-A83 HydrophobicContact CE2-CB 3.9Å; F81-Y112 HydrophobicContact CD1-CD1 4.43Å; F81-Y112 HydrophobicContact CD1-CE1 4.23Å; F81-Y112 HydrophobicContact CD1-CE2 4.4Å; F81-Y112 AromaticContact CE1-CD1 3.55Å; F81-Y112 HydrophobicContact CE1-CD1 3.55Å; F81-Y112 HydrophobicContact CE1-CD2 4.19Å; F81-Y112 AromaticContact CE1-CE1 3.73Å; F81-Y112 HydrophobicContact CE1-CE1 3.73Å; F81-Y112 HydrophobicContact CE1-CE2 4.34Å; F81-Y112 AromaticContact CE1-CG 3.8Å; F81-Y112 HydrophobicContact CE1-CG 3.8Å; F81-Y112 HydrophobicContact CE2-CD2 4.09Å; F81-Y112 HydrophobicContact CE2-CG 4.02Å; F81-Y112 AromaticContact CZ-CD1 3.66Å; F81-Y112 HydrophobicContact CZ-CD1 3.66Å; F81-Y112 AromaticContact CZ-CD2 3.92Å; F81-Y112 HydrophobicContact CZ-CD2 3.92Å; F81-Y112 HydrophobicContact CZ-CE1 4.27Å; F81-Y112 HydrophobicContact CZ-CE2 4.49Å; F81-Y112 AromaticContact CZ-CG 3.45Å; F81-Y112 HydrophobicContact CZ-CG 3.45Å; F81-Y112 VanDerWaalsContact CZ-CG 3.45Å
82	F	96.6	Very high	96.2	Very high	146 Å²	146	53.1 Å²	53.1	64%	0.64	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.6	172.1	-72.6	-87.2	0	0	0	109.5	K65	K65-F82 HydrophobicContact CB-CD1 4.2Å; K65-F82 HydrophobicContact CB-CE1 4.15Å; K65-F82 HydrophobicContact CD-CE1 4.4Å; K65-F82 HydrophobicContact CD-CZ 4.2Å; K65-F82 HydrophobicContact CG-CD1 4.41Å; K65-F82 HydrophobicContact CG-CE1 4.31Å; K65-F82 HydrophobicContact CG-CZ 4.44Å
83	A	96.8	Very high	96.4	Very high	12 Å²	12	49 Å²	49	10%	0.099	27%	0.27	C	S	.	.			trans	-93.3	-35.6	179	0	0	0	0	0	111.8	G64 I66 F81 V110	G64-A83 PolarHBondContact O-N 2.94Å; I66-A83 HydrophobicContact CD1-CB 4.46Å; I66-A83 HydrophobicContact CG1-CB 3.59Å; F81-A83 HydrophobicContact CD2-CB 4.13Å; F81-A83 HydrophobicContact CE2-CB 3.9Å; A83-V110 HydrophobicContact CB-CB 4.19Å; A83-V110 HydrophobicContact CB-CG1 4.24Å; A83-V110 HydrophobicContact CB-CG2 4.09Å
84	H	98.6	Very high	96.4	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.042	27%	0.271	C	S	.	.			trans	-129.6	158.6	-171.6	-62.7	-74.3	0	0	0	111.5	G64 V86 S102 C103 A104 D106 K108	G64-H84 WeakPolarHBondContact CA-O 3.46Å; G64-H84 PolarHBondContact O-N 3.5Å; H84-V86 WeakPolarHBondContact CB-O 3.26Å; H84-S102 PolarHBondContact NE2-OG 3.25Å; H84-C103 PolarHBondContact NE2-N 3.36Å; H84-A104 HydrophobicContact CB-CB 3.74Å; H84-A104 VanDerWaalsContact CG-CB 3.43Å; H84-A104 WeakPolarHBondContact ND1-CB 3.48Å; H84-D106 VanDerWaalsContact CA-OD2 3.25Å; H84-D106 WeakPolarHBondContact CA-OD2 3.46Å; H84-D106 WeakPolarHBondContact CB-OD2 3.46Å; H84-D106 IonicContact CG-OD2 2.75Å; H84-D106 IonicContact ND1-OD1 3.12Å; H84-D106 PolarHBondContact ND1-OD1 3.21Å; H84-D106 VanDerWaalsContact ND1-OD1 3.16Å; H84-D106 IonicContact ND1-OD2 2.6Å; H84-D106 PolarHBondContact ND1-OD2 2.84Å; H84-K108 PolarHBondContact CE1-O 3.45Å; H84-K108 VanDerWaalsContact CE1-O 3.3Å
85	S	97.4	Very high	96.4	Very high	87 Å²	87	52 Å²	52	61%	0.608	29%	0.285	S	S	*	.	S	Bend	trans	-92.4	-2.8	174.6	57	0	0	0	0	113.8	D106	S85-D106 PolarHBondContact N-OD2 2.96Å; S85-D106 WeakPolarHBondContact OG-CB 3.47Å
86	V	98	Very high	96.3	Very high	55 Å²	55	50.5 Å²	50.5	33%	0.333	28%	0.283	S	S	.	.	S	Bend	trans	-141.7	176.3	-179.7	-59.1	0	0	0	0	109.3	G64 H84 V88 A104 N105 D106	G64-V86 WeakPolarHBondContact CA-O 3.32Å; G64-V86 PolarHBondContact N-O 3.23Å; H84-V86 WeakPolarHBondContact CB-O 3.26Å; V86-V88 PolarHBondContact O-N 3.08Å; V86-A104 HydrophobicContact CG2-CB 3.92Å; V86-N105 HydrophobicContact CG2-CB 4.12Å; V86-D106 HydrophobicContact CG2-CB 4.02Å
87	A	98.3	Very high	96.3	Very high	22 Å²	22	48 Å²	48	18%	0.182	27%	0.27	C	S	.	.			trans	-48.2	133.2	179.6	0	0	0	0	0	113	T61 Q62 N89 A104	T61-A87 WeakPolarHBondContact O-CA 3.3Å; Q62-A87 WeakPolarHBondContact O-CA 3.41Å; Q62-A87 PolarHBondContact O-N 3.14Å; Q62-A87 VanDerWaalsContact OE1-CB 3.26Å; A87-N89 PolarHBondContact O-N 3.12Å; A87-A104 VanDerWaalsContact O-CB 3.32Å; A87-A104 WeakPolarHBondContact O-CB 3.37Å
88	V	98.7	Very high	96.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.5	175.7	-171.4	0	0	0	0	108.4	S48 T61 I66 V86 I91	S48-V88 VanDerWaalsContact CB-O 3.3Å; S48-V88 WeakPolarHBondContact CB-O 3.39Å; S48-V88 PolarHBondContact OG-N 2.98Å; S48-V88 PolarHBondContact OG-O 2.99Å; T61-V88 PolarHBondContact O-N 3.15Å; I66-V88 HydrophobicContact CD1-CG1 3.95Å; I66-V88 HydrophobicContact CD1-CG2 3.9Å; V86-V88 PolarHBondContact O-N 3.08Å; V88-I91 HydrophobicContact CG1-CD1 4.21Å; V88-I91 HydrophobicContact CG1-CG1 3.87Å
89	N	97.4	Very high	96.8	Very high	48 Å²	48	40.1 Å²	40.1	26%	0.257	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-43.9	-176.8	-71.5	-23.8	0	0	0	112.1	A87 C103 N105 I129 R130	A87-N89 PolarHBondContact O-N 3.12Å; N89-C103 PolarHBondContact N-O 2.88Å; N89-N105 PolarHBondContact ND2-N 3.31Å; N89-N105 PolarHBondContact ND2-OD1 3.49Å; N89-I129 PolarHBondContact ND2-O 3.48Å; N89-R130 WeakPolarHBondContact CB-O 3.32Å
90	H	98	Very high	97	Very high	42 Å²	42	37.8 Å²	37.8	19%	0.194	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	146.1	-176	-159.6	-134.4	0	0	0	111.4	S102 C103 V132 I183	H90-S102 WeakPolarHBondContact O-CA 3.45Å; H90-C103 PolarHBondContact O-N 3.23Å; H90-C103 VanDerWaalsContact O-N 3.09Å; H90-V132 HydrophobicContact CB-CG1 4.41Å; H90-V132 PolarHBondContact CE1-O 3.39Å; H90-V132 PolarHBondContact ND1-N 3.05Å; H90-V132 PolarHBondContact ND1-O 2.86Å; H90-I183 PolarHBondContact CE1-O 3.17Å
91	I	98.5	Very high	97.2	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.2	176.4	-66.3	172.2	0	0	0	108.8	A51 V58 I66 V88 V93 V100 A101	A51-I91 HydrophobicContact CB-CB 4.13Å; A51-I91 HydrophobicContact CB-CG2 3.66Å; V58-I91 HydrophobicContact CB-CG2 4.25Å; V58-I91 HydrophobicContact CG1-CD1 4.05Å; V58-I91 HydrophobicContact CG1-CG2 4.01Å; I66-I91 HydrophobicContact CD1-CD1 3.75Å; I66-I91 HydrophobicContact CD1-CG1 4.17Å; V88-I91 HydrophobicContact CG1-CD1 4.21Å; V88-I91 HydrophobicContact CG1-CG1 3.87Å; I91-V93 HydrophobicContact CG2-CG2 4.37Å; I91-V100 HydrophobicContact CG2-CG1 3.79Å; I91-A101 CarbonylContact C-O 3.48Å; I91-A101 VanDerWaalsContact CA-O 3.24Å; I91-A101 WeakPolarHBondContact CA-O 3.37Å
92	S	98.3	Very high	97.4	Very high	21 Å²	21	34.2 Å²	34.2	15%	0.147	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.4	174.3	-175.8	0	0	0	0	109.4	A101 I134	S92-A101 PolarHBondContact N-O 3.48Å; S92-A101 PolarHBondContact O-N 3.36Å; S92-I134 WeakPolarHBondContact OG-CG1 3.25Å; S92-I134 PolarHBondContact OG-N 2.85Å; S92-I134 VanDerWaalsContact OG-N 3.13Å
93	V	97.9	Very high	97.5	Very high	29 Å²	29	27.3 Å²	27.3	18%	0.176	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.3	179.4	-169.3	0	0	0	0	108.6	A51 H53 F56 V58 I91 Y99 V100	A51-V93 HydrophobicContact CB-CG2 3.93Å; H53-V93 HydrophobicContact CB-CG1 4.49Å; F56-V93 HydrophobicContact CE2-CG1 4.06Å; F56-V93 HydrophobicContact CZ-CG1 4.04Å; V58-V93 HydrophobicContact CG2-CG2 3.92Å; I91-V93 HydrophobicContact CG2-CG2 4.37Å; V93-Y99 WeakPolarHBondContact CA-O 3.26Å; V93-V100 HydrophobicContact CG1-CG2 4.38Å; V93-V100 HydrophobicContact CG2-CG2 4.22Å
94	D	96.4	Very high	97.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.156	C	C	.	.			trans	-80.4	161.5	175.1	75	-41.2	0	0	0	111	H53 A96 G97 E98 Y99 I134 F138 S139	H53-D94 PolarHBondContact CD2-O 3.45Å; H53-D94 VanDerWaalsContact CD2-O 3.29Å; H53-D94 PolarHBondContact NE2-O 3.17Å; D94-A96 PolarHBondContact O-N 2.71Å; D94-G97 WeakPolarHBondContact O-CA 3.28Å; D94-G97 PolarHBondContact O-N 3.33Å; D94-G97 WeakPolarHBondContact OD1-CA 3.41Å; D94-G97 PolarHBondContact OD1-N 3.28Å; D94-E98 PolarHBondContact OD1-N 2.94Å; D94-Y99 PolarHBondContact N-O 3.12Å; D94-Y99 PolarHBondContact OD1-N 3.19Å; D94-I134 HydrophobicContact CB-CD1 3.96Å; D94-F138 HydrophobicContact CB-CB 3.96Å; D94-S139 WeakPolarHBondContact OD2-CB 3.48Å; D94-S139 PolarHBondContact OD2-OG 3.25Å
95	I	95.2	Very high	97.5	Very high	109 Å²	109	29.9 Å²	29.9	56%	0.559	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.4	-177.6	-72.2	172.6	0	0	0	111.9	H53 G97 P136	H53-I95 PolarHBondContact NE2-O 3.48Å; I95-G97 PolarHBondContact O-N 2.86Å; I95-P136 WeakPolarHBondContact CB-O 3.41Å; I95-P136 HydrophobicContact CD1-CB 3.62Å; I95-P136 HydrophobicContact CG1-CB 4.07Å; I95-P136 PolarHBondContact N-O 2.88Å
96	A	95.2	Very high	97.5	Very high	37 Å²	37	27.4 Å²	27.4	31%	0.306	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.2	174.3	0	0	0	0	0	112	R55 D94 E98 S139	R55-A96 PolarHBondContact NH2-O 2.87Å; D94-A96 PolarHBondContact O-N 2.71Å; A96-E98 HydrophobicContact CB-CG 3.99Å; A96-E98 PolarHBondContact O-N 3.43Å; A96-S139 WeakPolarHBondContact CB-OG 3.29Å
97	G	95.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	61.4	28.5	-177.8	0	0	0	0	0	113.4	H53 R55 F56 D94 I95 L114	H53-G97 WeakPolarHBondContact NE2-CA 3.38Å; H53-G97 PolarHBondContact NE2-N 3.17Å; R55-G97 VanDerWaalsContact NH2-CA 3.3Å; R55-G97 PolarHBondContact NH2-O 3.28Å; F56-G97 WeakPolarHBondContact CE1-O 3.19Å; F56-G97 WeakPolarHBondContact CZ-O 3.46Å; D94-G97 WeakPolarHBondContact O-CA 3.28Å; D94-G97 PolarHBondContact O-N 3.33Å; D94-G97 WeakPolarHBondContact OD1-CA 3.41Å; D94-G97 PolarHBondContact OD1-N 3.28Å; I95-G97 PolarHBondContact O-N 2.86Å; G97-L114 WeakPolarHBondContact O-CD1 3.37Å
98	E	95.8	Very high	97.4	Very high	76 Å²	76	27.3 Å²	27.3	36%	0.355	15%	0.145	S	C	.	.			trans	-97.5	-23.6	-177	-65.3	-171.8	157.8	0	0	112	D94 A96 G113 L114 F115 S139	D94-E98 PolarHBondContact OD1-N 2.94Å; A96-E98 HydrophobicContact CB-CG 3.99Å; A96-E98 PolarHBondContact O-N 3.43Å; E98-G113 CarbonylContact O-C 3.56Å; E98-G113 WeakPolarHBondContact O-CA 3.42Å; E98-L114 PolarHBondContact O-N 3.06Å; E98-F115 HydrophobicContact CG-CD2 4.32Å; E98-S139 WeakPolarHBondContact OE2-CB 3.46Å
99	Y	97.3	Very high	97.4	Very high	14 Å²	14	27.2 Å²	27.2	6%	0.055	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135	-176.4	-68.4	-85.3	0	0	0	111.6	V93 D94 I111 Y112 G113 H119 I134 F138	V93-Y99 WeakPolarHBondContact CA-O 3.26Å; D94-Y99 PolarHBondContact N-O 3.12Å; D94-Y99 PolarHBondContact OD1-N 3.19Å; Y99-I111 HydrophobicContact CD1-CG2 4.22Å; Y99-Y112 WeakPolarHBondContact CA-O 3.35Å; Y99-G113 VanDerWaalsContact CD1-CA 3.47Å; Y99-H119 HydrophobicContact CD1-CB 4.48Å; Y99-H119 HydrophobicContact CE1-CB 3.64Å; Y99-H119 AromaticContact CZ-CD2 3.88Å; Y99-H119 PolarHBondContact OH-CD2 2.97Å; Y99-I134 WeakPolarHBondContact O-CD1 3.41Å; Y99-F138 HydrophobicContact CD1-CD1 4.1Å; Y99-F138 AromaticContact CD1-CE1 3.93Å; Y99-F138 HydrophobicContact CD1-CE1 3.93Å; Y99-F138 AromaticContact CD2-CD1 3.75Å; Y99-F138 HydrophobicContact CD2-CD1 3.75Å; Y99-F138 HydrophobicContact CD2-CE1 4.34Å; Y99-F138 HydrophobicContact CE1-CE1 4.36Å; Y99-F138 HydrophobicContact CE2-CD1 4.38Å; Y99-F138 AromaticContact CG-CD1 3.59Å; Y99-F138 HydrophobicContact CG-CD1 3.59Å; Y99-F138 AromaticContact CG-CE1 3.91Å; Y99-F138 HydrophobicContact CG-CE1 3.91Å
100	V	98.1	Very high	97.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.2	175.3	-180	0	0	0	0	108.4	V58 I91 V93 I111 Y112 L114	V58-V100 HydrophobicContact CG1-CG1 4.07Å; V58-V100 HydrophobicContact CG2-CG2 4.33Å; I91-V100 HydrophobicContact CG2-CG1 3.79Å; V93-V100 HydrophobicContact CG1-CG2 4.38Å; V93-V100 HydrophobicContact CG2-CG2 4.22Å; V100-I111 CarbonylContact O-C 3.58Å; V100-I111 WeakPolarHBondContact O-CA 3.35Å; V100-Y112 PolarHBondContact N-O 3.36Å; V100-Y112 PolarHBondContact O-N 3.49Å; V100-L114 HydrophobicContact CG2-CD1 3.73Å; V100-L114 HydrophobicContact CG2-CD2 4.02Å; V100-L114 HydrophobicContact CG2-CG 3.94Å
101	A	98.4	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.6	167.3	0	0	0	0	0	110.9	I91 S92 V110 I111 V132 I134	I91-A101 CarbonylContact C-O 3.48Å; I91-A101 VanDerWaalsContact CA-O 3.24Å; I91-A101 WeakPolarHBondContact CA-O 3.37Å; S92-A101 PolarHBondContact N-O 3.48Å; S92-A101 PolarHBondContact O-N 3.36Å; A101-V110 CarbonylContact C-O 3.56Å; A101-V110 VanDerWaalsContact CA-O 3.26Å; A101-V110 WeakPolarHBondContact CA-O 3.43Å; A101-I111 HydrophobicContact CB-CG1 4.15Å; A101-V132 HydrophobicContact CB-CG1 4.35Å; A101-V132 HydrophobicContact CB-CG2 4.16Å; A101-I134 HydrophobicContact CB-CB 4.47Å; A101-I134 HydrophobicContact CB-CD1 4.43Å; A101-I134 HydrophobicContact CB-CG1 4.41Å; A101-I134 HydrophobicContact CB-CG2 3.38Å
102	S	98.7	Very high	97.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152	173.9	50.7	0	0	0	0	110.3	H84 H90 V109 V110	H84-S102 PolarHBondContact NE2-OG 3.25Å; H90-S102 WeakPolarHBondContact O-CA 3.45Å; S102-V109 CarbonylContact O-C 3.59Å; S102-V109 WeakPolarHBondContact O-CA 3.38Å; S102-V110 PolarHBondContact N-O 2.84Å; S102-V110 PolarHBondContact O-N 2.79Å; S102-V110 PolarHBondContact OG-O 2.85Å
103	C	98.6	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.1	175.5	69.9	0	0	0	0	111.7	H84 N89 H90 K108 V109 I129 S131 V132	H84-C103 PolarHBondContact NE2-N 3.36Å; N89-C103 PolarHBondContact N-O 2.88Å; H90-C103 PolarHBondContact O-N 3.23Å; H90-C103 VanDerWaalsContact O-N 3.09Å; C103-K108 WeakPolarHBondContact CA-O 3.36Å; C103-V109 HydrophobicContact CB-CG2 4.09Å; C103-I129 HydrophobicContact CB-CB 4.08Å; C103-I129 HydrophobicContact CB-CG2 3.65Å; C103-S131 VanDerWaalsContact SG-C 3.6Å; C103-V132 HydrophobicContact CB-CB 3.96Å; C103-V132 HydrophobicContact CB-CG1 3.88Å
104	A	98.5	Very high	97	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	175.3	178.8	0	0	0	0	0	113.1	H84 V86 A87 D106 G107 K108 I129	H84-A104 HydrophobicContact CB-CB 3.74Å; H84-A104 VanDerWaalsContact CG-CB 3.43Å; H84-A104 WeakPolarHBondContact ND1-CB 3.48Å; V86-A104 HydrophobicContact CG2-CB 3.92Å; A87-A104 VanDerWaalsContact O-CB 3.32Å; A87-A104 WeakPolarHBondContact O-CB 3.37Å; A104-D106 PolarHBondContact O-N 3.42Å; A104-G107 PolarHBondContact O-N 3.09Å; A104-K108 PolarHBondContact N-O 3.22Å; A104-I129 CarbonylContact C-O 3.55Å; A104-I129 PolarHBondContact O-N 2.96Å
105	N	97.5	Very high	96.7	Very high	76 Å²	76	30.5 Å²	30.5	41%	0.406	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.1	177.5	-68.8	-31.4	0	0	0	114	V86 N89 G107 P128	V86-N105 HydrophobicContact CG2-CB 4.12Å; N89-N105 PolarHBondContact ND2-N 3.31Å; N89-N105 PolarHBondContact ND2-OD1 3.49Å; N105-G107 PolarHBondContact O-N 2.77Å; N105-P128 HydrophobicContact CB-CB 4.3Å
106	D	97.4	Very high	96.3	Very high	35 Å²	35	27 Å²	27	19%	0.187	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	1.7	169.7	67.9	-1.1	0	0	0	113.2	H84 S85 V86 A104 K108	H84-D106 VanDerWaalsContact CA-OD2 3.25Å; H84-D106 WeakPolarHBondContact CA-OD2 3.46Å; H84-D106 WeakPolarHBondContact CB-OD2 3.46Å; H84-D106 IonicContact CG-OD2 2.75Å; H84-D106 IonicContact ND1-OD1 3.12Å; H84-D106 PolarHBondContact ND1-OD1 3.21Å; H84-D106 VanDerWaalsContact ND1-OD1 3.16Å; H84-D106 IonicContact ND1-OD2 2.6Å; H84-D106 PolarHBondContact ND1-OD2 2.84Å; S85-D106 PolarHBondContact N-OD2 2.96Å; S85-D106 WeakPolarHBondContact OG-CB 3.47Å; V86-D106 HydrophobicContact CG2-CB 4.02Å; A104-D106 PolarHBondContact O-N 3.42Å; D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 3.21Å; D106-K108 WeakPolarHBondContact OD1-CB 3.1Å; D106-K108 PolarHBondContact OD1-N 3.15Å
107	G	96.2	Very high	95.8	Very high	3 Å²	3	30 Å²	30	3%	0.031	16%	0.161	C	C	.	.	S	Bend	trans	76.4	10.6	178.7	0	0	0	0	0	113.7	A104 N105 M125 R127	A104-G107 PolarHBondContact O-N 3.09Å; N105-G107 PolarHBondContact O-N 2.77Å; G107-M125 WeakPolarHBondContact O-CB 3.35Å; G107-M125 PolarHBondContact O-N 3.04Å; G107-R127 WeakPolarHBondContact CA-O 3.48Å
108	K	97.9	Very high	95.4	Very high	71 Å²	71	37.3 Å²	37.3	31%	0.309	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.7	177.6	-63.2	177.6	-174.3	166.8	0	111.8	H84 C103 A104 D106 I122 V123	H84-K108 PolarHBondContact CE1-O 3.45Å; H84-K108 VanDerWaalsContact CE1-O 3.3Å; C103-K108 WeakPolarHBondContact CA-O 3.36Å; A104-K108 PolarHBondContact N-O 3.22Å; D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 3.21Å; D106-K108 WeakPolarHBondContact OD1-CB 3.1Å; D106-K108 PolarHBondContact OD1-N 3.15Å; K108-I122 HydrophobicContact CD-CG2 4.33Å; K108-V123 CarbonylContact C-O 3.53Å; K108-V123 WeakPolarHBondContact CA-O 3.48Å
109	V	98.1	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.6	161.2	179.6	0	0	0	0	107.5	S102 C103 I122 V123 I129 V132 F147 T149	S102-V109 CarbonylContact O-C 3.59Å; S102-V109 WeakPolarHBondContact O-CA 3.38Å; C103-V109 HydrophobicContact CB-CG2 4.09Å; V109-I122 WeakPolarHBondContact O-CA 3.36Å; V109-V123 HydrophobicContact CB-CB 4.36Å; V109-V123 PolarHBondContact N-O 2.96Å; V109-V123 PolarHBondContact O-N 3.02Å; V109-I129 HydrophobicContact CG2-CB 4.31Å; V109-I129 HydrophobicContact CG2-CG1 4.1Å; V109-I129 HydrophobicContact CG2-CG2 3.96Å; V109-V132 HydrophobicContact CG1-CG2 3.83Å; V109-F147 HydrophobicContact CG1-CD2 4.43Å; V109-F147 HydrophobicContact CG1-CE2 4.22Å; V109-T149 HydrophobicContact CG2-CG2 3.76Å
110	V	98.4	Very high	95	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.8	-179.1	-179.9	0	0	0	0	108.4	A83 A101 S102 I122	A83-V110 HydrophobicContact CB-CB 4.19Å; A83-V110 HydrophobicContact CB-CG1 4.24Å; A83-V110 HydrophobicContact CB-CG2 4.09Å; A101-V110 CarbonylContact C-O 3.56Å; A101-V110 VanDerWaalsContact CA-O 3.26Å; A101-V110 WeakPolarHBondContact CA-O 3.43Å; S102-V110 PolarHBondContact N-O 2.84Å; S102-V110 PolarHBondContact O-N 2.79Å; S102-V110 PolarHBondContact OG-O 2.85Å; V110-I122 HydrophobicContact CG1-CG1 4.35Å; V110-I122 HydrophobicContact CG2-CG1 4.2Å; V110-I122 HydrophobicContact CG2-CG2 4.28Å
111	I	97.6	Very high	94.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.6	168.6	-59.5	174.5	0	0	0	107	Y99 V100 A101 S120 R121 I134 F138 F147	Y99-I111 HydrophobicContact CD1-CG2 4.22Å; V100-I111 CarbonylContact O-C 3.58Å; V100-I111 WeakPolarHBondContact O-CA 3.35Å; A101-I111 HydrophobicContact CB-CG1 4.15Å; I111-S120 CarbonylContact O-C 3.54Å; I111-S120 VanDerWaalsContact O-CA 3.26Å; I111-S120 WeakPolarHBondContact O-CA 3.41Å; I111-R121 PolarHBondContact N-O 3.13Å; I111-R121 PolarHBondContact O-N 3.36Å; I111-I134 HydrophobicContact CD1-CG2 4.43Å; I111-F138 HydrophobicContact CD1-CE2 4.16Å; I111-F138 HydrophobicContact CD1-CZ 3.96Å; I111-F138 HydrophobicContact CG2-CE1 3.86Å; I111-F138 HydrophobicContact CG2-CZ 3.88Å; I111-F147 HydrophobicContact CD1-CB 4.34Å; I111-F147 HydrophobicContact CD1-CD1 3.51Å; I111-F147 HydrophobicContact CD1-CD2 4.48Å; I111-F147 HydrophobicContact CD1-CE1 3.82Å; I111-F147 HydrophobicContact CD1-CG 3.88Å; I111-F147 HydrophobicContact CD1-CZ 4.45Å
112	Y	97.1	Very high	94.6	Very high	68 Å²	68	47.2 Å²	47.2	27%	0.267	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.8	-175.5	-175.2	-91.4	0	0	0	110.1	F81 Y99 V100 L114	F81-Y112 HydrophobicContact CD1-CD1 4.43Å; F81-Y112 HydrophobicContact CD1-CE1 4.23Å; F81-Y112 HydrophobicContact CD1-CE2 4.4Å; F81-Y112 AromaticContact CE1-CD1 3.55Å; F81-Y112 HydrophobicContact CE1-CD1 3.55Å; F81-Y112 HydrophobicContact CE1-CD2 4.19Å; F81-Y112 AromaticContact CE1-CE1 3.73Å; F81-Y112 HydrophobicContact CE1-CE1 3.73Å; F81-Y112 HydrophobicContact CE1-CE2 4.34Å; F81-Y112 AromaticContact CE1-CG 3.8Å; F81-Y112 HydrophobicContact CE1-CG 3.8Å; F81-Y112 HydrophobicContact CE2-CD2 4.09Å; F81-Y112 HydrophobicContact CE2-CG 4.02Å; F81-Y112 AromaticContact CZ-CD1 3.66Å; F81-Y112 HydrophobicContact CZ-CD1 3.66Å; F81-Y112 AromaticContact CZ-CD2 3.92Å; F81-Y112 HydrophobicContact CZ-CD2 3.92Å; F81-Y112 HydrophobicContact CZ-CE1 4.27Å; F81-Y112 HydrophobicContact CZ-CE2 4.49Å; F81-Y112 AromaticContact CZ-CG 3.45Å; F81-Y112 HydrophobicContact CZ-CG 3.45Å; F81-Y112 VanDerWaalsContact CZ-CG 3.45Å; Y99-Y112 WeakPolarHBondContact CA-O 3.35Å; V100-Y112 PolarHBondContact N-O 3.36Å; V100-Y112 PolarHBondContact O-N 3.49Å; Y112-L114 HydrophobicContact CD1-CD2 3.93Å; Y112-L114 HydrophobicContact CE1-CD2 4.07Å
113	G	95.6	Very high	94.4	Very high	4 Å²	4	48.2 Å²	48.2	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.3	171.5	0	0	0	0	0	111.2	E98 Y99 G116 S120	E98-G113 CarbonylContact O-C 3.56Å; E98-G113 WeakPolarHBondContact O-CA 3.42Å; Y99-G113 VanDerWaalsContact CD1-CA 3.47Å; G113-G116 CarbonylContact C-O 3.58Å; G113-G116 VanDerWaalsContact C-O 3.3Å; G113-G116 WeakPolarHBondContact CA-O 3.42Å; G113-G116 VanDerWaalsContact O-O 3.1Å; G113-S120 PolarHBondContact N-OG 3.26Å
114	L	93.4	Very high	94.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.278	C	S	.	.	S	Bend	trans	-75.6	-29.5	-177.1	-65.6	177.6	0	0	0	112.4	F56 L68 K79 G97 E98 V100 Y112	F56-L114 HydrophobicContact CE1-CD1 3.66Å; F56-L114 HydrophobicContact CE2-CD1 3.86Å; F56-L114 HydrophobicContact CZ-CD1 3.22Å; L68-L114 HydrophobicContact CD1-CD2 4.09Å; L68-L114 HydrophobicContact CD2-CD1 3.7Å; L68-L114 HydrophobicContact CD2-CD2 3.44Å; L68-L114 VanDerWaalsContact CD2-CD2 3.44Å; L68-L114 HydrophobicContact CD2-CG 4.23Å; L68-L114 HydrophobicContact CG-CD2 4.43Å; K79-L114 HydrophobicContact CD-CD2 4.36Å; K79-L114 WeakPolarHBondContact CE-O 3.31Å; K79-L114 PolarHBondContact NZ-O 2.88Å; G97-L114 WeakPolarHBondContact O-CD1 3.37Å; E98-L114 PolarHBondContact O-N 3.06Å; V100-L114 HydrophobicContact CG2-CD1 3.73Å; V100-L114 HydrophobicContact CG2-CD2 4.02Å; V100-L114 HydrophobicContact CG2-CG 3.94Å; Y112-L114 HydrophobicContact CD1-CD2 3.93Å; Y112-L114 HydrophobicContact CE1-CD2 4.07Å
115	F	89.6	Confident	93.9	Very high	135 Å²	135	54.3 Å²	54.3	59%	0.592	29%	0.285	S	S	*	.	S	Bend	trans	-119.6	3.6	-178.1	-53.6	-74.6	0	0	0	113.6	E98	E98-F115 HydrophobicContact CG-CD2 4.32Å
116	G	86.4	Confident	93.6	Very high	36 Å²	36	57.7 Å²	57.7	37%	0.371	30%	0.303	S	S	.	.			trans	-170.6	165.9	179.6	0	0	0	0	0	111.2	G113	G113-G116 CarbonylContact C-O 3.58Å; G113-G116 VanDerWaalsContact C-O 3.3Å; G113-G116 WeakPolarHBondContact CA-O 3.42Å; G113-G116 VanDerWaalsContact O-O 3.1Å
117	S	86.6	Confident	93.3	Very high	98 Å²	98	59.6 Å²	59.6	69%	0.685	31%	0.307	S	S	*	.	S	Bend	trans	-107.8	1.6	-178.6	57.8	0	0	0	0	114.3	H119 S120	S117-H119 VanDerWaalsContact C-N 3.26Å; S117-H119 PolarHBondContact O-N 3.49Å; S117-H119 VanDerWaalsContact O-N 3.15Å; S117-S120 WeakPolarHBondContact O-CB 3.28Å; S117-S120 PolarHBondContact O-N 3.06Å
118	E	87.5	Confident	93.3	Very high	155 Å²	155	62.5 Å²	62.5	72%	0.724	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.8	-168.1	-60	-177.5	172.3	0	0	113.8
119	H	89.6	Confident	93.3	Very high	15 Å²	15	59.1 Å²	59.1	7%	0.069	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	10.9	175.8	-51.1	-29.3	0	0	0	113.3	Y99 S117 R121 F138 E141 Q145	Y99-H119 HydrophobicContact CD1-CB 4.48Å; Y99-H119 HydrophobicContact CE1-CB 3.64Å; Y99-H119 AromaticContact CZ-CD2 3.88Å; Y99-H119 PolarHBondContact OH-CD2 2.97Å; S117-H119 VanDerWaalsContact C-N 3.26Å; S117-H119 PolarHBondContact O-N 3.49Å; S117-H119 VanDerWaalsContact O-N 3.15Å; H119-R121 PolarHBondContact O-N 3.24Å; H119-F138 HydrophobicContact CB-CE1 3.98Å; H119-E141 IonicContact CE1-OE1 3.18Å; H119-E141 IonicContact NE2-OE1 3.58Å; H119-Q145 HydrophobicContact CB-CG 4.08Å
120	S	93.5	Very high	93.1	Very high	42 Å²	42	63.6 Å²	63.6	29%	0.294	33%	0.327	S	S	.	.			trans	-64.6	132.2	172.1	-66.1	0	0	0	0	110.1	I111 G113 S117	I111-S120 CarbonylContact O-C 3.54Å; I111-S120 VanDerWaalsContact O-CA 3.26Å; I111-S120 WeakPolarHBondContact O-CA 3.41Å; G113-S120 PolarHBondContact N-OG 3.26Å; S117-S120 WeakPolarHBondContact O-CB 3.28Å; S117-S120 PolarHBondContact O-N 3.06Å
121	R	93.2	Very high	93.1	Very high	142 Å²	142	63.2 Å²	63.2	54%	0.536	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	150.1	-178.8	-172.6	169.3	-177.4	80.7	5.6	112.5	I111 H119 V123	I111-R121 PolarHBondContact N-O 3.13Å; I111-R121 PolarHBondContact O-N 3.36Å; H119-R121 PolarHBondContact O-N 3.24Å; R121-V123 HydrophobicContact CG-CG2 4.18Å
122	I	95.1	Very high	93.2	Very high	100 Å²	100	63.1 Å²	63.1	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127	166.5	-55	176.3	0	0	0	108	K108 V109 V110	K108-I122 HydrophobicContact CD-CG2 4.33Å; V109-I122 WeakPolarHBondContact O-CA 3.36Å; V110-I122 HydrophobicContact CG1-CG1 4.35Å; V110-I122 HydrophobicContact CG2-CG1 4.2Å; V110-I122 HydrophobicContact CG2-CG2 4.28Å
123	V	94.3	Very high	93.2	Very high	21 Å²	21	60 Å²	60	13%	0.127	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.4	175.1	-178.3	0	0	0	0	107.6	K108 V109 R121 M125 F147	K108-V123 CarbonylContact C-O 3.53Å; K108-V123 WeakPolarHBondContact CA-O 3.48Å; V109-V123 HydrophobicContact CB-CB 4.36Å; V109-V123 PolarHBondContact N-O 2.96Å; V109-V123 PolarHBondContact O-N 3.02Å; R121-V123 HydrophobicContact CG-CG2 4.18Å; V123-M125 HydrophobicContact CG1-CG 4.49Å; V123-M125 HydrophobicContact CG1-SD 3.97Å; V123-F147 HydrophobicContact CG2-CZ 3.99Å
124	T	95.2	Very high	93.3	Very high	102 Å²	102	60 Å²	60	63%	0.626	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.4	176.5	-50.7	0	0	0	0	109
125	M	91.8	Very high	93.5	Very high	27 Å²	27	60.4 Å²	60.4	13%	0.133	31%	0.314	C	S	.	.			trans	-107.5	158.9	177	-56.3	-68.2	-72.2	0	0	109.2	G107 V123 R127 I129	G107-M125 WeakPolarHBondContact O-CB 3.35Å; G107-M125 PolarHBondContact O-N 3.04Å; V123-M125 HydrophobicContact CG1-CG 4.49Å; V123-M125 HydrophobicContact CG1-SD 3.97Å; M125-R127 PolarHBondContact O-N 3.38Å; M125-I129 HydrophobicContact CB-CD1 3.99Å; M125-I129 HydrophobicContact CB-CG1 4.23Å; M125-I129 HydrophobicContact CG-CD1 3.91Å; M125-I129 HydrophobicContact CG-CG1 4.09Å
126	D	91	Very high	93.7	Very high	147 Å²	147	54.9 Å²	54.9	79%	0.786	29%	0.291	S	S	*	.	S	Bend	trans	-82.9	10.7	179.3	60.6	-13.6	0	0	0	113.5
127	R	92.2	Very high	94.1	Very high	75 Å²	75	57 Å²	57	28%	0.283	29%	0.292	S	S	.	.	S	Bend	trans	-152.6	156.4	-174.2	66.6	-157.8	-166.4	-142.3	-3.1	111.7	G107 M125 I129 D151	G107-R127 WeakPolarHBondContact CA-O 3.48Å; M125-R127 PolarHBondContact O-N 3.38Å; R127-I129 HydrophobicContact CG-CD1 4.29Å; R127-D151 WeakPolarHBondContact CD-OD2 3.37Å; R127-D151 WeakPolarHBondContact CG-OD2 3.31Å; R127-D151 IonicContact CZ-OD1 3.88Å; R127-D151 IonicContact CZ-OD2 3.56Å; R127-D151 IonicContact NE-OD1 2.81Å; R127-D151 IonicContact NE-OD2 3.66Å; R127-D151 PolarHBondContact NE-OD2 3.22Å; R127-D151 IonicContact NH2-OD1 3.59Å
128	P	95.3	Very high	94.6	Very high	64 Å²	64	52.4 Å²	52.4	42%	0.416	26%	0.259	S	S	.	.			trans	-58.6	137.1	175	-23.9	34.9	0	0	0	111.9	N105	N105-P128 HydrophobicContact CB-CB 4.3Å
129	I	97.2	Very high	94.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.			trans	-107.4	120.7	175.6	-55.1	-57	0	0	0	108.9	N89 C103 A104 V109 M125 R127 S131 T149	N89-I129 PolarHBondContact ND2-O 3.48Å; C103-I129 HydrophobicContact CB-CB 4.08Å; C103-I129 HydrophobicContact CB-CG2 3.65Å; A104-I129 CarbonylContact C-O 3.55Å; A104-I129 PolarHBondContact O-N 2.96Å; V109-I129 HydrophobicContact CG2-CB 4.31Å; V109-I129 HydrophobicContact CG2-CG1 4.1Å; V109-I129 HydrophobicContact CG2-CG2 3.96Å; M125-I129 HydrophobicContact CB-CD1 3.99Å; M125-I129 HydrophobicContact CB-CG1 4.23Å; M125-I129 HydrophobicContact CG-CD1 3.91Å; M125-I129 HydrophobicContact CG-CG1 4.09Å; R127-I129 HydrophobicContact CG-CD1 4.29Å; I129-S131 WeakPolarHBondContact CG2-O 3.33Å; I129-T149 HydrophobicContact CG2-CG2 4.45Å
130	R	95.9	Very high	94.9	Very high	93 Å²	93	50.7 Å²	50.7	35%	0.351	25%	0.25	S	S	.	.			trans	-96.4	-28.1	-172.7	-70.3	173.5	179.3	-84.9	11.1	112.9	N89 G150 H179 I180	N89-R130 WeakPolarHBondContact CB-O 3.32Å; R130-G150 PolarHBondContact N-O 3.2Å; R130-G150 VanDerWaalsContact N-O 3.09Å; R130-H179 VanDerWaalsContact CZ-CD2 3.44Å; R130-H179 PolarHBondContact NE-CD2 2.86Å; R130-H179 PolarHBondContact NE-ND1 2.86Å; R130-H179 PolarHBondContact NH2-CD2 3.36Å; R130-H179 PolarHBondContact NH2-NE2 3.03Å; R130-I180 WeakPolarHBondContact CB-O 3.37Å
131	S	97.9	Very high	94.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150	178.8	52.4	0	0	0	0	111.5	C103 I129 G150 I180 I183	C103-S131 VanDerWaalsContact SG-C 3.6Å; I129-S131 WeakPolarHBondContact CG2-O 3.33Å; S131-G150 PolarHBondContact N-O 3.22Å; S131-G150 VanDerWaalsContact N-O 3.15Å; S131-G150 PolarHBondContact O-N 3.45Å; S131-G150 WeakPolarHBondContact OG-CA 3.5Å; S131-G150 PolarHBondContact OG-O 2.96Å; S131-I180 PolarHBondContact OG-O 3.06Å; S131-I183 VanDerWaalsContact OG-CD1 3.25Å; S131-I183 WeakPolarHBondContact OG-CD1 3.39Å; S131-I183 WeakPolarHBondContact OG-CG1 3.45Å
132	V	98.4	Very high	94.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.2	176.6	67	0	0	0	0	110.1	H90 A101 C103 V109 V148 T149	H90-V132 HydrophobicContact CB-CG1 4.41Å; H90-V132 PolarHBondContact CE1-O 3.39Å; H90-V132 PolarHBondContact ND1-N 3.05Å; H90-V132 PolarHBondContact ND1-O 2.86Å; A101-V132 HydrophobicContact CB-CG1 4.35Å; A101-V132 HydrophobicContact CB-CG2 4.16Å; C103-V132 HydrophobicContact CB-CB 3.96Å; C103-V132 HydrophobicContact CB-CG1 3.88Å; V109-V132 HydrophobicContact CG1-CG2 3.83Å; V132-V148 CarbonylContact C-O 3.36Å; V132-V148 WeakPolarHBondContact CA-O 3.29Å; V132-V148 WeakPolarHBondContact CG2-O 3.41Å; V132-T149 HydrophobicContact CG2-CG2 4.49Å
133	A	98.5	Very high	93.7	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.7	167.4	0	0	0	0	0	109.7	F147 V148 I183 W185	A133-F147 CarbonylContact O-C 3.6Å; A133-F147 WeakPolarHBondContact O-CA 3.5Å; A133-V148 PolarHBondContact N-O 2.92Å; A133-V148 PolarHBondContact O-N 3.12Å; A133-I183 HydrophobicContact CB-CB 4.06Å; A133-I183 HydrophobicContact CB-CG2 3.53Å; A133-W185 HydrophobicContact CB-CB 4.16Å; A133-W185 HydrophobicContact CB-CE3 4.42Å
134	I	97.5	Very high	93.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	156	169.7	49.5	176.4	0	0	0	110.2	S92 D94 Y99 A101 I111 F138 F147	S92-I134 WeakPolarHBondContact OG-CG1 3.25Å; S92-I134 PolarHBondContact OG-N 2.85Å; S92-I134 VanDerWaalsContact OG-N 3.13Å; D94-I134 HydrophobicContact CB-CD1 3.96Å; Y99-I134 WeakPolarHBondContact O-CD1 3.41Å; A101-I134 HydrophobicContact CB-CB 4.47Å; A101-I134 HydrophobicContact CB-CD1 4.43Å; A101-I134 HydrophobicContact CB-CG1 4.41Å; A101-I134 HydrophobicContact CB-CG2 3.38Å; I111-I134 HydrophobicContact CD1-CG2 4.43Å; I134-F138 HydrophobicContact CB-CB 4.38Å; I134-F138 HydrophobicContact CB-CD2 4.08Å; I134-F138 HydrophobicContact CB-CG 4.4Å; I134-F138 HydrophobicContact CD1-CB 4.38Å; I134-F138 HydrophobicContact CG2-CD2 4.14Å; I134-F138 HydrophobicContact CG2-CE2 4.37Å; I134-F147 HydrophobicContact CB-CB 4.47Å; I134-F147 HydrophobicContact CG2-CB 3.73Å
135	H	96.7	Very high	93.1	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.056	23%	0.229	C	C	.	.			trans	-55.1	135.4	171.5	-169.4	-83.9	0	0	0	109.4	E137 F138 L143 Q146 W185	H135-E137 PolarHBondContact ND1-N 3.42Å; H135-E137 PolarHBondContact O-N 3.42Å; H135-E137 VanDerWaalsContact O-N 3.07Å; H135-F138 WeakPolarHBondContact O-CB 3.47Å; H135-F138 PolarHBondContact O-N 3.43Å; H135-L143 WeakPolarHBondContact CE1-CD1 3.16Å; H135-Q146 HydrophobicContact CB-CB 4.13Å; H135-Q146 WeakPolarHBondContact CB-O 3.19Å; H135-Q146 PolarHBondContact N-O 3.41Å; H135-W185 HydrophobicContact CB-CH2 4.2Å; H135-W185 HydrophobicContact CB-CZ2 4.37Å; H135-W185 HydrophobicContact CB-CZ3 4.32Å; H135-W185 AromaticContact CD2-CE2 3.79Å; H135-W185 AromaticContact CD2-CZ2 3.45Å; H135-W185 VanDerWaalsContact CD2-CZ2 3.45Å; H135-W185 WeakPolarHBondContact CD2-CZ2 3.36Å
136	P	95	Very high	93.3	Very high	18 Å²	18	44 Å²	44	12%	0.117	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32	-178.7	-28.6	35.6	0	0	0	113.6	I95 W185	I95-P136 WeakPolarHBondContact CB-O 3.41Å; I95-P136 HydrophobicContact CD1-CB 3.62Å; I95-P136 HydrophobicContact CG1-CB 4.07Å; I95-P136 PolarHBondContact N-O 2.88Å; P136-W185 HydrophobicContact CG-CG 4.31Å; P136-W185 WeakPolarHBondContact CG-O 3.47Å
137	E	94.9	Very high	93.6	Very high	81 Å²	81	37.1 Å²	37.1	38%	0.379	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	47.3	173.5	-58.2	-177.3	72.9	0	0	112.2	H135 S139 R140 L143	H135-E137 PolarHBondContact ND1-N 3.42Å; H135-E137 PolarHBondContact O-N 3.42Å; H135-E137 VanDerWaalsContact O-N 3.07Å; E137-S139 VanDerWaalsContact C-N 3.3Å; E137-S139 PolarHBondContact O-N 3.3Å; E137-R140 HydrophobicContact CB-CB 4.2Å; E137-R140 WeakPolarHBondContact O-CB 3.47Å; E137-R140 PolarHBondContact O-N 2.96Å; E137-R140 VanDerWaalsContact O-N 3.08Å; E137-R140 IonicContact OE1-CZ 2.69Å; E137-R140 IonicContact OE1-NE 3.62Å; E137-R140 IonicContact OE1-NH1 2.95Å; E137-R140 PolarHBondContact OE1-NH1 3.21Å; E137-R140 IonicContact OE2-CZ 3.16Å; E137-R140 IonicContact OE2-NH1 3.77Å; E137-R140 PolarHBondContact OE2-NH1 2.84Å; E137-R140 VanDerWaalsContact OE2-NH1 3.08Å; E137-L143 HydrophobicContact CB-CD1 3.95Å
138	F	95.6	Very high	93.9	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.4	-175.5	-174.6	-92.9	0	0	0	113.5	D94 Y99 I111 H119 I134 H135 R140 Q145 Q146	D94-F138 HydrophobicContact CB-CB 3.96Å; Y99-F138 HydrophobicContact CD1-CD1 4.1Å; Y99-F138 AromaticContact CD1-CE1 3.93Å; Y99-F138 HydrophobicContact CD1-CE1 3.93Å; Y99-F138 AromaticContact CD2-CD1 3.75Å; Y99-F138 HydrophobicContact CD2-CD1 3.75Å; Y99-F138 HydrophobicContact CD2-CE1 4.34Å; Y99-F138 HydrophobicContact CE1-CE1 4.36Å; Y99-F138 HydrophobicContact CE2-CD1 4.38Å; Y99-F138 AromaticContact CG-CD1 3.59Å; Y99-F138 HydrophobicContact CG-CD1 3.59Å; Y99-F138 AromaticContact CG-CE1 3.91Å; Y99-F138 HydrophobicContact CG-CE1 3.91Å; I111-F138 HydrophobicContact CD1-CE2 4.16Å; I111-F138 HydrophobicContact CD1-CZ 3.96Å; I111-F138 HydrophobicContact CG2-CE1 3.86Å; I111-F138 HydrophobicContact CG2-CZ 3.88Å; H119-F138 HydrophobicContact CB-CE1 3.98Å; I134-F138 HydrophobicContact CB-CB 4.38Å; I134-F138 HydrophobicContact CB-CD2 4.08Å; I134-F138 HydrophobicContact CB-CG 4.4Å; I134-F138 HydrophobicContact CD1-CB 4.38Å; I134-F138 HydrophobicContact CG2-CD2 4.14Å; I134-F138 HydrophobicContact CG2-CE2 4.37Å; H135-F138 WeakPolarHBondContact O-CB 3.47Å; H135-F138 PolarHBondContact O-N 3.43Å; F138-R140 PolarHBondContact O-N 3.37Å; F138-Q145 HydrophobicContact CD1-CG 4.39Å; F138-Q145 HydrophobicContact CD2-CB 4.3Å; F138-Q145 HydrophobicContact CE1-CB 4.19Å; F138-Q145 HydrophobicContact CE1-CG 3.88Å; F138-Q145 HydrophobicContact CE2-CB 3.65Å; F138-Q145 HydrophobicContact CE2-CG 4.23Å; F138-Q145 HydrophobicContact CZ-CB 3.58Å; F138-Q145 HydrophobicContact CZ-CG 3.8Å; F138-Q145 PolarHBondContact O-NE2 3.29Å; F138-Q145 VanDerWaalsContact O-NE2 3.15Å; F138-Q146 VanDerWaalsContact CD2-O 3.3Å; F138-Q146 WeakPolarHBondContact CD2-O 3.41Å
139	S	92.7	Very high	94	Very high	29 Å²	29	30.5 Å²	30.5	20%	0.203	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.5	175.4	53.2	0	0	0	0	113.6	D94 A96 E98 E137 E141	D94-S139 WeakPolarHBondContact OD2-CB 3.48Å; D94-S139 PolarHBondContact OD2-OG 3.25Å; A96-S139 WeakPolarHBondContact CB-OG 3.29Å; E98-S139 WeakPolarHBondContact OE2-CB 3.46Å; E137-S139 VanDerWaalsContact C-N 3.3Å; E137-S139 PolarHBondContact O-N 3.3Å; S139-E141 PolarHBondContact O-N 3.05Å; S139-E141 VanDerWaalsContact O-N 3.1Å
140	R	92	Very high	94	Very high	105 Å²	105	30.5 Å²	30.5	40%	0.396	16%	0.155	S	C	.	.			trans	-76.3	101.8	-178.7	-156	175.5	82.7	-169.4	5.8	111	E137 F138 S142 L143 Q145	E137-R140 HydrophobicContact CB-CB 4.2Å; E137-R140 WeakPolarHBondContact O-CB 3.47Å; E137-R140 PolarHBondContact O-N 2.96Å; E137-R140 VanDerWaalsContact O-N 3.08Å; E137-R140 IonicContact OE1-CZ 2.69Å; E137-R140 IonicContact OE1-NE 3.62Å; E137-R140 IonicContact OE1-NH1 2.95Å; E137-R140 PolarHBondContact OE1-NH1 3.21Å; E137-R140 IonicContact OE2-CZ 3.16Å; E137-R140 IonicContact OE2-NH1 3.77Å; E137-R140 PolarHBondContact OE2-NH1 2.84Å; E137-R140 VanDerWaalsContact OE2-NH1 3.08Å; F138-R140 PolarHBondContact O-N 3.37Å; R140-S142 PolarHBondContact NE-OG 3.39Å; R140-S142 PolarHBondContact O-N 3.28Å; R140-S142 VanDerWaalsContact O-N 3.09Å; R140-L143 HydrophobicContact CB-CD1 4.4Å; R140-L143 VanDerWaalsContact NH2-CD2 3.25Å; R140-L143 VanDerWaalsContact NH2-CG 3.34Å; R140-L143 PolarHBondContact O-N 2.92Å; R140-Q145 PolarHBondContact O-NE2 3.29Å
141	E	85	Confident	93.9	Very high	125 Å²	125	26.7 Å²	26.7	58%	0.584	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-48.8	-39.4	-178.1	-67.8	-155.6	138.9	0	0	114.6	H119 S139 L143 G144 Q145	H119-E141 IonicContact CE1-OE1 3.18Å; H119-E141 IonicContact NE2-OE1 3.58Å; S139-E141 PolarHBondContact O-N 3.05Å; S139-E141 VanDerWaalsContact O-N 3.1Å; E141-L143 PolarHBondContact O-N 3.17Å; E141-G144 PolarHBondContact O-N 3.12Å; E141-G144 VanDerWaalsContact O-N 3.1Å; E141-Q145 VanDerWaalsContact CA-NE2 3.34Å
142	S	85.5	Confident	93.7	Very high	101 Å²	101	32.2 Å²	32.2	71%	0.706	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-62.5	-14.4	-177.6	61.8	0	0	0	0	115	R140	R140-S142 PolarHBondContact NE-OG 3.39Å; R140-S142 PolarHBondContact O-N 3.28Å; R140-S142 VanDerWaalsContact O-N 3.09Å
143	L	85.4	Confident	93.5	Very high	40 Å²	40	33.1 Å²	33.1	21%	0.209	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-96.6	-0.7	179.1	-69.3	179.7	0	0	0	114.3	H135 E137 R140 E141 Q146	H135-L143 WeakPolarHBondContact CE1-CD1 3.16Å; E137-L143 HydrophobicContact CB-CD1 3.95Å; R140-L143 HydrophobicContact CB-CD1 4.4Å; R140-L143 VanDerWaalsContact NH2-CD2 3.25Å; R140-L143 VanDerWaalsContact NH2-CG 3.34Å; R140-L143 PolarHBondContact O-N 2.92Å; E141-L143 PolarHBondContact O-N 3.17Å; L143-Q146 WeakPolarHBondContact O-CG 3.32Å
144	G	84.7	Confident	93.5	Very high	14 Å²	14	33 Å²	33	14%	0.144	17%	0.168	C	C	.	.			trans	70.5	36.7	174.8	0	0	0	0	0	114.7	E141 Q146 K159	E141-G144 PolarHBondContact O-N 3.12Å; E141-G144 VanDerWaalsContact O-N 3.1Å; G144-Q146 PolarHBondContact O-N 3.42Å; G144-K159 WeakPolarHBondContact O-CA 3.35Å; G144-K159 WeakPolarHBondContact O-CB 3.35Å; G144-K159 PolarHBondContact O-N 2.86Å
145	Q	92.6	Very high	93.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.019	17%	0.17	C	C	.	.			trans	38.1	72.1	171.9	-76.5	63.4	70.4	0	0	112.8	H119 F138 R140 E141 K159 Y165	H119-Q145 HydrophobicContact CB-CG 4.08Å; F138-Q145 HydrophobicContact CD1-CG 4.39Å; F138-Q145 HydrophobicContact CD2-CB 4.3Å; F138-Q145 HydrophobicContact CE1-CB 4.19Å; F138-Q145 HydrophobicContact CE1-CG 3.88Å; F138-Q145 HydrophobicContact CE2-CB 3.65Å; F138-Q145 HydrophobicContact CE2-CG 4.23Å; F138-Q145 HydrophobicContact CZ-CB 3.58Å; F138-Q145 HydrophobicContact CZ-CG 3.8Å; F138-Q145 PolarHBondContact O-NE2 3.29Å; F138-Q145 VanDerWaalsContact O-NE2 3.15Å; R140-Q145 PolarHBondContact O-NE2 3.29Å; E141-Q145 VanDerWaalsContact CA-NE2 3.34Å; Q145-K159 HydrophobicContact CB-CB 4.29Å; Q145-K159 HydrophobicContact CB-CD 4.4Å; Q145-Y165 VanDerWaalsContact CB-OH 3.29Å; Q145-Y165 WeakPolarHBondContact CB-OH 3.36Å; Q145-Y165 WeakPolarHBondContact O-CE1 3.28Å; Q145-Y165 PolarHBondContact O-OH 3.02Å
146	Q	95.7	Very high	93.5	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.051	17%	0.169	C	C	.	.			trans	-93.7	143.6	-172.5	-61.9	176.5	-17.2	0	0	112.4	H135 F138 L143 G144 L156 H157 E158 W185	H135-Q146 HydrophobicContact CB-CB 4.13Å; H135-Q146 WeakPolarHBondContact CB-O 3.19Å; H135-Q146 PolarHBondContact N-O 3.41Å; F138-Q146 VanDerWaalsContact CD2-O 3.3Å; F138-Q146 WeakPolarHBondContact CD2-O 3.41Å; L143-Q146 WeakPolarHBondContact O-CG 3.32Å; G144-Q146 PolarHBondContact O-N 3.42Å; Q146-L156 HydrophobicContact CB-CD1 4.2Å; Q146-H157 VanDerWaalsContact CA-O 3.31Å; Q146-H157 WeakPolarHBondContact CA-O 3.48Å; Q146-E158 HydrophobicContact CG-CB 3.99Å; Q146-E158 HydrophobicContact CG-CG 3.83Å; Q146-E158 PolarHBondContact NE2-OE1 3.39Å; Q146-W185 HydrophobicContact CB-CH2 3.82Å; Q146-W185 HydrophobicContact CB-CZ3 4.49Å
147	F	97.4	Very high	93.5	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.9	170.7	70.6	-87.8	0	0	0	111.2	V109 I111 V123 A133 I134 T149 H157 Y165	V109-F147 HydrophobicContact CG1-CD2 4.43Å; V109-F147 HydrophobicContact CG1-CE2 4.22Å; I111-F147 HydrophobicContact CD1-CB 4.34Å; I111-F147 HydrophobicContact CD1-CD1 3.51Å; I111-F147 HydrophobicContact CD1-CD2 4.48Å; I111-F147 HydrophobicContact CD1-CE1 3.82Å; I111-F147 HydrophobicContact CD1-CG 3.88Å; I111-F147 HydrophobicContact CD1-CZ 4.45Å; V123-F147 HydrophobicContact CG2-CZ 3.99Å; A133-F147 CarbonylContact O-C 3.6Å; A133-F147 WeakPolarHBondContact O-CA 3.5Å; I134-F147 HydrophobicContact CB-CB 4.47Å; I134-F147 HydrophobicContact CG2-CB 3.73Å; F147-T149 HydrophobicContact CD2-CG2 3.95Å; F147-T149 HydrophobicContact CE2-CG2 3.77Å; F147-H157 HydrophobicContact CD1-CB 3.78Å; F147-H157 HydrophobicContact CD2-CB 4.08Å; F147-H157 AromaticContact CD2-CD2 3.79Å; F147-H157 HydrophobicContact CE1-CB 3.37Å; F147-H157 HydrophobicContact CE2-CB 3.68Å; F147-H157 AromaticContact CE2-CD2 3.36Å; F147-H157 WeakPolarHBondContact CE2-CD2 3.24Å; F147-H157 AromaticContact CE2-CG 3.42Å; F147-H157 VanDerWaalsContact CE2-CG 3.42Å; F147-H157 AromaticContact CE2-ND1 3.93Å; F147-H157 AromaticContact CE2-NE2 3.84Å; F147-H157 HydrophobicContact CG-CB 4.11Å; F147-H157 HydrophobicContact CZ-CB 3.29Å; F147-H157 AromaticContact CZ-CD2 3.85Å; F147-H157 AromaticContact CZ-CG 3.37Å; F147-H157 AromaticContact CZ-ND1 3.72Å; F147-H157 PolarHBondContact N-O 3.39Å; F147-H157 PolarHBondContact O-N 3.18Å; F147-Y165 HydrophobicContact CD1-CD1 4.43Å; F147-Y165 AromaticContact CD1-CE1 3.85Å; F147-Y165 HydrophobicContact CD1-CE1 3.85Å; F147-Y165 AromaticContact CE1-CD1 3.76Å; F147-Y165 HydrophobicContact CE1-CD1 3.76Å; F147-Y165 AromaticContact CE1-CE1 3.48Å; F147-Y165 HydrophobicContact CE1-CE1 3.48Å; F147-Y165 VanDerWaalsContact CE1-CE1 3.48Å
148	V	98.3	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.6	-178.6	176.7	0	0	0	0	109.4	V132 A133 L154 V155 L156 I183 W185 I190	V132-V148 CarbonylContact C-O 3.36Å; V132-V148 WeakPolarHBondContact CA-O 3.29Å; V132-V148 WeakPolarHBondContact CG2-O 3.41Å; A133-V148 PolarHBondContact N-O 2.92Å; A133-V148 PolarHBondContact O-N 3.12Å; V148-L154 HydrophobicContact CG1-CD1 3.35Å; V148-L154 HydrophobicContact CG1-CD2 4.29Å; V148-L154 HydrophobicContact CG1-CG 3.59Å; V148-V155 VanDerWaalsContact CA-O 3.27Å; V148-V155 WeakPolarHBondContact CA-O 3.45Å; V148-L156 HydrophobicContact CG2-CB 4.23Å; V148-L156 HydrophobicContact CG2-CD1 3.66Å; V148-I183 HydrophobicContact CG1-CD1 4.15Å; V148-W185 HydrophobicContact CB-CE3 4.45Å; V148-W185 HydrophobicContact CB-CZ3 4.22Å; V148-W185 HydrophobicContact CG2-CE3 3.94Å; V148-W185 HydrophobicContact CG2-CH2 3.93Å; V148-W185 HydrophobicContact CG2-CZ3 3.43Å; V148-W185 VanDerWaalsContact CG2-CZ3 3.43Å; V148-I190 HydrophobicContact CG2-CD1 3.86Å
149	T	98.3	Very high	93.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.3	176.5	58.3	0	0	0	0	110.2	V109 I129 V132 F147 V155 H157	V109-T149 HydrophobicContact CG2-CG2 3.76Å; I129-T149 HydrophobicContact CG2-CG2 4.45Å; V132-T149 HydrophobicContact CG2-CG2 4.49Å; F147-T149 HydrophobicContact CD2-CG2 3.95Å; F147-T149 HydrophobicContact CE2-CG2 3.77Å; T149-V155 PolarHBondContact N-O 3.24Å; T149-V155 PolarHBondContact O-N 2.98Å; T149-H157 WeakPolarHBondContact CG2-NE2 3.49Å; T149-H157 PolarHBondContact OG1-NE2 2.91Å
150	G	96.4	Very high	92.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	179.2	0	0	0	0	0	113.1	R130 S131 V153	R130-G150 PolarHBondContact N-O 3.2Å; R130-G150 VanDerWaalsContact N-O 3.09Å; S131-G150 PolarHBondContact N-O 3.22Å; S131-G150 VanDerWaalsContact N-O 3.15Å; S131-G150 PolarHBondContact O-N 3.45Å; S131-G150 WeakPolarHBondContact OG-CA 3.5Å; S131-G150 PolarHBondContact OG-O 2.96Å; G150-V153 WeakPolarHBondContact CA-O 3.19Å
151	D	94.3	Very high	92.6	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.07	20%	0.202	C	C	.	.	S	Bend	trans	-144.8	-114.3	165	71.4	-19	0	0	0	109.6	R127 V153 H179 I180	R127-D151 WeakPolarHBondContact CD-OD2 3.37Å; R127-D151 WeakPolarHBondContact CG-OD2 3.31Å; R127-D151 IonicContact CZ-OD1 3.88Å; R127-D151 IonicContact CZ-OD2 3.56Å; R127-D151 IonicContact NE-OD1 2.81Å; R127-D151 IonicContact NE-OD2 3.66Å; R127-D151 PolarHBondContact NE-OD2 3.22Å; R127-D151 IonicContact NH2-OD1 3.59Å; D151-V153 PolarHBondContact N-O 3.29Å; D151-V153 VanDerWaalsContact N-O 3.11Å; D151-V153 VanDerWaalsContact OD1-CG2 3.26Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.36Å; D151-V153 PolarHBondContact OD1-N 2.92Å; D151-H179 CarbonylContact O-C 3.48Å; D151-I180 WeakPolarHBondContact O-CB 3.32Å; D151-I180 VanDerWaalsContact O-CG1 3.29Å; D151-I180 WeakPolarHBondContact O-CG1 3.22Å; D151-I180 PolarHBondContact O-N 2.81Å
152	R	92.5	Very high	92.5	Very high	115 Å²	115	41.3 Å²	41.3	43%	0.434	21%	0.21	S	C	.	.	S	Bend	trans	-75.4	-16	163.6	-69.8	-174.5	169.3	-176.2	-8.2	112.6	G173 E175	R152-G173 PolarHBondContact O-N 3.25Å; R152-E175 IonicContact NH2-OE1 2.7Å
153	V	95.5	Very high	92.3	Very high	20 Å²	20	40.4 Å²	40.4	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155	178.2	-58.9	0	0	0	0	111.1	G150 D151 V155 L169 F171 I172	G150-V153 WeakPolarHBondContact CA-O 3.19Å; D151-V153 PolarHBondContact N-O 3.29Å; D151-V153 VanDerWaalsContact N-O 3.11Å; D151-V153 VanDerWaalsContact OD1-CG2 3.26Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.36Å; D151-V153 PolarHBondContact OD1-N 2.92Å; V153-V155 HydrophobicContact CG2-CG2 3.74Å; V153-L169 HydrophobicContact CB-CD1 3.73Å; V153-L169 HydrophobicContact CG1-CD1 4.1Å; V153-L169 HydrophobicContact CG2-CD1 4.25Å; V153-F171 WeakPolarHBondContact CA-O 3.31Å; V153-F171 WeakPolarHBondContact CB-O 3.35Å; V153-I172 HydrophobicContact CG1-CB 4.14Å; V153-I172 HydrophobicContact CG1-CD1 4.26Å; V153-I172 HydrophobicContact CG1-CG1 3.87Å
154	L	97.4	Very high	92.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.6	170.7	-164.7	74.6	0	0	0	108.6	V148 L170 F171 I180 I183 I190 F192	V148-L154 HydrophobicContact CG1-CD1 3.35Å; V148-L154 HydrophobicContact CG1-CD2 4.29Å; V148-L154 HydrophobicContact CG1-CG 3.59Å; L154-L170 HydrophobicContact CB-CB 4.33Å; L154-L170 HydrophobicContact CD2-CB 4.03Å; L154-L170 HydrophobicContact CD2-CD1 4.08Å; L154-L170 HydrophobicContact CG-CB 4.35Å; L154-L170 PolarHBondContact O-N 2.92Å; L154-F171 HydrophobicContact CB-CB 3.81Å; L154-F171 PolarHBondContact N-O 3.2Å; L154-F171 PolarHBondContact O-N 3.41Å; L154-I180 HydrophobicContact CB-CD1 3.95Å; L154-I180 HydrophobicContact CD1-CD1 4.13Å; L154-I183 HydrophobicContact CD1-CD1 3.67Å; L154-I183 HydrophobicContact CD1-CG1 4.11Å; L154-I190 HydrophobicContact CD2-CG2 4.22Å; L154-F192 HydrophobicContact CD1-CB 4.38Å; L154-F192 HydrophobicContact CD1-CG 4.26Å; L154-F192 HydrophobicContact CD2-CD1 3.63Å; L154-F192 HydrophobicContact CD2-CE1 3.63Å; L154-F192 HydrophobicContact CD2-CG 4.13Å; L154-F192 HydrophobicContact CD2-CZ 4.1Å
155	V	97.1	Very high	92.5	Very high	12 Å²	12	48 Å²	48	7%	0.073	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.6	-178.5	-177.9	0	0	0	0	109.7	V148 T149 V153 H157 Q167 Q168 L169	V148-V155 VanDerWaalsContact CA-O 3.27Å; V148-V155 WeakPolarHBondContact CA-O 3.45Å; T149-V155 PolarHBondContact N-O 3.24Å; T149-V155 PolarHBondContact O-N 2.98Å; V153-V155 HydrophobicContact CG2-CG2 3.74Å; V155-H157 PolarHBondContact O-CD2 3.42Å; V155-Q167 HydrophobicContact CG1-CB 3.93Å; V155-Q167 HydrophobicContact CG1-CG 4.24Å; V155-Q168 WeakPolarHBondContact CA-O 3.44Å; V155-L169 HydrophobicContact CG2-CD1 4.16Å
156	L	96.8	Very high	92.4	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.3	168.4	174.4	66.5	0	0	0	109.4	Q146 V148 Q167 Q168 L170 W185 K203	Q146-L156 HydrophobicContact CB-CD1 4.2Å; V148-L156 HydrophobicContact CG2-CB 4.23Å; V148-L156 HydrophobicContact CG2-CD1 3.66Å; L156-Q167 CarbonylContact O-C 3.48Å; L156-Q167 WeakPolarHBondContact O-CA 3.33Å; L156-Q168 HydrophobicContact CB-CB 4.37Å; L156-Q168 PolarHBondContact N-O 3.44Å; L156-Q168 PolarHBondContact O-N 3.24Å; L156-L170 HydrophobicContact CB-CD1 3.81Å; L156-L170 HydrophobicContact CB-CD2 3.96Å; L156-L170 HydrophobicContact CB-CG 3.86Å; L156-L170 HydrophobicContact CD2-CD2 4.37Å; L156-W185 HydrophobicContact CD1-CH2 3.62Å; L156-W185 HydrophobicContact CD1-CZ3 4.24Å; L156-K203 HydrophobicContact CD2-CD 4.43Å
157	H	95.6	Very high	92.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.019	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.6	174.7	-55.4	-110.2	0	0	0	107.6	Q146 F147 T149 V155 Y165 K166 Q167	Q146-H157 VanDerWaalsContact CA-O 3.31Å; Q146-H157 WeakPolarHBondContact CA-O 3.48Å; F147-H157 HydrophobicContact CD1-CB 3.78Å; F147-H157 HydrophobicContact CD2-CB 4.08Å; F147-H157 AromaticContact CD2-CD2 3.79Å; F147-H157 HydrophobicContact CE1-CB 3.37Å; F147-H157 HydrophobicContact CE2-CB 3.68Å; F147-H157 AromaticContact CE2-CD2 3.36Å; F147-H157 WeakPolarHBondContact CE2-CD2 3.24Å; F147-H157 AromaticContact CE2-CG 3.42Å; F147-H157 VanDerWaalsContact CE2-CG 3.42Å; F147-H157 AromaticContact CE2-ND1 3.93Å; F147-H157 AromaticContact CE2-NE2 3.84Å; F147-H157 HydrophobicContact CG-CB 4.11Å; F147-H157 HydrophobicContact CZ-CB 3.29Å; F147-H157 AromaticContact CZ-CD2 3.85Å; F147-H157 AromaticContact CZ-CG 3.37Å; F147-H157 AromaticContact CZ-ND1 3.72Å; F147-H157 PolarHBondContact N-O 3.39Å; F147-H157 PolarHBondContact O-N 3.18Å; T149-H157 WeakPolarHBondContact CG2-NE2 3.49Å; T149-H157 PolarHBondContact OG1-NE2 2.91Å; V155-H157 PolarHBondContact O-CD2 3.42Å; H157-Y165 HydrophobicContact CB-CD1 3.99Å; H157-K166 WeakPolarHBondContact CA-O 3.25Å; H157-Q167 PolarHBondContact CE1-NE2 3.5Å; H157-Q167 PolarHBondContact ND1-NE2 3.03Å
158	E	92.8	Very high	92.1	Very high	66 Å²	66	61.2 Å²	61.2	31%	0.308	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.9	-176.5	174.1	175	-150.7	0	0	110.2	Q146 N160 Y165 K166	Q146-E158 HydrophobicContact CG-CB 3.99Å; Q146-E158 HydrophobicContact CG-CG 3.83Å; Q146-E158 PolarHBondContact NE2-OE1 3.39Å; E158-N160 PolarHBondContact O-N 3.29Å; E158-Y165 CarbonylContact O-C 3.54Å; E158-Y165 WeakPolarHBondContact O-CA 3.21Å; E158-K166 PolarHBondContact N-O 3.33Å; E158-K166 PolarHBondContact O-N 3.32Å
159	K	91.9	Very high	92	Very high	47 Å²	47	65.9 Å²	65.9	20%	0.204	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	121.3	174.6	-172.4	-175.7	170.7	-170.1	0	109.3	G144 Q145 S163 Y165	G144-K159 WeakPolarHBondContact O-CA 3.35Å; G144-K159 WeakPolarHBondContact O-CB 3.35Å; G144-K159 PolarHBondContact O-N 2.86Å; Q145-K159 HydrophobicContact CB-CB 4.29Å; Q145-K159 HydrophobicContact CB-CD 4.4Å; K159-S163 VanDerWaalsContact CE-OG 3.3Å; K159-S163 WeakPolarHBondContact CE-OG 3.46Å; K159-Y165 HydrophobicContact CB-CD1 4.48Å; K159-Y165 HydrophobicContact CB-CD2 4.33Å; K159-Y165 HydrophobicContact CB-CE1 4.1Å; K159-Y165 HydrophobicContact CB-CE2 3.92Å; K159-Y165 HydrophobicContact CD-CE2 4.49Å; K159-Y165 HydrophobicContact CG-CE2 4.14Å
160	N	86.9	Confident	91.9	Very high	61 Å²	61	66.9 Å²	66.9	33%	0.326	32%	0.319	S	S	.	.			trans	-83.8	174.2	172.4	71.3	22.5	0	0	0	111.8	E158 F162 S163 K164	E158-N160 PolarHBondContact O-N 3.29Å; N160-F162 PolarHBondContact O-N 3.35Å; N160-F162 VanDerWaalsContact O-N 3.07Å; N160-F162 WeakPolarHBondContact OD1-CA 3.44Å; N160-F162 WeakPolarHBondContact OD1-CB 3.48Å; N160-F162 PolarHBondContact OD1-N 3.37Å; N160-S163 PolarHBondContact O-N 3.41Å; N160-S163 PolarHBondContact OD1-N 3.29Å; N160-K164 PolarHBondContact N-O 2.95Å; N160-K164 PolarHBondContact ND2-O 3.33Å; N160-K164 PolarHBondContact OD1-N 3.33Å; N160-K164 PolarHBondContact OD1-O 3.2Å
161	L	83.8	Confident	91.9	Very high	178 Å²	178	68.5 Å²	68.5	93%	0.932	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.7	179.3	-71.2	124.4	0	0	0	114.3	S163	L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 2.97Å
162	F	84.2	Confident	91.9	Very high	176 Å²	176	73.4 Å²	73.4	77%	0.772	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	17.1	176.5	-57.8	-71.6	0	0	0	112.8	N160 K164	N160-F162 PolarHBondContact O-N 3.35Å; N160-F162 VanDerWaalsContact O-N 3.07Å; N160-F162 WeakPolarHBondContact OD1-CA 3.44Å; N160-F162 WeakPolarHBondContact OD1-CB 3.48Å; N160-F162 PolarHBondContact OD1-N 3.37Å; F162-K164 PolarHBondContact O-N 2.98Å
163	S	80.1	Confident	91.7	Very high	82 Å²	82	68.6 Å²	68.6	57%	0.573	34%	0.338	S	S	*	.	S	Bend	trans	56.2	18.2	-175	-65.6	0	0	0	0	114.7	K159 N160 L161	K159-S163 VanDerWaalsContact CE-OG 3.3Å; K159-S163 WeakPolarHBondContact CE-OG 3.46Å; N160-S163 PolarHBondContact O-N 3.41Å; N160-S163 PolarHBondContact OD1-N 3.29Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 2.97Å
164	K	86.9	Confident	91.5	Very high	149 Å²	149	73.9 Å²	73.9	65%	0.648	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-94.7	140.8	172	-68.4	-175.4	179.1	-179	0	109.1	N160 F162	N160-K164 PolarHBondContact N-O 2.95Å; N160-K164 PolarHBondContact ND2-O 3.33Å; N160-K164 PolarHBondContact OD1-N 3.33Å; N160-K164 PolarHBondContact OD1-O 3.2Å; F162-K164 PolarHBondContact O-N 2.98Å
165	Y	88.2	Confident	91	Very high	63 Å²	63	81.2 Å²	81.2	25%	0.247	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.2	174.1	-83.9	-100.7	0	0	0	110.5	Q145 F147 H157 E158 K159	Q145-Y165 VanDerWaalsContact CB-OH 3.29Å; Q145-Y165 WeakPolarHBondContact CB-OH 3.36Å; Q145-Y165 WeakPolarHBondContact O-CE1 3.28Å; Q145-Y165 PolarHBondContact O-OH 3.02Å; F147-Y165 HydrophobicContact CD1-CD1 4.43Å; F147-Y165 AromaticContact CD1-CE1 3.85Å; F147-Y165 HydrophobicContact CD1-CE1 3.85Å; F147-Y165 AromaticContact CE1-CD1 3.76Å; F147-Y165 HydrophobicContact CE1-CD1 3.76Å; F147-Y165 AromaticContact CE1-CE1 3.48Å; F147-Y165 HydrophobicContact CE1-CE1 3.48Å; F147-Y165 VanDerWaalsContact CE1-CE1 3.48Å; H157-Y165 HydrophobicContact CB-CD1 3.99Å; E158-Y165 CarbonylContact O-C 3.54Å; E158-Y165 WeakPolarHBondContact O-CA 3.21Å; K159-Y165 HydrophobicContact CB-CD1 4.48Å; K159-Y165 HydrophobicContact CB-CD2 4.33Å; K159-Y165 HydrophobicContact CB-CE1 4.1Å; K159-Y165 HydrophobicContact CB-CE2 3.92Å; K159-Y165 HydrophobicContact CD-CE2 4.49Å; K159-Y165 HydrophobicContact CG-CE2 4.14Å
166	K	91.4	Very high	90.5	Very high	128 Å²	128	89.3 Å²	89.3	56%	0.557	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.3	167.5	-179.7	-175.7	174.6	-171	0	108.3	H157 E158	H157-K166 WeakPolarHBondContact CA-O 3.25Å; E158-K166 PolarHBondContact N-O 3.33Å; E158-K166 PolarHBondContact O-N 3.32Å
167	Q	92.3	Very high	90.2	Very high	111 Å²	111	90.1 Å²	90.1	52%	0.519	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.9	172.1	-67.4	-179.5	-25.9	0	0	109.8	V155 L156 H157	V155-Q167 HydrophobicContact CG1-CB 3.93Å; V155-Q167 HydrophobicContact CG1-CG 4.24Å; L156-Q167 CarbonylContact O-C 3.48Å; L156-Q167 WeakPolarHBondContact O-CA 3.33Å; H157-Q167 PolarHBondContact CE1-NE2 3.5Å; H157-Q167 PolarHBondContact ND1-NE2 3.03Å
168	Q	94.2	Very high	89.9	Confident	55 Å²	55	90.2 Å²	90.2	26%	0.257	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.7	173	-177.5	-178.9	-29.7	0	0	108.9	V155 L156 L170	V155-Q168 WeakPolarHBondContact CA-O 3.44Å; L156-Q168 HydrophobicContact CB-CB 4.37Å; L156-Q168 PolarHBondContact N-O 3.44Å; L156-Q168 PolarHBondContact O-N 3.24Å; Q168-L170 HydrophobicContact CB-CD2 4.48Å; Q168-L170 HydrophobicContact CG-CD2 3.93Å; Q168-L170 PolarHBondContact O-N 2.96Å
169	L	95.5	Very high	89.9	Confident	99 Å²	99	89.2 Å²	89.2	52%	0.518	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.2	171.7	-175.8	67.3	0	0	0	109	V153 V155 F171 I172	V153-L169 HydrophobicContact CB-CD1 3.73Å; V153-L169 HydrophobicContact CG1-CD1 4.1Å; V153-L169 HydrophobicContact CG2-CD1 4.25Å; V155-L169 HydrophobicContact CG2-CD1 4.16Å; L169-F171 WeakPolarHBondContact CD1-O 3.24Å; L169-I172 HydrophobicContact CD2-CB 4.44Å
170	L	96.2	Very high	90.1	Very high	21 Å²	21	87.1 Å²	87.1	11%	0.11	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-35	178.1	-56.9	-169.7	0	0	0	112	L154 L156 Q168 I190 Y201	L154-L170 HydrophobicContact CB-CB 4.33Å; L154-L170 HydrophobicContact CD2-CB 4.03Å; L154-L170 HydrophobicContact CD2-CD1 4.08Å; L154-L170 HydrophobicContact CG-CB 4.35Å; L154-L170 PolarHBondContact O-N 2.92Å; L156-L170 HydrophobicContact CB-CD1 3.81Å; L156-L170 HydrophobicContact CB-CD2 3.96Å; L156-L170 HydrophobicContact CB-CG 3.86Å; L156-L170 HydrophobicContact CD2-CD2 4.37Å; Q168-L170 HydrophobicContact CB-CD2 4.48Å; Q168-L170 HydrophobicContact CG-CD2 3.93Å; Q168-L170 PolarHBondContact O-N 2.96Å; L170-I190 HydrophobicContact CD1-CD1 3.93Å; L170-Y201 HydrophobicContact CB-CD2 4.49Å; L170-Y201 HydrophobicContact CB-CE1 4.38Å; L170-Y201 HydrophobicContact CB-CE2 4.27Å; L170-Y201 HydrophobicContact CD1-CD1 3.92Å; L170-Y201 HydrophobicContact CD1-CE1 3.82Å; L170-Y201 HydrophobicContact CD2-CE1 3.85Å; L170-Y201 HydrophobicContact CG-CE1 4.24Å
171	F	96.1	Very high	90.4	Very high	34 Å²	34	86.4 Å²	86.4	15%	0.149	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	144.9	-178.9	173.8	-97.9	0	0	0	110.9	V153 L154 L169 G173 I180 F192 L199	V153-F171 WeakPolarHBondContact CA-O 3.31Å; V153-F171 WeakPolarHBondContact CB-O 3.35Å; L154-F171 HydrophobicContact CB-CB 3.81Å; L154-F171 PolarHBondContact N-O 3.2Å; L154-F171 PolarHBondContact O-N 3.41Å; L169-F171 WeakPolarHBondContact CD1-O 3.24Å; F171-G173 VanDerWaalsContact CE1-CA 3.48Å; F171-G173 VanDerWaalsContact CE1-N 3.3Å; F171-I180 HydrophobicContact CD1-CD1 4.22Å; F171-F192 HydrophobicContact CB-CE2 4.4Å; F171-F192 HydrophobicContact CB-CZ 3.95Å; F171-F192 AromaticContact CD1-CE2 3.73Å; F171-F192 HydrophobicContact CD1-CE2 3.73Å; F171-F192 HydrophobicContact CD1-CZ 4.05Å; F171-F192 HydrophobicContact CD2-CZ 4.23Å; F171-F192 HydrophobicContact CE1-CE2 4.1Å; F171-F192 AromaticContact CG-CE2 3.99Å; F171-F192 HydrophobicContact CG-CE2 3.99Å; F171-F192 AromaticContact CG-CZ 3.81Å; F171-F192 HydrophobicContact CG-CZ 3.81Å; F171-L199 HydrophobicContact CE2-CD2 4.09Å; F171-L199 HydrophobicContact CZ-CD2 4.38Å
172	I	94.6	Very high	91	Very high	116 Å²	116	78.9 Å²	78.9	60%	0.595	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.3	171.8	-177.7	158.5	0	0	0	109.4	V153 L169	V153-I172 HydrophobicContact CG1-CB 4.14Å; V153-I172 HydrophobicContact CG1-CD1 4.26Å; V153-I172 HydrophobicContact CG1-CG1 3.87Å; L169-I172 HydrophobicContact CD2-CB 4.44Å
173	G	89.5	Confident	91.7	Very high	14 Å²	14	70.8 Å²	70.8	14%	0.144	34%	0.337	C	S	.	.			trans	-77.5	147.5	175	0	0	0	0	0	111.3	R152 F171	R152-G173 PolarHBondContact O-N 3.25Å; F171-G173 VanDerWaalsContact CE1-CA 3.48Å; F171-G173 VanDerWaalsContact CE1-N 3.3Å
174	K	90	Very high	92.5	Very high	131 Å²	131	68.2 Å²	68.2	57%	0.57	32%	0.319	S	S	*	.			trans	-73.9	165.6	163.1	-64.2	-178.9	-179.7	-179	0	109.4	R176 D177	K174-R176 HydrophobicContact CB-CG 4.17Å; K174-R176 PolarHBondContact O-N 3.06Å; K174-D177 WeakPolarHBondContact CB-OD2 3.17Å; K174-D177 PolarHBondContact N-OD2 3.14Å; K174-D177 WeakPolarHBondContact O-CB 3.47Å; K174-D177 PolarHBondContact O-N 3.38Å
175	E	86.3	Confident	93	Very high	154 Å²	154	62 Å²	62	72%	0.72	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.6	-38.2	179.4	-173.2	160.9	-141.1	0	0	113.2	R152 D177 G178	R152-E175 IonicContact NH2-OE1 2.7Å; E175-D177 PolarHBondContact O-N 3.27Å; E175-G178 PolarHBondContact O-N 3.33Å
176	R	87.6	Confident	93.3	Very high	182 Å²	182	63.1 Å²	63.1	69%	0.687	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.6	175.2	74.4	-175.3	-177.8	-175.1	3.5	114.8	K174 G178	K174-R176 HydrophobicContact CB-CG 4.17Å; K174-R176 PolarHBondContact O-N 3.06Å; R176-G178 PolarHBondContact O-N 3.33Å
177	D	89.9	Confident	93.3	Very high	22 Å²	22	58.9 Å²	58.9	12%	0.118	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-80.3	-10.7	-177.9	-55.3	-24.2	0	0	0	110.5	K174 E175 N194 E195 T196	K174-D177 WeakPolarHBondContact CB-OD2 3.17Å; K174-D177 PolarHBondContact N-OD2 3.14Å; K174-D177 WeakPolarHBondContact O-CB 3.47Å; K174-D177 PolarHBondContact O-N 3.38Å; E175-D177 PolarHBondContact O-N 3.27Å; D177-N194 VanDerWaalsContact O-CB 3.28Å; D177-N194 WeakPolarHBondContact O-CB 3.21Å; D177-N194 VanDerWaalsContact O-CG 3.24Å; D177-N194 PolarHBondContact O-ND2 2.8Å; D177-E195 PolarHBondContact O-N 3.06Å; D177-T196 HydrophobicContact CB-CG2 4.4Å
178	G	90.6	Very high	93.3	Very high	6 Å²	6	54.7 Å²	54.7	6%	0.062	27%	0.27	C	S	.	.			trans	71	-147.5	175.3	0	0	0	0	0	112.7	E175 R176 E195	E175-G178 PolarHBondContact O-N 3.33Å; R176-G178 PolarHBondContact O-N 3.33Å; G178-E195 VanDerWaalsContact CA-OE1 3.25Å; G178-E195 WeakPolarHBondContact CA-OE1 3.48Å; G178-E195 WeakPolarHBondContact CA-OE2 3.31Å
179	H	92.8	Very high	93.4	Very high	45 Å²	45	52.1 Å²	52.1	21%	0.208	26%	0.258	C	S	.	.			trans	-110.5	147.5	179.8	-64.2	-77.5	0	0	0	113.9	R130 D151 H181 N194 E195	R130-H179 VanDerWaalsContact CZ-CD2 3.44Å; R130-H179 PolarHBondContact NE-CD2 2.86Å; R130-H179 PolarHBondContact NE-ND1 2.86Å; R130-H179 PolarHBondContact NH2-CD2 3.36Å; R130-H179 PolarHBondContact NH2-NE2 3.03Å; D151-H179 CarbonylContact O-C 3.48Å; H179-H181 PolarHBondContact O-N 3.44Å; H179-N194 WeakPolarHBondContact O-CA 3.4Å; H179-E195 PolarHBondContact N-OE1 3.43Å; H179-E195 VanDerWaalsContact N-OE1 3.15Å
180	I	95.8	Very high	93.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.234	C	C	.	.			trans	-77.6	101.3	173.5	-56.4	170	0	0	0	108.9	R130 S131 D151 L154 F171 I183 F192 A193 N194	R130-I180 WeakPolarHBondContact CB-O 3.37Å; S131-I180 PolarHBondContact OG-O 3.06Å; D151-I180 WeakPolarHBondContact O-CB 3.32Å; D151-I180 VanDerWaalsContact O-CG1 3.29Å; D151-I180 WeakPolarHBondContact O-CG1 3.22Å; D151-I180 PolarHBondContact O-N 2.81Å; L154-I180 HydrophobicContact CB-CD1 3.95Å; L154-I180 HydrophobicContact CD1-CD1 4.13Å; F171-I180 HydrophobicContact CD1-CD1 4.22Å; I180-I183 HydrophobicContact CG2-CD1 4.27Å; I180-I183 HydrophobicContact CG2-CG1 3.83Å; I180-F192 HydrophobicContact CD1-CD2 3.88Å; I180-F192 HydrophobicContact CD1-CE2 4.1Å; I180-F192 HydrophobicContact CG1-CD2 4.05Å; I180-F192 HydrophobicContact CG1-CE2 4.5Å; I180-F192 HydrophobicContact CG2-CB 3.92Å; I180-F192 HydrophobicContact CG2-CD2 4.04Å; I180-F192 HydrophobicContact CG2-CG 4.43Å; I180-A193 CarbonylContact C-O 3.58Å; I180-A193 VanDerWaalsContact CA-O 3.22Å; I180-A193 WeakPolarHBondContact CA-O 3.44Å; I180-N194 HydrophobicContact CG1-CB 4.43Å
181	H	93.5	Very high	93.6	Very high	47 Å²	47	46.4 Å²	46.4	22%	0.218	23%	0.229	C	C	.	.			trans	-95.7	-17.4	-174.2	64.4	72.2	0	0	0	113.2	H179 A193 A227	H179-H181 PolarHBondContact O-N 3.44Å; H181-A193 PolarHBondContact CD2-O 3.14Å; H181-A193 WeakPolarHBondContact CE1-CB 3.26Å; H181-A193 PolarHBondContact N-O 3.34Å; H181-A193 WeakPolarHBondContact NE2-CB 3.44Å; H181-A227 PolarHBondContact CE1-N 2.87Å
182	S	95.4	Very high	93.7	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142	177.6	-174.5	0	0	0	0	110.8	F192 A193	S182-F192 CarbonylContact O-C 3.57Å; S182-F192 VanDerWaalsContact O-CA 3.24Å; S182-F192 WeakPolarHBondContact O-CA 3.4Å; S182-A193 PolarHBondContact O-N 3.19Å
183	I	98.2	Very high	93.8	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.7	174.1	-59.2	166.2	0	0	0	107.6	H90 S131 A133 V148 L154 I180 I190 A191 F192	H90-I183 PolarHBondContact CE1-O 3.17Å; S131-I183 VanDerWaalsContact OG-CD1 3.25Å; S131-I183 WeakPolarHBondContact OG-CD1 3.39Å; S131-I183 WeakPolarHBondContact OG-CG1 3.45Å; A133-I183 HydrophobicContact CB-CB 4.06Å; A133-I183 HydrophobicContact CB-CG2 3.53Å; V148-I183 HydrophobicContact CG1-CD1 4.15Å; L154-I183 HydrophobicContact CD1-CD1 3.67Å; L154-I183 HydrophobicContact CD1-CG1 4.11Å; I180-I183 HydrophobicContact CG2-CD1 4.27Å; I180-I183 HydrophobicContact CG2-CG1 3.83Å; I183-I190 HydrophobicContact CG2-CG2 3.77Å; I183-A191 CarbonylContact C-O 3.56Å; I183-A191 WeakPolarHBondContact CA-O 3.31Å; I183-F192 HydrophobicContact CB-CB 4.49Å; I183-F192 HydrophobicContact CG1-CB 3.93Å
184	S	97.1	Very high	94	Very high	28 Å²	28	38.7 Å²	38.7	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.8	175.7	-170.9	0	0	0	0	109.5	A191 W231	S184-A191 PolarHBondContact N-O 3.21Å; S184-A191 PolarHBondContact O-N 3.17Å; S184-W231 PolarHBondContact OG-NE1 3.16Å
185	W	97.4	Very high	94.1	Very high	19 Å²	19	34.7 Å²	34.7	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121	-175.1	-165.7	-25	0	0	0	110.4	A133 H135 P136 Q146 V148 L156 G187 I190 K203	A133-W185 HydrophobicContact CB-CB 4.16Å; A133-W185 HydrophobicContact CB-CE3 4.42Å; H135-W185 HydrophobicContact CB-CH2 4.2Å; H135-W185 HydrophobicContact CB-CZ2 4.37Å; H135-W185 HydrophobicContact CB-CZ3 4.32Å; H135-W185 AromaticContact CD2-CE2 3.79Å; H135-W185 AromaticContact CD2-CZ2 3.45Å; H135-W185 VanDerWaalsContact CD2-CZ2 3.45Å; H135-W185 WeakPolarHBondContact CD2-CZ2 3.36Å; P136-W185 HydrophobicContact CG-CG 4.31Å; P136-W185 WeakPolarHBondContact CG-O 3.47Å; Q146-W185 HydrophobicContact CB-CH2 3.82Å; Q146-W185 HydrophobicContact CB-CZ3 4.49Å; V148-W185 HydrophobicContact CB-CE3 4.45Å; V148-W185 HydrophobicContact CB-CZ3 4.22Å; V148-W185 HydrophobicContact CG2-CE3 3.94Å; V148-W185 HydrophobicContact CG2-CH2 3.93Å; V148-W185 HydrophobicContact CG2-CZ3 3.43Å; V148-W185 VanDerWaalsContact CG2-CZ3 3.43Å; L156-W185 HydrophobicContact CD1-CH2 3.62Å; L156-W185 HydrophobicContact CD1-CZ3 4.24Å; W185-G187 PolarHBondContact NE1-O 3.48Å; W185-I190 HydrophobicContact CD2-CD1 4.38Å; W185-I190 HydrophobicContact CD2-CG1 3.92Å; W185-I190 HydrophobicContact CG-CG1 3.99Å; W185-I190 HydrophobicContact CH2-CD1 4.5Å; W185-I190 HydrophobicContact CZ2-CD1 4.18Å; W185-I190 HydrophobicContact CZ2-CG1 4.45Å; W185-K203 HydrophobicContact CZ2-CD 4.22Å
186	R	94.9	Very high	94.4	Very high	87 Å²	87	29 Å²	29	33%	0.328	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	115.3	173.7	-172.1	73.5	-171.5	-179.1	2	111.3	C188 L189 W231 D234	R186-C188 PolarHBondContact O-N 2.88Å; R186-L189 PolarHBondContact N-O 3.34Å; R186-L189 WeakPolarHBondContact O-CA 3.36Å; R186-L189 WeakPolarHBondContact O-CB 3.23Å; R186-L189 PolarHBondContact O-N 3.32Å; R186-L189 VanDerWaalsContact O-O 3.11Å; R186-W231 HydrophobicContact CB-CD2 3.42Å; R186-W231 VanDerWaalsContact CB-CD2 3.42Å; R186-W231 HydrophobicContact CB-CE3 3.77Å; R186-W231 HydrophobicContact CB-CG 3.75Å; R186-W231 HydrophobicContact CB-CH2 4.32Å; R186-W231 HydrophobicContact CB-CZ2 3.97Å; R186-W231 HydrophobicContact CB-CZ3 4.22Å; R186-W231 HydrophobicContact CG-CB 4.27Å; R186-W231 HydrophobicContact CG-CD2 3.85Å; R186-W231 HydrophobicContact CG-CE3 3.9Å; R186-W231 HydrophobicContact CG-CG 4Å; R186-D234 IonicContact CZ-OD1 3.48Å; R186-D234 IonicContact NE-OD1 2.65Å; R186-D234 PolarHBondContact NE-OD1 3.36Å; R186-D234 IonicContact NH2-OD1 3.13Å; R186-D234 PolarHBondContact NH2-OD1 3.17Å
187	G	91.8	Very high	94.7	Very high	38 Å²	38	20.4 Å²	20.4	39%	0.392	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-119.4	-178.5	0	0	0	0	0	112.3	W185	W185-G187 PolarHBondContact NE1-O 3.48Å
188	C	92.5	Very high	95	Very high	24 Å²	24	19.3 Å²	19.3	16%	0.162	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.3	174	54.9	0	0	0	0	114.2	R186 K203 R265	R186-C188 PolarHBondContact O-N 2.88Å; C188-K203 HydrophobicContact CB-CB 4.39Å; C188-K203 VanDerWaalsContact O-CB 3.28Å; C188-K203 WeakPolarHBondContact O-CB 3.41Å; C188-K203 PolarHBondContact O-N 2.88Å; C188-R265 PolarHBondContact SG-NH2 3.14Å
189	L	96.3	Very high	95.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.2	179.3	-60.1	176.9	0	0	0	110.7	R186 V200 Y201 D202 L209 W231 D234 V250	R186-L189 PolarHBondContact N-O 3.34Å; R186-L189 WeakPolarHBondContact O-CA 3.36Å; R186-L189 WeakPolarHBondContact O-CB 3.23Å; R186-L189 PolarHBondContact O-N 3.32Å; R186-L189 VanDerWaalsContact O-O 3.11Å; L189-V200 HydrophobicContact CB-CG1 4.44Å; L189-V200 HydrophobicContact CD2-CG1 4.29Å; L189-Y201 WeakPolarHBondContact CA-O 3.5Å; L189-D202 HydrophobicContact CD2-CB 4.11Å; L189-L209 HydrophobicContact CD2-CD1 3.8Å; L189-W231 HydrophobicContact CB-CH2 3.72Å; L189-W231 HydrophobicContact CB-CZ2 4.36Å; L189-W231 HydrophobicContact CB-CZ3 4.39Å; L189-W231 HydrophobicContact CD1-CH2 3.93Å; L189-W231 HydrophobicContact CD1-CZ3 3.89Å; L189-D234 WeakPolarHBondContact CD1-O 3.22Å; L189-V250 HydrophobicContact CD1-CB 4.19Å; L189-V250 HydrophobicContact CD1-CG1 4.15Å; L189-V250 HydrophobicContact CD1-CG2 3.9Å
190	I	97.9	Very high	95.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	107.5	174.1	-61.2	159.2	0	0	0	106.7	V148 L154 L170 I183 W185 F192 Y201	V148-I190 HydrophobicContact CG2-CD1 3.86Å; L154-I190 HydrophobicContact CD2-CG2 4.22Å; L170-I190 HydrophobicContact CD1-CD1 3.93Å; I183-I190 HydrophobicContact CG2-CG2 3.77Å; W185-I190 HydrophobicContact CD2-CD1 4.38Å; W185-I190 HydrophobicContact CD2-CG1 3.92Å; W185-I190 HydrophobicContact CG-CG1 3.99Å; W185-I190 HydrophobicContact CH2-CD1 4.5Å; W185-I190 HydrophobicContact CZ2-CD1 4.18Å; W185-I190 HydrophobicContact CZ2-CG1 4.45Å; I190-F192 HydrophobicContact CG2-CD1 4.5Å; I190-Y201 HydrophobicContact CD1-CD1 4.42Å; I190-Y201 PolarHBondContact N-O 3.35Å; I190-Y201 PolarHBondContact O-N 2.91Å
191	A	98.2	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.4	171.1	0	0	0	0	0	109.2	I183 S184 L199 V200 I229 W231	I183-A191 CarbonylContact C-O 3.56Å; I183-A191 WeakPolarHBondContact CA-O 3.31Å; S184-A191 PolarHBondContact N-O 3.21Å; S184-A191 PolarHBondContact O-N 3.17Å; A191-L199 CarbonylContact C-O 3.55Å; A191-L199 VanDerWaalsContact CA-O 3.25Å; A191-L199 WeakPolarHBondContact CA-O 3.39Å; A191-V200 HydrophobicContact CB-CG2 4.16Å; A191-I229 HydrophobicContact CB-CD1 4.02Å; A191-I229 HydrophobicContact CB-CG2 3.96Å; A191-W231 HydrophobicContact CB-CH2 4.3Å; A191-W231 HydrophobicContact CB-CZ2 3.56Å
192	F	98.1	Very high	95.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148	-178.5	63.3	-82.7	0	0	0	110.8	L154 F171 I180 S182 I183 I190 V198 L199 L208	L154-F192 HydrophobicContact CD1-CB 4.38Å; L154-F192 HydrophobicContact CD1-CG 4.26Å; L154-F192 HydrophobicContact CD2-CD1 3.63Å; L154-F192 HydrophobicContact CD2-CE1 3.63Å; L154-F192 HydrophobicContact CD2-CG 4.13Å; L154-F192 HydrophobicContact CD2-CZ 4.1Å; F171-F192 HydrophobicContact CB-CE2 4.4Å; F171-F192 HydrophobicContact CB-CZ 3.95Å; F171-F192 AromaticContact CD1-CE2 3.73Å; F171-F192 HydrophobicContact CD1-CE2 3.73Å; F171-F192 HydrophobicContact CD1-CZ 4.05Å; F171-F192 HydrophobicContact CD2-CZ 4.23Å; F171-F192 HydrophobicContact CE1-CE2 4.1Å; F171-F192 AromaticContact CG-CE2 3.99Å; F171-F192 HydrophobicContact CG-CE2 3.99Å; F171-F192 AromaticContact CG-CZ 3.81Å; F171-F192 HydrophobicContact CG-CZ 3.81Å; I180-F192 HydrophobicContact CD1-CD2 3.88Å; I180-F192 HydrophobicContact CD1-CE2 4.1Å; I180-F192 HydrophobicContact CG1-CD2 4.05Å; I180-F192 HydrophobicContact CG1-CE2 4.5Å; I180-F192 HydrophobicContact CG2-CB 3.92Å; I180-F192 HydrophobicContact CG2-CD2 4.04Å; I180-F192 HydrophobicContact CG2-CG 4.43Å; S182-F192 CarbonylContact O-C 3.57Å; S182-F192 VanDerWaalsContact O-CA 3.24Å; S182-F192 WeakPolarHBondContact O-CA 3.4Å; I183-F192 HydrophobicContact CB-CB 4.49Å; I183-F192 HydrophobicContact CG1-CB 3.93Å; I190-F192 HydrophobicContact CG2-CD1 4.5Å; F192-V198 CarbonylContact O-C 3.3Å; F192-V198 WeakPolarHBondContact O-CA 2.98Å; F192-L199 HydrophobicContact CD1-CB 4.17Å; F192-L199 HydrophobicContact CD2-CB 4.21Å; F192-L199 HydrophobicContact CD2-CD1 4.24Å; F192-L199 HydrophobicContact CE1-CB 3.65Å; F192-L199 HydrophobicContact CE2-CB 3.71Å; F192-L199 HydrophobicContact CE2-CD1 3.77Å; F192-L199 HydrophobicContact CE2-CD2 4.46Å; F192-L199 HydrophobicContact CE2-CG 4.17Å; F192-L199 HydrophobicContact CG-CB 4.43Å; F192-L199 HydrophobicContact CZ-CB 3.41Å; F192-L199 VanDerWaalsContact CZ-CB 3.41Å; F192-L199 HydrophobicContact CZ-CD1 4.28Å; F192-L199 HydrophobicContact CZ-CD2 4.25Å; F192-L199 HydrophobicContact CZ-CG 4.17Å; F192-L199 PolarHBondContact N-O 2.88Å; F192-L199 PolarHBondContact O-N 2.96Å; F192-L208 HydrophobicContact CE1-CD1 4.18Å; F192-L208 HydrophobicContact CZ-CD1 4.1Å
193	A	96.4	Very high	95.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.1	-172.8	0	0	0	0	0	111.7	I180 H181 S182 G197 V198 A227 I229	I180-A193 CarbonylContact C-O 3.58Å; I180-A193 VanDerWaalsContact CA-O 3.22Å; I180-A193 WeakPolarHBondContact CA-O 3.44Å; H181-A193 PolarHBondContact CD2-O 3.14Å; H181-A193 WeakPolarHBondContact CE1-CB 3.26Å; H181-A193 PolarHBondContact N-O 3.34Å; H181-A193 WeakPolarHBondContact NE2-CB 3.44Å; S182-A193 PolarHBondContact O-N 3.19Å; A193-G197 WeakPolarHBondContact CA-O 3.25Å; A193-V198 HydrophobicContact CB-CG2 3.94Å; A193-A227 HydrophobicContact CB-CB 3.7Å; A193-I229 HydrophobicContact CB-CD1 4.31Å
194	N	94.1	Very high	95.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.011	12%	0.119	C	C	.	.			trans	-127.5	-172.2	172.5	72.8	10.2	0	0	0	110.4	D177 H179 I180 T196 G197 W241	D177-N194 VanDerWaalsContact O-CB 3.28Å; D177-N194 WeakPolarHBondContact O-CB 3.21Å; D177-N194 VanDerWaalsContact O-CG 3.24Å; D177-N194 PolarHBondContact O-ND2 2.8Å; H179-N194 WeakPolarHBondContact O-CA 3.4Å; I180-N194 HydrophobicContact CG1-CB 4.43Å; N194-T196 PolarHBondContact ND2-OG1 3.09Å; N194-T196 PolarHBondContact O-N 2.83Å; N194-T196 WeakPolarHBondContact OD1-CA 3.43Å; N194-T196 PolarHBondContact OD1-N 3.27Å; N194-T196 PolarHBondContact OD1-OG1 2.84Å; N194-G197 PolarHBondContact N-O 3Å; N194-G197 PolarHBondContact O-N 3.09Å; N194-G197 PolarHBondContact OD1-N 2.81Å; N194-G197 PolarHBondContact OD1-O 3.41Å; N194-G197 VanDerWaalsContact OD1-O 3.12Å; N194-W241 VanDerWaalsContact O-CH2 3.27Å; N194-W241 WeakPolarHBondContact O-CH2 3.49Å; N194-W241 WeakPolarHBondContact O-CZ2 3.47Å
195	E	91.7	Very high	94.7	Very high	47 Å²	47	22.8 Å²	22.8	22%	0.22	13%	0.128	C	C	.	.	S	Bend	trans	-70.4	-15.6	-175.9	-71.2	159.9	-139.3	0	0	113.7	D177 G178 H179	D177-E195 PolarHBondContact O-N 3.06Å; G178-E195 VanDerWaalsContact CA-OE1 3.25Å; G178-E195 WeakPolarHBondContact CA-OE1 3.48Å; G178-E195 WeakPolarHBondContact CA-OE2 3.31Å; H179-E195 PolarHBondContact N-OE1 3.43Å; H179-E195 VanDerWaalsContact N-OE1 3.15Å
196	T	92	Very high	94.4	Very high	35 Å²	35	28.9 Å²	28.9	22%	0.215	16%	0.155	C	C	.	.	S	Bend	trans	-97.5	-25.3	179.1	55.5	0	0	0	0	114.3	D177 N194 H211 R214	D177-T196 HydrophobicContact CB-CG2 4.4Å; N194-T196 PolarHBondContact ND2-OG1 3.09Å; N194-T196 PolarHBondContact O-N 2.83Å; N194-T196 WeakPolarHBondContact OD1-CA 3.43Å; N194-T196 PolarHBondContact OD1-N 3.27Å; N194-T196 PolarHBondContact OD1-OG1 2.84Å; T196-H211 PolarHBondContact O-NE2 2.83Å; T196-H211 PolarHBondContact OG1-NE2 3.46Å; T196-R214 WeakPolarHBondContact O-CB 3.16Å; T196-R214 PolarHBondContact O-N 2.89Å
197	G	93.9	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	174.8	-170	0	0	0	0	0	115.6	A193 N194 H211 V212 W241	A193-G197 WeakPolarHBondContact CA-O 3.25Å; N194-G197 PolarHBondContact N-O 3Å; N194-G197 PolarHBondContact O-N 3.09Å; N194-G197 PolarHBondContact OD1-N 2.81Å; N194-G197 PolarHBondContact OD1-O 3.41Å; N194-G197 VanDerWaalsContact OD1-O 3.12Å; G197-H211 WeakPolarHBondContact CA-NE2 3.49Å; G197-V212 CarbonylContact C-O 3.57Å; G197-V212 WeakPolarHBondContact CA-O 3.12Å; G197-W241 VanDerWaalsContact CA-CZ3 3.49Å
198	V	96.7	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.2	165.5	-178.4	0	0	0	0	109	F192 A193 V212 A227 I229 I239	F192-V198 CarbonylContact O-C 3.3Å; F192-V198 WeakPolarHBondContact O-CA 2.98Å; A193-V198 HydrophobicContact CB-CG2 3.94Å; V198-V212 HydrophobicContact CB-CB 4.5Å; V198-V212 PolarHBondContact N-O 3.14Å; V198-V212 PolarHBondContact O-N 2.91Å; V198-A227 HydrophobicContact CG2-CB 4Å; V198-I229 HydrophobicContact CG1-CD1 3.72Å; V198-I229 HydrophobicContact CG1-CG1 4.07Å; V198-I239 HydrophobicContact CB-CD1 3.66Å; V198-I239 HydrophobicContact CB-CG1 4.18Å; V198-I239 HydrophobicContact CG1-CD1 3.86Å; V198-I239 HydrophobicContact CG1-CG1 4.09Å; V198-I239 HydrophobicContact CG2-CD1 3.98Å; V198-I239 HydrophobicContact CG2-CG1 4.09Å; V198-I239 HydrophobicContact CG2-CG2 3.63Å
199	L	97.5	Very high	94.2	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	147.5	-178.6	-64.2	106	0	0	0	110.1	F171 A191 F192 L208 T210 H211	F171-L199 HydrophobicContact CE2-CD2 4.09Å; F171-L199 HydrophobicContact CZ-CD2 4.38Å; A191-L199 CarbonylContact C-O 3.55Å; A191-L199 VanDerWaalsContact CA-O 3.25Å; A191-L199 WeakPolarHBondContact CA-O 3.39Å; F192-L199 HydrophobicContact CD1-CB 4.17Å; F192-L199 HydrophobicContact CD2-CB 4.21Å; F192-L199 HydrophobicContact CD2-CD1 4.24Å; F192-L199 HydrophobicContact CE1-CB 3.65Å; F192-L199 HydrophobicContact CE2-CB 3.71Å; F192-L199 HydrophobicContact CE2-CD1 3.77Å; F192-L199 HydrophobicContact CE2-CD2 4.46Å; F192-L199 HydrophobicContact CE2-CG 4.17Å; F192-L199 HydrophobicContact CG-CB 4.43Å; F192-L199 HydrophobicContact CZ-CB 3.41Å; F192-L199 VanDerWaalsContact CZ-CB 3.41Å; F192-L199 HydrophobicContact CZ-CD1 4.28Å; F192-L199 HydrophobicContact CZ-CD2 4.25Å; F192-L199 HydrophobicContact CZ-CG 4.17Å; F192-L199 PolarHBondContact N-O 2.88Å; F192-L199 PolarHBondContact O-N 2.96Å; L199-L208 HydrophobicContact CB-CD1 4.04Å; L199-L208 HydrophobicContact CD2-CD1 4.02Å; L199-L208 HydrophobicContact CD2-CD2 3.81Å; L199-L208 HydrophobicContact CD2-CG 4.4Å; L199-T210 WeakPolarHBondContact CA-O 3.21Å; L199-H211 HydrophobicContact CD2-CB 4.14Å; L199-H211 HydrophobicContact CG-CB 4.35Å
200	V	97.3	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.1	176.8	-175.1	0	0	0	0	109.3	L189 A191 L209 T210 F237 V267	L189-V200 HydrophobicContact CB-CG1 4.44Å; L189-V200 HydrophobicContact CD2-CG1 4.29Å; A191-V200 HydrophobicContact CB-CG2 4.16Å; V200-L209 HydrophobicContact CG1-CD1 4.26Å; V200-L209 PolarHBondContact O-N 3.19Å; V200-T210 HydrophobicContact CB-CG2 4.07Å; V200-T210 HydrophobicContact CG2-CG2 3.88Å; V200-T210 PolarHBondContact N-O 2.84Å; V200-F237 HydrophobicContact CG2-CE1 4.14Å; V200-F237 HydrophobicContact CG2-CE2 4.23Å; V200-F237 HydrophobicContact CG2-CZ 3.58Å; V200-V267 HydrophobicContact CB-CG2 4.41Å; V200-V267 HydrophobicContact CG2-CG2 4.49Å
201	Y	96.4	Very high	93.9	Very high	13 Å²	13	32.5 Å²	32.5	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.3	176.1	-177.8	-91.7	0	0	0	110.7	L170 L189 I190 K206	L170-Y201 HydrophobicContact CB-CD2 4.49Å; L170-Y201 HydrophobicContact CB-CE1 4.38Å; L170-Y201 HydrophobicContact CB-CE2 4.27Å; L170-Y201 HydrophobicContact CD1-CD1 3.92Å; L170-Y201 HydrophobicContact CD1-CE1 3.82Å; L170-Y201 HydrophobicContact CD2-CE1 3.85Å; L170-Y201 HydrophobicContact CG-CE1 4.24Å; L189-Y201 WeakPolarHBondContact CA-O 3.5Å; I190-Y201 HydrophobicContact CD1-CD1 4.42Å; I190-Y201 PolarHBondContact N-O 3.35Å; I190-Y201 PolarHBondContact O-N 2.91Å; Y201-K206 VanDerWaalsContact OH-CA 3.23Å; Y201-K206 WeakPolarHBondContact OH-CA 3.36Å
202	D	94.4	Very high	93.8	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.9	174.7	-177.6	-15.5	0	0	0	110.1	L189 N204 A205 K206 A207 L209 R265	L189-D202 HydrophobicContact CD2-CB 4.11Å; D202-N204 VanDerWaalsContact C-N 3.29Å; D202-N204 PolarHBondContact O-N 3.35Å; D202-N204 WeakPolarHBondContact OD1-CB 3.25Å; D202-N204 PolarHBondContact OD1-N 3.03Å; D202-A205 HydrophobicContact CB-CB 3.94Å; D202-A205 PolarHBondContact OD1-N 3.38Å; D202-A205 VanDerWaalsContact OD1-N 3.12Å; D202-A205 WeakPolarHBondContact OD2-CB 3.2Å; D202-K206 VanDerWaalsContact O-CA 3.28Å; D202-K206 WeakPolarHBondContact O-CA 3.49Å; D202-K206 PolarHBondContact O-N 3.41Å; D202-A207 PolarHBondContact N-O 2.93Å; D202-A207 PolarHBondContact O-N 2.91Å; D202-L209 HydrophobicContact CB-CD1 3.97Å; D202-L209 HydrophobicContact CB-CD2 3.67Å; D202-L209 HydrophobicContact CB-CG 3.81Å; D202-R265 IonicContact OD1-NH2 3.82Å; D202-R265 PolarHBondContact OD1-NH2 3.18Å; D202-R265 IonicContact OD2-CZ 3.96Å; D202-R265 IonicContact OD2-NE 3.85Å; D202-R265 PolarHBondContact OD2-NE 2.91Å; D202-R265 IonicContact OD2-NH2 3.55Å; D202-R265 PolarHBondContact OD2-NH2 3.19Å
203	K	92.2	Very high	93.6	Very high	39 Å²	39	36.7 Å²	36.7	17%	0.17	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.9	179.7	-169.9	179.2	68.9	175.6	0	112.7	L156 W185 C188 K206	L156-K203 HydrophobicContact CD2-CD 4.43Å; W185-K203 HydrophobicContact CZ2-CD 4.22Å; C188-K203 HydrophobicContact CB-CB 4.39Å; C188-K203 VanDerWaalsContact O-CB 3.28Å; C188-K203 WeakPolarHBondContact O-CB 3.41Å; C188-K203 PolarHBondContact O-N 2.88Å; K203-K206 WeakPolarHBondContact O-CG 3.33Å
204	N	90	Very high	93.2	Very high	117 Å²	117	38.7 Å²	38.7	63%	0.626	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-46.5	-177.2	-67.4	-6	0	0	0	110.4	D202 K206	D202-N204 VanDerWaalsContact C-N 3.29Å; D202-N204 PolarHBondContact O-N 3.35Å; D202-N204 WeakPolarHBondContact OD1-CB 3.25Å; D202-N204 PolarHBondContact OD1-N 3.03Å; N204-K206 PolarHBondContact O-N 3Å
205	A	89.2	Confident	92.8	Very high	47 Å²	47	44.7 Å²	44.7	39%	0.388	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.3	175.9	0	0	0	0	0	113	D202 A207	D202-A205 HydrophobicContact CB-CB 3.94Å; D202-A205 PolarHBondContact OD1-N 3.38Å; D202-A205 VanDerWaalsContact OD1-N 3.12Å; D202-A205 WeakPolarHBondContact OD2-CB 3.2Å; A205-A207 HydrophobicContact CB-CB 4.27Å; A205-A207 PolarHBondContact O-N 2.99Å
206	K	90.4	Very high	92.5	Very high	146 Å²	146	42.7 Å²	42.7	64%	0.635	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	39.7	-172.5	-60.8	-179.2	-179.9	176.6	0	112.7	Y201 D202 K203 N204	Y201-K206 VanDerWaalsContact OH-CA 3.23Å; Y201-K206 WeakPolarHBondContact OH-CA 3.36Å; D202-K206 VanDerWaalsContact O-CA 3.28Å; D202-K206 WeakPolarHBondContact O-CA 3.49Å; D202-K206 PolarHBondContact O-N 3.41Å; K203-K206 WeakPolarHBondContact O-CG 3.33Å; N204-K206 PolarHBondContact O-N 3Å
207	A	91.4	Very high	92.1	Very high	31 Å²	31	44.4 Å²	44.4	26%	0.256	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.7	-171.7	0	0	0	0	0	111.3	D202 A205	D202-A207 PolarHBondContact N-O 2.93Å; D202-A207 PolarHBondContact O-N 2.91Å; A205-A207 HydrophobicContact CB-CB 4.27Å; A205-A207 PolarHBondContact O-N 2.99Å
208	L	92.8	Very high	91.5	Very high	71 Å²	71	50.4 Å²	50.4	37%	0.372	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.3	168.9	-167.6	71.7	0	0	0	108.7	F192 L199	F192-L208 HydrophobicContact CE1-CD1 4.18Å; F192-L208 HydrophobicContact CZ-CD1 4.1Å; L199-L208 HydrophobicContact CB-CD1 4.04Å; L199-L208 HydrophobicContact CD2-CD1 4.02Å; L199-L208 HydrophobicContact CD2-CD2 3.81Å; L199-L208 HydrophobicContact CD2-CG 4.4Å
209	L	91.8	Very high	90.7	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-37.4	-176.1	-57.6	-171	0	0	0	112.8	L189 V200 D202 V250 P263 R265 V267	L189-L209 HydrophobicContact CD2-CD1 3.8Å; V200-L209 HydrophobicContact CG1-CD1 4.26Å; V200-L209 PolarHBondContact O-N 3.19Å; D202-L209 HydrophobicContact CB-CD1 3.97Å; D202-L209 HydrophobicContact CB-CD2 3.67Å; D202-L209 HydrophobicContact CB-CG 3.81Å; L209-V250 HydrophobicContact CD1-CG1 3.94Å; L209-P263 HydrophobicContact CD2-CB 3.74Å; L209-P263 HydrophobicContact CD2-CG 4.43Å; L209-R265 HydrophobicContact CD1-CB 4.04Å; L209-R265 HydrophobicContact CD2-CB 4.35Å; L209-V267 HydrophobicContact CB-CG2 4Å; L209-V267 HydrophobicContact CD1-CG2 4.47Å
210	T	93.8	Very high	90.1	Very high	36 Å²	36	55 Å²	55	22%	0.221	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.1	-175.7	-162.5	0	0	0	0	112.6	L199 V200 V212 V267	L199-T210 WeakPolarHBondContact CA-O 3.21Å; V200-T210 HydrophobicContact CB-CG2 4.07Å; V200-T210 HydrophobicContact CG2-CG2 3.88Å; V200-T210 PolarHBondContact N-O 2.84Å; T210-V212 HydrophobicContact CG2-CG2 4.11Å; T210-V267 HydrophobicContact CG2-CB 3.61Å; T210-V267 HydrophobicContact CG2-CG1 3.99Å; T210-V267 HydrophobicContact CG2-CG2 3.44Å; T210-V267 VanDerWaalsContact CG2-CG2 3.44Å
211	H	94.3	Very high	89.4	Confident	75 Å²	75	60.2 Å²	60.2	35%	0.347	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	99.3	166.1	178	-154.3	0	0	0	108.2	T196 G197 L199 T213	T196-H211 PolarHBondContact O-NE2 2.83Å; T196-H211 PolarHBondContact OG1-NE2 3.46Å; G197-H211 WeakPolarHBondContact CA-NE2 3.49Å; L199-H211 HydrophobicContact CD2-CB 4.14Å; L199-H211 HydrophobicContact CG-CB 4.35Å; H211-T213 PolarHBondContact O-N 3.37Å; H211-T213 VanDerWaalsContact O-N 3.16Å
212	V	95.1	Very high	88.6	Confident	12 Å²	12	59.9 Å²	59.9	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	99.2	172.9	-175.3	0	0	0	0	107.4	G197 V198 T210 I239 T246	G197-V212 CarbonylContact C-O 3.57Å; G197-V212 WeakPolarHBondContact CA-O 3.12Å; V198-V212 HydrophobicContact CB-CB 4.5Å; V198-V212 PolarHBondContact N-O 3.14Å; V198-V212 PolarHBondContact O-N 2.91Å; T210-V212 HydrophobicContact CG2-CG2 4.11Å; V212-I239 HydrophobicContact CB-CD1 3.9Å; V212-I239 HydrophobicContact CG1-CD1 3.88Å; V212-I239 HydrophobicContact CG2-CD1 3.93Å; V212-T246 HydrophobicContact CG1-CG2 4.23Å
213	T	93.4	Very high	87.9	Confident	76 Å²	76	64.9 Å²	64.9	47%	0.466	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.9	-174.1	57.6	0	0	0	0	112.1	H211	H211-T213 PolarHBondContact O-N 3.37Å; H211-T213 VanDerWaalsContact O-N 3.16Å
214	R	88.1	Confident	87.6	Confident	42 Å²	42	64.7 Å²	64.7	16%	0.158	33%	0.327	C	S	.	.			trans	-49.7	136.8	167.5	-175.4	176.2	172.3	-174.5	3.6	111.7	T196 H216 D217 L218 W220 C222 W241	T196-R214 WeakPolarHBondContact O-CB 3.16Å; T196-R214 PolarHBondContact O-N 2.89Å; R214-H216 PolarHBondContact NE-CD2 3.3Å; R214-H216 VanDerWaalsContact NE-CD2 3.33Å; R214-H216 PolarHBondContact NE-NE2 3.18Å; R214-D217 PolarHBondContact NH2-O 3.29Å; R214-L218 HydrophobicContact CB-CD2 4.49Å; R214-L218 HydrophobicContact CG-CD2 3.95Å; R214-L218 PolarHBondContact NH1-O 3.18Å; R214-L218 VanDerWaalsContact NH2-C 3.34Å; R214-L218 VanDerWaalsContact NH2-CA 3.34Å; R214-L218 PolarHBondContact NH2-O 3.4Å; R214-W220 PolarHBondContact NH2-O 3.27Å; R214-C222 PolarHBondContact NE-SG 3.34Å; R214-C222 PolarHBondContact NH1-SG 3.08Å; R214-C222 PolarHBondContact NH2-SG 3.47Å; R214-W241 HydrophobicContact CB-CE3 4.48Å; R214-W241 HydrophobicContact CB-CH2 3.82Å; R214-W241 HydrophobicContact CB-CZ3 3.63Å; R214-W241 HydrophobicContact CG-CH2 4.12Å; R214-W241 HydrophobicContact CG-CZ3 4.12Å
215	R	86.3	Confident	87.6	Confident	128 Å²	128	59.3 Å²	59.3	48%	0.483	30%	0.298	S	S	.	.			trans	-126.5	-25.6	180	-67.7	-170.7	179	-139.5	3.9	115.2	T244 M272	R215-T244 HydrophobicContact CB-CG2 4.15Å; R215-M272 VanDerWaalsContact NE-CE 3.35Å; R215-M272 PolarHBondContact NH1-SD 3.42Å
216	H	85.8	Confident	87.6	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.023	29%	0.289	C	S	.	.	S	Bend	trans	-67.4	167.6	173.5	57.5	-99	0	0	0	111	R214 L218 W220 C222 W241 A242 N243 T244	R214-H216 PolarHBondContact NE-CD2 3.3Å; R214-H216 VanDerWaalsContact NE-CD2 3.33Å; R214-H216 PolarHBondContact NE-NE2 3.18Å; H216-L218 PolarHBondContact O-N 2.72Å; H216-W220 HydrophobicContact CB-CE3 4.27Å; H216-W220 HydrophobicContact CB-CZ3 3.99Å; H216-W220 AromaticContact CD2-CE3 3.91Å; H216-C222 PolarHBondContact NE2-SG 3.02Å; H216-W241 AromaticContact CE1-CD1 3.74Å; H216-W241 AromaticContact CE1-CD2 3.51Å; H216-W241 AromaticContact CE1-CE2 3.57Å; H216-W241 AromaticContact CE1-CG 3.65Å; H216-W241 AromaticContact CE1-NE1 3.67Å; H216-W241 PolarHBondContact ND1-O 3.1Å; H216-A242 HydrophobicContact CB-CB 4.06Å; H216-N243 WeakPolarHBondContact CB-OD1 3.41Å; H216-T244 HydrophobicContact CB-CG2 4.01Å
217	D	83.4	Confident	87.8	Confident	70 Å²	70	51.5 Å²	51.5	37%	0.374	26%	0.259	S	S	.	.			trans	-47.7	121.7	-176.5	-173.8	-22.4	0	0	0	111.6	R214 T219 W220	R214-D217 PolarHBondContact NH2-O 3.29Å; D217-T219 PolarHBondContact O-N 3.23Å; D217-T219 VanDerWaalsContact OD1-CB 3.32Å; D217-T219 WeakPolarHBondContact OD1-CB 3.38Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.4Å; D217-T219 PolarHBondContact OD1-N 3.48Å; D217-T219 PolarHBondContact OD1-OG1 2.7Å; D217-T219 PolarHBondContact OD2-OG1 2.85Å; D217-W220 HydrophobicContact CB-CD2 3.87Å; D217-W220 HydrophobicContact CB-CE3 4.5Å; D217-W220 HydrophobicContact CB-CG 4.11Å; D217-W220 HydrophobicContact CB-CZ2 3.94Å; D217-W220 PolarHBondContact O-N 3.43Å; D217-W220 PolarHBondContact OD2-NE1 3.11Å
218	L	80.1	Confident	88.1	Confident	127 Å²	127	51.6 Å²	51.6	67%	0.665	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.2	-175.5	-62.5	-179.4	0	0	0	113	R214 H216 W220	R214-L218 HydrophobicContact CB-CD2 4.49Å; R214-L218 HydrophobicContact CG-CD2 3.95Å; R214-L218 PolarHBondContact NH1-O 3.18Å; R214-L218 VanDerWaalsContact NH2-C 3.34Å; R214-L218 VanDerWaalsContact NH2-CA 3.34Å; R214-L218 PolarHBondContact NH2-O 3.4Å; H216-L218 PolarHBondContact O-N 2.72Å; L218-W220 VanDerWaalsContact C-N 3.27Å; L218-W220 PolarHBondContact O-N 2.89Å
219	T	81.4	Confident	88.3	Confident	78 Å²	78	49.2 Å²	49.2	48%	0.479	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.5	177.3	66.9	0	0	0	0	113.1	D217	D217-T219 PolarHBondContact O-N 3.23Å; D217-T219 VanDerWaalsContact OD1-CB 3.32Å; D217-T219 WeakPolarHBondContact OD1-CB 3.38Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.4Å; D217-T219 PolarHBondContact OD1-N 3.48Å; D217-T219 PolarHBondContact OD1-OG1 2.7Å; D217-T219 PolarHBondContact OD2-OG1 2.85Å
220	W	84.4	Confident	88.5	Confident	23 Å²	23	49.6 Å²	49.6	9%	0.087	25%	0.245	C	C	.	.	S	Bend	trans	-74.3	144.5	-179.3	-61.9	-5.4	0	0	0	112.3	R214 H216 D217 L218 C222 L225 A242 N243 L279 M316 L323	R214-W220 PolarHBondContact NH2-O 3.27Å; H216-W220 HydrophobicContact CB-CE3 4.27Å; H216-W220 HydrophobicContact CB-CZ3 3.99Å; H216-W220 AromaticContact CD2-CE3 3.91Å; D217-W220 HydrophobicContact CB-CD2 3.87Å; D217-W220 HydrophobicContact CB-CE3 4.5Å; D217-W220 HydrophobicContact CB-CG 4.11Å; D217-W220 HydrophobicContact CB-CZ2 3.94Å; D217-W220 PolarHBondContact O-N 3.43Å; D217-W220 PolarHBondContact OD2-NE1 3.11Å; L218-W220 VanDerWaalsContact C-N 3.27Å; L218-W220 PolarHBondContact O-N 2.89Å; W220-C222 PolarHBondContact O-N 3.45Å; W220-L225 HydrophobicContact CB-CD1 3.93Å; W220-L225 HydrophobicContact CD2-CD1 4.4Å; W220-L225 HydrophobicContact CE3-CD1 3.82Å; W220-A242 HydrophobicContact CE3-CB 3.94Å; W220-A242 HydrophobicContact CZ3-CB 3.87Å; W220-N243 HydrophobicContact CZ3-CB 4.42Å; W220-L279 HydrophobicContact CE3-CD2 4.34Å; W220-L279 HydrophobicContact CH2-CD2 4.43Å; W220-L279 HydrophobicContact CZ3-CD2 3.83Å; W220-M316 HydrophobicContact CH2-CE 3.58Å; W220-M316 HydrophobicContact CH2-SD 4.06Å; W220-M316 HydrophobicContact CZ2-CE 4.47Å; W220-M316 HydrophobicContact CZ2-SD 4.41Å; W220-M316 HydrophobicContact CZ3-CE 4.22Å; W220-L323 WeakPolarHBondContact CA-O 3.39Å; W220-L323 HydrophobicContact CB-CD2 4.35Å; W220-L323 HydrophobicContact CD2-CD2 4.16Å; W220-L323 HydrophobicContact CE3-CD2 4.43Å; W220-L323 HydrophobicContact CG-CD2 4.13Å
221	R	82.5	Confident	88.5	Confident	111 Å²	111	49 Å²	49	42%	0.419	24%	0.239	S	C	.	.			trans	-74	88.3	175.8	-64.2	-173.9	64.2	-173.9	-1.6	112.1	E223 L224 L323 V325	R221-E223 PolarHBondContact O-N 3.26Å; R221-L224 HydrophobicContact CB-CD1 4.23Å; R221-L224 HydrophobicContact CB-CG 4.38Å; R221-L224 PolarHBondContact O-N 2.8Å; R221-L323 PolarHBondContact N-O 3.27Å; R221-V325 HydrophobicContact CG-CG2 3.93Å
222	C	80.3	Confident	88.4	Confident	5 Å²	5	46 Å²	46	3%	0.034	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22.6	-177.3	-77.2	0	0	0	0	114.9	R214 H216 W220 L224 L225 W241	R214-C222 PolarHBondContact NE-SG 3.34Å; R214-C222 PolarHBondContact NH1-SG 3.08Å; R214-C222 PolarHBondContact NH2-SG 3.47Å; H216-C222 PolarHBondContact NE2-SG 3.02Å; W220-C222 PolarHBondContact O-N 3.45Å; C222-L224 PolarHBondContact O-N 3.05Å; C222-L224 VanDerWaalsContact O-N 3.15Å; C222-L225 CarbonylContact O-C 3.52Å; C222-L225 VanDerWaalsContact O-C 3.25Å; C222-L225 PolarHBondContact O-N 3.43Å; C222-L225 VanDerWaalsContact O-O 3.14Å; C222-W241 HydrophobicContact CB-CZ2 4.36Å
223	E	78.2	Confident	88.2	Confident	110 Å²	110	46.8 Å²	46.8	51%	0.514	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.9	-19.7	175.3	-45.8	86	168.5	0	0	111.7	R221	R221-E223 PolarHBondContact O-N 3.26Å
224	L	86.6	Confident	88	Confident	35 Å²	35	47.4 Å²	47.4	18%	0.183	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-100.4	-2.6	174.8	-55.2	-179.9	0	0	0	113.2	R221 C222 F322 H377	R221-L224 HydrophobicContact CB-CD1 4.23Å; R221-L224 HydrophobicContact CB-CG 4.38Å; R221-L224 PolarHBondContact O-N 2.8Å; C222-L224 PolarHBondContact O-N 3.05Å; C222-L224 VanDerWaalsContact O-N 3.15Å; L224-F322 HydrophobicContact CD1-CB 4.34Å; L224-H377 WeakPolarHBondContact O-CB 3.24Å; L224-H377 PolarHBondContact O-N 3.31Å
225	L	90.4	Very high	88.2	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	24%	0.24	C	C	.	.	S	Bend	trans	-127.4	72	-179.4	-56.6	176.1	0	0	0	109.3	W220 C222 A227 W241 A242 L279 L323 C376	W220-L225 HydrophobicContact CB-CD1 3.93Å; W220-L225 HydrophobicContact CD2-CD1 4.4Å; W220-L225 HydrophobicContact CE3-CD1 3.82Å; C222-L225 CarbonylContact O-C 3.52Å; C222-L225 VanDerWaalsContact O-C 3.25Å; C222-L225 PolarHBondContact O-N 3.43Å; C222-L225 VanDerWaalsContact O-O 3.14Å; L225-A227 PolarHBondContact O-N 2.8Å; L225-W241 PolarHBondContact O-NE1 3.01Å; L225-A242 HydrophobicContact CB-CB 4.37Å; L225-A242 HydrophobicContact CD1-CB 3.85Å; L225-L279 HydrophobicContact CD2-CD1 3.91Å; L225-L279 HydrophobicContact CD2-CD2 4.24Å; L225-L323 HydrophobicContact CD1-CD2 3.61Å; L225-L323 HydrophobicContact CD2-CD2 3.94Å; L225-L323 HydrophobicContact CG-CD2 4.16Å; L225-C376 HydrophobicContact CD2-CB 3.7Å
226	P	89.6	Confident	88.6	Confident	29 Å²	29	43.9 Å²	43.9	19%	0.188	22%	0.223	C	C	.	.			trans	-61.7	139.8	-177.4	26	-33.7	0	0	0	111.1	H228 H377	P226-H228 PolarHBondContact O-CD2 3.38Å; P226-H228 PolarHBondContact O-NE2 3.3Å; P226-H377 HydrophobicContact CG-CB 4.43Å
227	A	95	Very high	89.1	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.008	22%	0.222	C	C	.	.			trans	-72.1	138	165.5	0	0	0	0	0	110.8	H181 A193 V198 L225 W241	H181-A227 PolarHBondContact CE1-N 2.87Å; A193-A227 HydrophobicContact CB-CB 3.7Å; V198-A227 HydrophobicContact CG2-CB 4Å; L225-A227 PolarHBondContact O-N 2.8Å; A227-W241 HydrophobicContact CB-CB 3.88Å; A227-W241 HydrophobicContact CB-CD2 3.66Å; A227-W241 HydrophobicContact CB-CE3 4.29Å; A227-W241 HydrophobicContact CB-CG 3.49Å; A227-W241 VanDerWaalsContact CB-CG 3.49Å
228	H	96	Very high	89.7	Confident	33 Å²	33	40.3 Å²	40.3	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.3	178.3	-58.1	-86.4	0	0	0	109.8	P226 I239 G240 T281 L283	P226-H228 PolarHBondContact O-CD2 3.38Å; P226-H228 PolarHBondContact O-NE2 3.3Å; H228-I239 WeakPolarHBondContact O-CA 3.32Å; H228-G240 PolarHBondContact N-O 3.06Å; H228-G240 PolarHBondContact O-N 3.03Å; H228-T281 PolarHBondContact CE1-O 2.77Å; H228-T281 VanDerWaalsContact NE2-C 3.28Å; H228-T281 PolarHBondContact NE2-O 2.96Å; H228-L283 HydrophobicContact CB-CD2 3.77Å; H228-L283 HydrophobicContact CB-CG 4.25Å
229	I	97.5	Very high	90.5	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.108	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.6	-176.7	-54.3	164.1	0	0	0	108.7	A191 A193 V198 F237 M238	A191-I229 HydrophobicContact CB-CD1 4.02Å; A191-I229 HydrophobicContact CB-CG2 3.96Å; A193-I229 HydrophobicContact CB-CD1 4.31Å; V198-I229 HydrophobicContact CG1-CD1 3.72Å; V198-I229 HydrophobicContact CG1-CG1 4.07Å; I229-F237 HydrophobicContact CG2-CD2 4.18Å; I229-M238 WeakPolarHBondContact CA-O 3.32Å
230	C	95.9	Very high	91.2	Very high	22 Å²	22	30.8 Å²	30.8	15%	0.149	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.2	176.9	-173.5	0	0	0	0	110.4	F237 M238 L283	C230-F237 CarbonylContact O-C 3.58Å; C230-F237 VanDerWaalsContact O-CA 3.26Å; C230-F237 WeakPolarHBondContact O-CA 3.49Å; C230-F237 WeakPolarHBondContact O-CB 3.48Å; C230-M238 PolarHBondContact N-O 3.22Å; C230-M238 PolarHBondContact O-N 3.07Å; C230-L283 HydrophobicContact CB-CD1 3.2Å; C230-L283 HydrophobicContact CB-CG 4.32Å
231	W	95.2	Very high	91.7	Very high	24 Å²	24	29.9 Å²	29.9	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.7	176.9	-63.1	88.8	0	0	0	110.3	S184 R186 L189 A191 F237 Y285	S184-W231 PolarHBondContact OG-NE1 3.16Å; R186-W231 HydrophobicContact CB-CD2 3.42Å; R186-W231 VanDerWaalsContact CB-CD2 3.42Å; R186-W231 HydrophobicContact CB-CE3 3.77Å; R186-W231 HydrophobicContact CB-CG 3.75Å; R186-W231 HydrophobicContact CB-CH2 4.32Å; R186-W231 HydrophobicContact CB-CZ2 3.97Å; R186-W231 HydrophobicContact CB-CZ3 4.22Å; R186-W231 HydrophobicContact CG-CB 4.27Å; R186-W231 HydrophobicContact CG-CD2 3.85Å; R186-W231 HydrophobicContact CG-CE3 3.9Å; R186-W231 HydrophobicContact CG-CG 4Å; L189-W231 HydrophobicContact CB-CH2 3.72Å; L189-W231 HydrophobicContact CB-CZ2 4.36Å; L189-W231 HydrophobicContact CB-CZ3 4.39Å; L189-W231 HydrophobicContact CD1-CH2 3.93Å; L189-W231 HydrophobicContact CD1-CZ3 3.89Å; A191-W231 HydrophobicContact CB-CH2 4.3Å; A191-W231 HydrophobicContact CB-CZ2 3.56Å; W231-F237 HydrophobicContact CD2-CB 3.79Å; W231-F237 HydrophobicContact CE3-CB 3.59Å; W231-F237 HydrophobicContact CE3-CD1 4.2Å; W231-F237 HydrophobicContact CE3-CG 4.19Å; W231-F237 HydrophobicContact CG-CB 4.28Å; W231-F237 HydrophobicContact CH2-CD1 4.07Å; W231-F237 HydrophobicContact CH2-CG 4.35Å; W231-F237 HydrophobicContact CZ3-CB 3.98Å; W231-F237 AromaticContact CZ3-CD1 3.7Å; W231-F237 HydrophobicContact CZ3-CD1 3.7Å; W231-F237 HydrophobicContact CZ3-CG 4.07Å; W231-Y285 WeakPolarHBondContact O-CE1 3.43Å
232	F	91.6	Very high	92.3	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.044	13%	0.127	C	C	.	.	S	Bend	trans	-78.6	-39	168.7	-55.5	-76.1	0	0	0	110.7	N236 M238 I247 Y285 W306	F232-N236 HydrophobicContact CB-CB 4.06Å; F232-N236 HydrophobicContact CD2-CB 3.89Å; F232-N236 HydrophobicContact CG-CB 4.44Å; F232-N236 PolarHBondContact N-O 3.1Å; F232-M238 HydrophobicContact CE1-CE 4.17Å; F232-M238 HydrophobicContact CE2-CB 3.67Å; F232-M238 HydrophobicContact CZ-CB 3.66Å; F232-M238 HydrophobicContact CZ-CE 3.89Å; F232-M238 HydrophobicContact CZ-CG 4.49Å; F232-M238 HydrophobicContact CZ-SD 4.19Å; F232-I247 HydrophobicContact CE2-CG2 3.96Å; F232-Y285 AromaticContact CD1-CD1 3.45Å; F232-Y285 HydrophobicContact CD1-CD1 3.45Å; F232-Y285 VanDerWaalsContact CD1-CD1 3.45Å; F232-Y285 HydrophobicContact CD1-CD2 4.02Å; F232-Y285 AromaticContact CD1-CE1 3.86Å; F232-Y285 HydrophobicContact CD1-CE1 3.86Å; F232-Y285 HydrophobicContact CD1-CE2 4.39Å; F232-Y285 AromaticContact CD1-CG 3.54Å; F232-Y285 HydrophobicContact CD1-CG 3.54Å; F232-Y285 AromaticContact CE1-CD1 3.83Å; F232-Y285 HydrophobicContact CE1-CD1 3.83Å; F232-Y285 AromaticContact CE1-CG 3.78Å; F232-Y285 HydrophobicContact CE1-CG 3.78Å; F232-Y285 HydrophobicContact CG-CD1 4.47Å; F232-Y285 PolarHBondContact O-OH 3.11Å; F232-W306 HydrophobicContact CD1-CB 3.72Å; F232-W306 AromaticContact CD1-CD1 3.23Å; F232-W306 HydrophobicContact CD1-CD2 4.5Å; F232-W306 AromaticContact CD1-CG 3.55Å; F232-W306 HydrophobicContact CD1-CG 3.55Å; F232-W306 AromaticContact CD2-CD1 3.94Å; F232-W306 HydrophobicContact CE1-CB 3.93Å; F232-W306 AromaticContact CE1-CD1 3.49Å; F232-W306 VanDerWaalsContact CE1-CD1 3.49Å; F232-W306 HydrophobicContact CE1-CD2 4.08Å; F232-W306 AromaticContact CE1-CG 3.56Å; F232-W306 HydrophobicContact CE1-CG 3.56Å; F232-W306 AromaticContact CE1-NE1 3.94Å; F232-W306 AromaticContact CG-CD1 3.45Å; F232-W306 VanDerWaalsContact CG-CD1 3.45Å; F232-W306 HydrophobicContact CG-CG 4.23Å; F232-W306 AromaticContact CZ-CD1 3.97Å; F232-W306 HydrophobicContact CZ-CD2 4.45Å; F232-W306 HydrophobicContact CZ-CG 4.28Å; F232-W306 AromaticContact CZ-NE1 3.94Å
233	D	90.6	Very high	92.9	Very high	30 Å²	30	25 Å²	25	16%	0.16	13%	0.129	C	C	.	.	S	Bend	trans	-158.8	-162	178.5	59.7	47.3	0	0	0	110.1	N235 N236	D233-N235 PolarHBondContact O-N 3.36Å; D233-N235 WeakPolarHBondContact OD1-CA 3.39Å; D233-N235 PolarHBondContact OD1-N 3.13Å; D233-N236 VanDerWaalsContact CG-ND2 3.3Å; D233-N236 PolarHBondContact N-O 2.83Å; D233-N236 WeakPolarHBondContact OD1-CB 3.45Å; D233-N236 PolarHBondContact OD1-N 2.85Å; D233-N236 PolarHBondContact OD1-ND2 3.49Å; D233-N236 PolarHBondContact OD2-ND2 3.37Å
234	D	90.2	Very high	93.7	Very high	89 Å²	89	20.2 Å²	20.2	48%	0.476	11%	0.108	S	C	.	.	S	Bend	trans	-72.4	-14.3	-176.1	-59.9	-19.3	0	0	0	114	R186 L189	R186-D234 IonicContact CZ-OD1 3.48Å; R186-D234 IonicContact NE-OD1 2.65Å; R186-D234 PolarHBondContact NE-OD1 3.36Å; R186-D234 IonicContact NH2-OD1 3.13Å; R186-D234 PolarHBondContact NH2-OD1 3.17Å; L189-D234 WeakPolarHBondContact CD1-O 3.22Å
235	N	92	Very high	94.2	Very high	71 Å²	71	18.6 Å²	18.6	38%	0.38	10%	0.099	S	C	.	.	S	Bend	trans	-123.9	-23.1	-176.3	-62.8	-27.8	0	0	0	112.8	D233 T249 V250	D233-N235 PolarHBondContact O-N 3.36Å; D233-N235 WeakPolarHBondContact OD1-CA 3.39Å; D233-N235 PolarHBondContact OD1-N 3.13Å; N235-T249 CarbonylContact O-C 3.56Å; N235-T249 WeakPolarHBondContact O-CA 3.41Å; N235-V250 WeakPolarHBondContact O-CG2 3.46Å; N235-V250 PolarHBondContact O-N 2.93Å
236	N	93.7	Very high	94.5	Very high	24 Å²	24	18.8 Å²	18.8	13%	0.128	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.5	-175.1	-61.7	-78.1	0	0	0	110.5	F232 D233 C248 T249	F232-N236 HydrophobicContact CB-CB 4.06Å; F232-N236 HydrophobicContact CD2-CB 3.89Å; F232-N236 HydrophobicContact CG-CB 4.44Å; F232-N236 PolarHBondContact N-O 3.1Å; D233-N236 VanDerWaalsContact CG-ND2 3.3Å; D233-N236 PolarHBondContact N-O 2.83Å; D233-N236 WeakPolarHBondContact OD1-CB 3.45Å; D233-N236 PolarHBondContact OD1-N 2.85Å; D233-N236 PolarHBondContact OD1-ND2 3.49Å; D233-N236 PolarHBondContact OD2-ND2 3.37Å; N236-C248 WeakPolarHBondContact CA-O 3.37Å; N236-T249 VanDerWaalsContact OD1-CB 3.27Å; N236-T249 WeakPolarHBondContact OD1-CB 3.27Å; N236-T249 PolarHBondContact OD1-OG1 3.33Å
237	F	95.9	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.6	176.4	69.1	-81	0	0	0	111.9	V200 I229 C230 W231 I239 C248 V250 V267	V200-F237 HydrophobicContact CG2-CE1 4.14Å; V200-F237 HydrophobicContact CG2-CE2 4.23Å; V200-F237 HydrophobicContact CG2-CZ 3.58Å; I229-F237 HydrophobicContact CG2-CD2 4.18Å; C230-F237 CarbonylContact O-C 3.58Å; C230-F237 VanDerWaalsContact O-CA 3.26Å; C230-F237 WeakPolarHBondContact O-CA 3.49Å; C230-F237 WeakPolarHBondContact O-CB 3.48Å; W231-F237 HydrophobicContact CD2-CB 3.79Å; W231-F237 HydrophobicContact CE3-CB 3.59Å; W231-F237 HydrophobicContact CE3-CD1 4.2Å; W231-F237 HydrophobicContact CE3-CG 4.19Å; W231-F237 HydrophobicContact CG-CB 4.28Å; W231-F237 HydrophobicContact CH2-CD1 4.07Å; W231-F237 HydrophobicContact CH2-CG 4.35Å; W231-F237 HydrophobicContact CZ3-CB 3.98Å; W231-F237 AromaticContact CZ3-CD1 3.7Å; W231-F237 HydrophobicContact CZ3-CD1 3.7Å; W231-F237 HydrophobicContact CZ3-CG 4.07Å; F237-I239 HydrophobicContact CD2-CG1 4.1Å; F237-I239 HydrophobicContact CE2-CD1 3.79Å; F237-I239 HydrophobicContact CE2-CG1 3.84Å; F237-C248 HydrophobicContact CD1-CB 3.93Å; F237-C248 HydrophobicContact CD2-CB 4.25Å; F237-C248 HydrophobicContact CE1-CB 3.42Å; F237-C248 VanDerWaalsContact CE1-CB 3.42Å; F237-C248 HydrophobicContact CE2-CB 3.8Å; F237-C248 HydrophobicContact CG-CB 4.31Å; F237-C248 HydrophobicContact CZ-CB 3.35Å; F237-C248 PolarHBondContact N-O 3.06Å; F237-C248 PolarHBondContact O-N 3.45Å; F237-C248 VanDerWaalsContact O-O 3.11Å; F237-V250 HydrophobicContact CD1-CG2 4.29Å; F237-V250 HydrophobicContact CE1-CG2 3.87Å; F237-V267 HydrophobicContact CE1-CG1 3.97Å; F237-V267 HydrophobicContact CZ-CG1 3.96Å
238	M	95.9	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.5	178.8	178.3	167.3	48.3	0	0	109.8	I229 C230 F232 I245 T246 I247 L283 S284 I309	I229-M238 WeakPolarHBondContact CA-O 3.32Å; C230-M238 PolarHBondContact N-O 3.22Å; C230-M238 PolarHBondContact O-N 3.07Å; F232-M238 HydrophobicContact CE1-CE 4.17Å; F232-M238 HydrophobicContact CE2-CB 3.67Å; F232-M238 HydrophobicContact CZ-CB 3.66Å; F232-M238 HydrophobicContact CZ-CE 3.89Å; F232-M238 HydrophobicContact CZ-CG 4.49Å; F232-M238 HydrophobicContact CZ-SD 4.19Å; M238-I245 HydrophobicContact CG-CG2 4.08Å; M238-I245 HydrophobicContact SD-CG2 3.88Å; M238-T246 CarbonylContact C-O 3.51Å; M238-T246 WeakPolarHBondContact CA-O 3.17Å; M238-I247 HydrophobicContact CB-CG1 4.4Å; M238-I247 HydrophobicContact CG-CG1 4.15Å; M238-I247 HydrophobicContact SD-CG1 4.24Å; M238-L283 HydrophobicContact CB-CD1 3.94Å; M238-L283 HydrophobicContact CE-CB 4.17Å; M238-L283 HydrophobicContact CE-CD1 3.3Å; M238-L283 HydrophobicContact CE-CG 4.3Å; M238-L283 HydrophobicContact CG-CD1 3.71Å; M238-L283 HydrophobicContact SD-CD1 4.04Å; M238-S284 WeakPolarHBondContact CE-O 3.26Å; M238-I309 HydrophobicContact CE-CB 4.4Å; M238-I309 HydrophobicContact CE-CG1 4.11Å; M238-I309 HydrophobicContact CE-CG2 3.62Å; M238-I309 HydrophobicContact SD-CB 4.47Å; M238-I309 HydrophobicContact SD-CD1 3.92Å; M238-I309 HydrophobicContact SD-CG1 4.01Å; M238-I309 HydrophobicContact SD-CG2 3.65Å
239	I	97.9	Very high	94.8	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.8	171.6	-58.9	160	0	0	0	107.2	V198 V212 H228 F237 W241 I245 T246	V198-I239 HydrophobicContact CB-CD1 3.66Å; V198-I239 HydrophobicContact CB-CG1 4.18Å; V198-I239 HydrophobicContact CG1-CD1 3.86Å; V198-I239 HydrophobicContact CG1-CG1 4.09Å; V198-I239 HydrophobicContact CG2-CD1 3.98Å; V198-I239 HydrophobicContact CG2-CG1 4.09Å; V198-I239 HydrophobicContact CG2-CG2 3.63Å; V212-I239 HydrophobicContact CB-CD1 3.9Å; V212-I239 HydrophobicContact CG1-CD1 3.88Å; V212-I239 HydrophobicContact CG2-CD1 3.93Å; H228-I239 WeakPolarHBondContact O-CA 3.32Å; F237-I239 HydrophobicContact CD2-CG1 4.1Å; F237-I239 HydrophobicContact CE2-CD1 3.79Å; F237-I239 HydrophobicContact CE2-CG1 3.84Å; I239-W241 HydrophobicContact CG2-CB 4.29Å; I239-I245 CarbonylContact O-C 3.59Å; I239-I245 WeakPolarHBondContact O-CA 3.5Å; I239-T246 PolarHBondContact N-O 3.3Å; I239-T246 PolarHBondContact O-N 2.93Å
240	G	96.1	Very high	94.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.6	165.6	0	0	0	0	0	107.7	H228 T244	H228-G240 PolarHBondContact N-O 3.06Å; H228-G240 PolarHBondContact O-N 3.03Å; G240-T244 CarbonylContact C-O 3.59Å; G240-T244 WeakPolarHBondContact CA-O 3.39Å
241	W	95.4	Very high	94.3	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.019	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	120.2	-174.6	-168.3	13	0	0	0	111.4	N194 G197 R214 H216 C222 L225 A227 I239 N243 T244	N194-W241 VanDerWaalsContact O-CH2 3.27Å; N194-W241 WeakPolarHBondContact O-CH2 3.49Å; N194-W241 WeakPolarHBondContact O-CZ2 3.47Å; G197-W241 VanDerWaalsContact CA-CZ3 3.49Å; R214-W241 HydrophobicContact CB-CE3 4.48Å; R214-W241 HydrophobicContact CB-CH2 3.82Å; R214-W241 HydrophobicContact CB-CZ3 3.63Å; R214-W241 HydrophobicContact CG-CH2 4.12Å; R214-W241 HydrophobicContact CG-CZ3 4.12Å; H216-W241 AromaticContact CE1-CD1 3.74Å; H216-W241 AromaticContact CE1-CD2 3.51Å; H216-W241 AromaticContact CE1-CE2 3.57Å; H216-W241 AromaticContact CE1-CG 3.65Å; H216-W241 AromaticContact CE1-NE1 3.67Å; H216-W241 PolarHBondContact ND1-O 3.1Å; C222-W241 HydrophobicContact CB-CZ2 4.36Å; L225-W241 PolarHBondContact O-NE1 3.01Å; A227-W241 HydrophobicContact CB-CB 3.88Å; A227-W241 HydrophobicContact CB-CD2 3.66Å; A227-W241 HydrophobicContact CB-CE3 4.29Å; A227-W241 HydrophobicContact CB-CG 3.49Å; A227-W241 VanDerWaalsContact CB-CG 3.49Å; I239-W241 HydrophobicContact CG2-CB 4.29Å; W241-N243 PolarHBondContact O-N 2.89Å; W241-T244 PolarHBondContact N-O 3.07Å; W241-T244 PolarHBondContact O-N 3.3Å; W241-T244 PolarHBondContact O-OG1 3.47Å
242	A	93.7	Very high	93.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-110	-168	0	0	0	0	0	109.1	H216 W220 L225 L279 I280	H216-A242 HydrophobicContact CB-CB 4.06Å; W220-A242 HydrophobicContact CE3-CB 3.94Å; W220-A242 HydrophobicContact CZ3-CB 3.87Å; L225-A242 HydrophobicContact CB-CB 4.37Å; L225-A242 HydrophobicContact CD1-CB 3.85Å; A242-L279 HydrophobicContact CB-CD2 4Å; A242-L279 CarbonylContact O-C 3.52Å; A242-L279 WeakPolarHBondContact O-CA 3.2Å; A242-I280 WeakPolarHBondContact O-CB 3.43Å; A242-I280 WeakPolarHBondContact O-CG1 3.14Å; A242-I280 PolarHBondContact O-N 3.45Å
243	N	93.5	Very high	92.7	Very high	13 Å²	13	22.4 Å²	22.4	7%	0.07	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	8.6	178.9	74.8	-38.7	0	0	0	114.5	H216 W220 W241 E274 M275 H278 L279 M316	H216-N243 WeakPolarHBondContact CB-OD1 3.41Å; W220-N243 HydrophobicContact CZ3-CB 4.42Å; W241-N243 PolarHBondContact O-N 2.89Å; N243-E274 CarbonylContact O-C 3.5Å; N243-E274 WeakPolarHBondContact O-CA 3.37Å; N243-M275 HydrophobicContact CB-CB 4.47Å; N243-M275 VanDerWaalsContact CB-O 3.3Å; N243-M275 WeakPolarHBondContact CB-O 3.09Å; N243-M275 PolarHBondContact ND2-O 2.7Å; N243-M275 PolarHBondContact O-N 3.06Å; N243-H278 VanDerWaalsContact CB-O 3.24Å; N243-H278 WeakPolarHBondContact CB-O 3.34Å; N243-L279 HydrophobicContact CB-CD2 4.43Å; N243-M316 HydrophobicContact CB-CE 3.23Å
244	T	95.7	Very high	91.6	Very high	10 Å²	10	24.7 Å²	24.7	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140	-176	58	0	0	0	0	110.9	R215 H216 G240 W241 W273 E274 I280	R215-T244 HydrophobicContact CB-CG2 4.15Å; H216-T244 HydrophobicContact CB-CG2 4.01Å; G240-T244 CarbonylContact C-O 3.59Å; G240-T244 WeakPolarHBondContact CA-O 3.39Å; W241-T244 PolarHBondContact N-O 3.07Å; W241-T244 PolarHBondContact O-N 3.3Å; W241-T244 PolarHBondContact O-OG1 3.47Å; T244-W273 WeakPolarHBondContact CA-O 3.32Å; T244-E274 HydrophobicContact CG2-CG 3.84Å; T244-I280 VanDerWaalsContact O-CD1 3.28Å; T244-I280 WeakPolarHBondContact O-CD1 3.03Å
245	I	96.2	Very high	90.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134	172.6	-57.7	167.7	0	0	0	107.7	M238 I239 M272 W273 M275 I280 L311 L350	M238-I245 HydrophobicContact CG-CG2 4.08Å; M238-I245 HydrophobicContact SD-CG2 3.88Å; I239-I245 CarbonylContact O-C 3.59Å; I239-I245 WeakPolarHBondContact O-CA 3.5Å; I245-M272 VanDerWaalsContact O-CA 3.31Å; I245-M272 WeakPolarHBondContact O-CA 3.5Å; I245-W273 HydrophobicContact CB-CE3 3.92Å; I245-W273 HydrophobicContact CB-CZ3 4.49Å; I245-W273 HydrophobicContact CD1-CE3 4.11Å; I245-W273 HydrophobicContact CG2-CE3 3.83Å; I245-W273 HydrophobicContact CG2-CZ3 3.89Å; I245-W273 PolarHBondContact N-O 2.96Å; I245-W273 PolarHBondContact O-N 3.41Å; I245-M275 HydrophobicContact CD1-CG 4.21Å; I245-M275 HydrophobicContact CD1-SD 4.44Å; I245-I280 HydrophobicContact CD1-CD1 4.19Å; I245-I280 HydrophobicContact CG1-CD1 3.46Å; I245-I280 VanDerWaalsContact CG1-CD1 3.46Å; I245-L311 HydrophobicContact CD1-CD1 3.44Å; I245-L311 VanDerWaalsContact CD1-CD1 3.44Å; I245-L311 HydrophobicContact CD1-CD2 4.04Å; I245-L311 HydrophobicContact CD1-CG 4.35Å; I245-L350 HydrophobicContact CD1-CD1 4.01Å
246	T	97.3	Very high	88.8	Confident	6 Å²	6	29.6 Å²	29.6	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	122.5	177.5	-58.5	0	0	0	0	109.6	V212 M238 I239 I269 H271 M272	V212-T246 HydrophobicContact CG1-CG2 4.23Å; M238-T246 CarbonylContact C-O 3.51Å; M238-T246 WeakPolarHBondContact CA-O 3.17Å; I239-T246 PolarHBondContact N-O 3.3Å; I239-T246 PolarHBondContact O-N 2.93Å; T246-I269 HydrophobicContact CG2-CD1 4.16Å; T246-I269 HydrophobicContact CG2-CG1 4.14Å; T246-I269 HydrophobicContact CG2-CG2 3.72Å; T246-H271 WeakPolarHBondContact CA-O 3.46Å; T246-M272 HydrophobicContact CG2-CE 3.78Å
247	I	96	Very high	87	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.7	175.9	-59.5	176.9	0	0	0	108.4	F232 M238 R270 H271 W273 W306 I309	F232-I247 HydrophobicContact CE2-CG2 3.96Å; M238-I247 HydrophobicContact CB-CG1 4.4Å; M238-I247 HydrophobicContact CG-CG1 4.15Å; M238-I247 HydrophobicContact SD-CG1 4.24Å; I247-R270 HydrophobicContact CG2-CB 4.42Å; I247-R270 PolarHBondContact O-N 3.26Å; I247-H271 HydrophobicContact CB-CB 4.05Å; I247-H271 HydrophobicContact CD1-CB 4.01Å; I247-H271 HydrophobicContact CG1-CB 4.24Å; I247-H271 PolarHBondContact N-O 2.86Å; I247-H271 PolarHBondContact O-N 3.3Å; I247-W273 HydrophobicContact CD1-CH2 3.71Å; I247-W273 HydrophobicContact CD1-CZ2 4.41Å; I247-W273 HydrophobicContact CD1-CZ3 4.26Å; I247-W306 HydrophobicContact CD1-CH2 4.29Å; I247-W306 HydrophobicContact CD1-CZ2 4.11Å; I247-I309 HydrophobicContact CD1-CD1 3.48Å; I247-I309 VanDerWaalsContact CD1-CD1 3.48Å; I247-I309 HydrophobicContact CG1-CD1 4.5Å
248	C	96.1	Very high	85	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.3	-174.1	-67.7	0	0	0	0	110.5	N236 F237 V267 E268	N236-C248 WeakPolarHBondContact CA-O 3.37Å; F237-C248 HydrophobicContact CD1-CB 3.93Å; F237-C248 HydrophobicContact CD2-CB 4.25Å; F237-C248 HydrophobicContact CE1-CB 3.42Å; F237-C248 VanDerWaalsContact CE1-CB 3.42Å; F237-C248 HydrophobicContact CE2-CB 3.8Å; F237-C248 HydrophobicContact CG-CB 4.31Å; F237-C248 HydrophobicContact CZ-CB 3.35Å; F237-C248 PolarHBondContact N-O 3.06Å; F237-C248 PolarHBondContact O-N 3.45Å; F237-C248 VanDerWaalsContact O-O 3.11Å; C248-V267 HydrophobicContact CB-CG1 3.73Å; C248-E268 CarbonylContact C-O 3.57Å; C248-E268 WeakPolarHBondContact CA-O 3.42Å
249	T	94.7	Very high	83	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.1	170	-156.8	0	0	0	0	109.7	N235 N236 N251 V267 E268 R270	N235-T249 CarbonylContact O-C 3.56Å; N235-T249 WeakPolarHBondContact O-CA 3.41Å; N236-T249 VanDerWaalsContact OD1-CB 3.27Å; N236-T249 WeakPolarHBondContact OD1-CB 3.27Å; N236-T249 PolarHBondContact OD1-OG1 3.33Å; T249-N251 WeakPolarHBondContact CG2-ND2 3.02Å; T249-V267 CarbonylContact O-C 3.53Å; T249-V267 WeakPolarHBondContact O-CA 3.46Å; T249-E268 HydrophobicContact CG2-CB 4.02Å; T249-E268 PolarHBondContact N-O 3.39Å; T249-E268 PolarHBondContact O-N 3.12Å; T249-R270 HydrophobicContact CG2-CG 3.98Å
250	V	93.6	Very high	81.3	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	108.7	177.8	-172.4	0	0	0	0	108.1	L189 L209 N235 F237 R265 L266 V267	L189-V250 HydrophobicContact CD1-CB 4.19Å; L189-V250 HydrophobicContact CD1-CG1 4.15Å; L189-V250 HydrophobicContact CD1-CG2 3.9Å; L209-V250 HydrophobicContact CD1-CG1 3.94Å; N235-V250 WeakPolarHBondContact O-CG2 3.46Å; N235-V250 PolarHBondContact O-N 2.93Å; F237-V250 HydrophobicContact CD1-CG2 4.29Å; F237-V250 HydrophobicContact CE1-CG2 3.87Å; V250-R265 HydrophobicContact CG1-CB 3.97Å; V250-L266 CarbonylContact C-O 3.59Å; V250-L266 WeakPolarHBondContact CA-O 3.41Å; V250-V267 HydrophobicContact CG2-CG2 4.06Å
251	N	89.3	Confident	79.6	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.23	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.7	-176.5	-68.6	-29.4	0	0	0	111	T249 R265 L266 E268 R270	T249-N251 WeakPolarHBondContact CG2-ND2 3.02Å; N251-R265 CarbonylContact O-C 3.55Å; N251-R265 VanDerWaalsContact O-CA 3.29Å; N251-R265 WeakPolarHBondContact O-CA 3.39Å; N251-L266 PolarHBondContact N-O 3.19Å; N251-L266 PolarHBondContact O-N 3.04Å; N251-E268 PolarHBondContact ND2-OE2 2.97Å; N251-E268 VanDerWaalsContact ND2-OE2 3.14Å; N251-R270 PolarHBondContact ND2-NH2 2.93Å
252	N	82.8	Confident	78	Confident	123 Å²	123	61.5 Å²	61.5	66%	0.658	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-68	146.5	161.2	-64.9	-27.9	0	0	0	108.9	R265	N252-R265 WeakPolarHBondContact OD1-CG 3.47Å
253	P	71	Confident	76.6	Confident	43 Å²	43	63.2 Å²	63.2	28%	0.279	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-59.5	146.6	175	25.3	-32.8	0	0	0	110.1	S255 G264 L266	P253-S255 PolarHBondContact O-N 3.28Å; P253-G264 WeakPolarHBondContact CD-O 3.23Å; P253-L266 HydrophobicContact CB-CD1 4.18Å
254	P	66.5	Low	75.6	Confident	79 Å²	79	64.9 Å²	64.9	51%	0.513	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-61	138.5	178.6	23.6	-31.7	0	0	0	110.6	T256 V257	P254-T256 PolarHBondContact O-N 3.4Å; P254-V257 HydrophobicContact CG-CG2 3.99Å; P254-V257 PolarHBondContact O-N 3.15Å
255	S	64.4	Low	75.3	Confident	133 Å²	133	66.1 Å²	66.1	93%	0.93	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.3	-175.5	-39.7	0	0	0	0	114.5	P253 V257	P253-S255 PolarHBondContact O-N 3.28Å; S255-V257 VanDerWaalsContact C-N 3.31Å
256	T	58.7	Low	74.9	Confident	129 Å²	129	68.8 Å²	68.8	79%	0.791	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.5	-179.1	46.8	0	0	0	0	114.2	P254	P254-T256 PolarHBondContact O-N 3.4Å
257	V	55.7	Low	74.6	Confident	68 Å²	68	69.6 Å²	69.6	41%	0.412	42%	0.415	S	S	.	.			trans	-106.7	98.8	-175.3	-178.1	0	0	0	0	109.9	P254 S255 L259	P254-V257 HydrophobicContact CG-CG2 3.99Å; P254-V257 PolarHBondContact O-N 3.15Å; S255-V257 VanDerWaalsContact C-N 3.31Å; V257-L259 HydrophobicContact CG1-CB 4.12Å; V257-L259 HydrophobicContact CG1-CD1 3.27Å; V257-L259 HydrophobicContact CG1-CG 3.47Å; V257-L259 VanDerWaalsContact CG1-CG 3.47Å; V257-L259 PolarHBondContact O-N 3.16Å
258	S	53.3	Low	74.5	Confident	120 Å²	120	73.2 Å²	73.2	84%	0.839	43%	0.432	S	S	*	.			trans	-81.6	88.1	171	-173.7	0	0	0	0	109.2
259	L	55.8	Low	74.4	Confident	106 Å²	106	75.6 Å²	75.6	56%	0.555	44%	0.444	S	S	*	.			trans	-127.5	118.1	176.4	-70.2	174.5	0	0	0	110.2	V257 D261 L262	V257-L259 HydrophobicContact CG1-CB 4.12Å; V257-L259 HydrophobicContact CG1-CD1 3.27Å; V257-L259 HydrophobicContact CG1-CG 3.47Å; V257-L259 VanDerWaalsContact CG1-CG 3.47Å; V257-L259 PolarHBondContact O-N 3.16Å; L259-D261 PolarHBondContact O-N 2.95Å; L259-L262 HydrophobicContact CB-CB 4.38Å; L259-L262 HydrophobicContact CD1-CD1 4.35Å
260	L	60.5	Low	74.3	Confident	177 Å²	177	80.2 Å²	80.2	93%	0.927	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.4	175.5	-85.9	117.6	0	0	0	113.4
261	D	60.3	Low	74.4	Confident	159 Å²	159	82 Å²	82	85%	0.85	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-0.5	-168.4	-68.9	-26.2	0	0	0	114.9	L259	L259-D261 PolarHBondContact O-N 2.95Å
262	L	63.4	Low	74.6	Confident	75 Å²	75	80.7 Å²	80.7	39%	0.393	46%	0.462	S	S	.	.	S	Bend	trans	-88.3	140.8	177.6	-129.9	72.7	0	0	0	110.3	L259 G264 L266	L259-L262 HydrophobicContact CB-CB 4.38Å; L259-L262 HydrophobicContact CD1-CD1 4.35Å; L262-G264 PolarHBondContact O-N 3.36Å; L262-L266 HydrophobicContact CD2-CD1 3.64Å; L262-L266 HydrophobicContact CD2-CD2 3.74Å; L262-L266 HydrophobicContact CD2-CG 4.04Å; L262-L266 HydrophobicContact CG-CD2 4.04Å
263	P	63.4	Low	75.1	Confident	35 Å²	35	75.1 Å²	75.1	23%	0.227	43%	0.432	C	S	.	.			trans	-54.4	144.5	167.6	21.4	-32.7	0	0	0	110.5	L209 R265 L266	L209-P263 HydrophobicContact CD2-CB 3.74Å; L209-P263 HydrophobicContact CD2-CG 4.43Å; P263-R265 WeakPolarHBondContact CG-O 3.38Å; P263-R265 PolarHBondContact O-N 3.39Å; P263-L266 HydrophobicContact CG-CD2 4.24Å
264	G	73.8	Confident	76.1	Confident	49 Å²	49	78.4 Å²	78.4	51%	0.505	44%	0.444	S	S	.	.	S	Bend	trans	-62	-6.7	-178.7	0	0	0	0	0	114.6	P253 L262	P253-G264 WeakPolarHBondContact CD-O 3.23Å; L262-G264 PolarHBondContact O-N 3.36Å
265	R	87.5	Confident	77.3	Confident	36 Å²	36	75 Å²	75	14%	0.136	42%	0.421	C	S	.	.	S	Bend	trans	-136.8	150.8	171.1	-70.3	-170.4	-76	-175.9	-7.6	109.9	C188 D202 L209 V250 N251 N252 P263	C188-R265 PolarHBondContact SG-NH2 3.14Å; D202-R265 IonicContact OD1-NH2 3.82Å; D202-R265 PolarHBondContact OD1-NH2 3.18Å; D202-R265 IonicContact OD2-CZ 3.96Å; D202-R265 IonicContact OD2-NE 3.85Å; D202-R265 PolarHBondContact OD2-NE 2.91Å; D202-R265 IonicContact OD2-NH2 3.55Å; D202-R265 PolarHBondContact OD2-NH2 3.19Å; L209-R265 HydrophobicContact CD1-CB 4.04Å; L209-R265 HydrophobicContact CD2-CB 4.35Å; V250-R265 HydrophobicContact CG1-CB 3.97Å; N251-R265 CarbonylContact O-C 3.55Å; N251-R265 VanDerWaalsContact O-CA 3.29Å; N251-R265 WeakPolarHBondContact O-CA 3.39Å; N252-R265 WeakPolarHBondContact OD1-CG 3.47Å; P263-R265 WeakPolarHBondContact CG-O 3.38Å; P263-R265 PolarHBondContact O-N 3.39Å
266	L	87.9	Confident	78.3	Confident	57 Å²	57	73.6 Å²	73.6	30%	0.298	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148	176.8	-67.3	172.2	0	0	0	110	V250 N251 P253 L262 P263	V250-L266 CarbonylContact C-O 3.59Å; V250-L266 WeakPolarHBondContact CA-O 3.41Å; N251-L266 PolarHBondContact N-O 3.19Å; N251-L266 PolarHBondContact O-N 3.04Å; P253-L266 HydrophobicContact CB-CD1 4.18Å; L262-L266 HydrophobicContact CD2-CD1 3.64Å; L262-L266 HydrophobicContact CD2-CD2 3.74Å; L262-L266 HydrophobicContact CD2-CG 4.04Å; L262-L266 HydrophobicContact CG-CD2 4.04Å; P263-L266 HydrophobicContact CG-CD2 4.24Å
267	V	92.2	Very high	79.6	Confident	23 Å²	23	71.8 Å²	71.8	14%	0.139	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.3	172.2	-172.6	0	0	0	0	109.1	V200 L209 T210 F237 C248 T249 V250	V200-V267 HydrophobicContact CB-CG2 4.41Å; V200-V267 HydrophobicContact CG2-CG2 4.49Å; L209-V267 HydrophobicContact CB-CG2 4Å; L209-V267 HydrophobicContact CD1-CG2 4.47Å; T210-V267 HydrophobicContact CG2-CB 3.61Å; T210-V267 HydrophobicContact CG2-CG1 3.99Å; T210-V267 HydrophobicContact CG2-CG2 3.44Å; T210-V267 VanDerWaalsContact CG2-CG2 3.44Å; F237-V267 HydrophobicContact CE1-CG1 3.97Å; F237-V267 HydrophobicContact CZ-CG1 3.96Å; C248-V267 HydrophobicContact CB-CG1 3.73Å; T249-V267 CarbonylContact O-C 3.53Å; T249-V267 WeakPolarHBondContact O-CA 3.46Å; V250-V267 HydrophobicContact CG2-CG2 4.06Å
268	E	92.9	Very high	81.3	Confident	80 Å²	80	69.8 Å²	69.8	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133	176.1	-178.4	-172.3	177.3	0	0	109.7	C248 T249 N251 R270	C248-E268 CarbonylContact C-O 3.57Å; C248-E268 WeakPolarHBondContact CA-O 3.42Å; T249-E268 HydrophobicContact CG2-CB 4.02Å; T249-E268 PolarHBondContact N-O 3.39Å; T249-E268 PolarHBondContact O-N 3.12Å; N251-E268 PolarHBondContact ND2-OE2 2.97Å; N251-E268 VanDerWaalsContact ND2-OE2 3.14Å; E268-R270 VanDerWaalsContact CD-CZ 3.48Å; E268-R270 VanDerWaalsContact CD-NH1 3.26Å; E268-R270 IonicContact OE1-CZ 3.34Å; E268-R270 IonicContact OE1-NH1 2.8Å; E268-R270 PolarHBondContact OE1-NH1 2.88Å; E268-R270 IonicContact OE2-CZ 3.17Å; E268-R270 IonicContact OE2-NE 2.76Å; E268-R270 IonicContact OE2-NH1 2.67Å; E268-R270 PolarHBondContact OE2-NH1 3.28Å; E268-R270 IonicContact OE2-NH2 3.25Å; E268-R270 PolarHBondContact OE2-NH2 3.42Å; E268-R270 VanDerWaalsContact OE2-NH2 3.17Å
269	I	94.5	Very high	83.2	Confident	49 Å²	49	64.1 Å²	64.1	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.2	174	-61	178	0	0	0	108.4	T246 M272 F355	T246-I269 HydrophobicContact CG2-CD1 4.16Å; T246-I269 HydrophobicContact CG2-CG1 4.14Å; T246-I269 HydrophobicContact CG2-CG2 3.72Å; I269-M272 HydrophobicContact CD1-CE 3.72Å; I269-M272 HydrophobicContact CG2-CB 4.28Å; I269-M272 HydrophobicContact CG2-CE 3.84Å; I269-F355 HydrophobicContact CG2-CE2 3.99Å; I269-F355 HydrophobicContact CG2-CZ 4.3Å
270	R	93	Very high	85.1	Confident	97 Å²	97	59.1 Å²	59.1	37%	0.366	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-39.4	-178.1	-68.6	-62.1	-162.8	-169.6	-4.1	113.4	I247 T249 N251 E268 F355	I247-R270 HydrophobicContact CG2-CB 4.42Å; I247-R270 PolarHBondContact O-N 3.26Å; T249-R270 HydrophobicContact CG2-CG 3.98Å; N251-R270 PolarHBondContact ND2-NH2 2.93Å; E268-R270 VanDerWaalsContact CD-CZ 3.48Å; E268-R270 VanDerWaalsContact CD-NH1 3.26Å; E268-R270 IonicContact OE1-CZ 3.34Å; E268-R270 IonicContact OE1-NH1 2.8Å; E268-R270 PolarHBondContact OE1-NH1 2.88Å; E268-R270 IonicContact OE2-CZ 3.17Å; E268-R270 IonicContact OE2-NE 2.76Å; E268-R270 IonicContact OE2-NH1 2.67Å; E268-R270 PolarHBondContact OE2-NH1 3.28Å; E268-R270 IonicContact OE2-NH2 3.25Å; E268-R270 PolarHBondContact OE2-NH2 3.42Å; E268-R270 VanDerWaalsContact OE2-NH2 3.17Å; R270-F355 VanDerWaalsContact O-CD2 3.25Å; R270-F355 WeakPolarHBondContact O-CD2 3.3Å
271	H	94.7	Very high	86.7	Confident	41 Å²	41	50.7 Å²	50.7	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.4	177.6	-56.8	-86.6	0	0	0	110.1	T246 I247 W273 S354 F355	T246-H271 WeakPolarHBondContact CA-O 3.46Å; I247-H271 HydrophobicContact CB-CB 4.05Å; I247-H271 HydrophobicContact CD1-CB 4.01Å; I247-H271 HydrophobicContact CG1-CB 4.24Å; I247-H271 PolarHBondContact N-O 2.86Å; I247-H271 PolarHBondContact O-N 3.3Å; H271-W273 HydrophobicContact CB-CH2 4.13Å; H271-W273 HydrophobicContact CB-CZ2 3.42Å; H271-W273 VanDerWaalsContact CB-CZ2 3.42Å; H271-W273 AromaticContact CG-CZ2 3.8Å; H271-W273 AromaticContact ND1-CZ2 3.97Å; H271-S354 PolarHBondContact ND1-O 3.46Å; H271-F355 CarbonylContact C-O 3.6Å; H271-F355 WeakPolarHBondContact CA-O 3.31Å
272	M	94.3	Very high	88.4	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	122.1	-176.7	-179.2	176.1	-82	0	0	112.1	R215 I245 T246 I269 F355 Q356	R215-M272 VanDerWaalsContact NE-CE 3.35Å; R215-M272 PolarHBondContact NH1-SD 3.42Å; I245-M272 VanDerWaalsContact O-CA 3.31Å; I245-M272 WeakPolarHBondContact O-CA 3.5Å; T246-M272 HydrophobicContact CG2-CE 3.78Å; I269-M272 HydrophobicContact CD1-CE 3.72Å; I269-M272 HydrophobicContact CG2-CB 4.28Å; I269-M272 HydrophobicContact CG2-CE 3.84Å; M272-F355 HydrophobicContact CB-CE1 4.46Å; M272-F355 HydrophobicContact CB-CZ 4.2Å; M272-F355 PolarHBondContact N-O 2.72Å; M272-Q356 WeakPolarHBondContact O-CA 3.39Å
273	W	93.5	Very high	89.9	Confident	7 Å²	7	40 Å²	40	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	163.3	-175.5	-37.6	-57.2	0	0	0	112.3	T244 I245 I247 H271 I309 A352 S354 F355 E357 Y358	T244-W273 WeakPolarHBondContact CA-O 3.32Å; I245-W273 HydrophobicContact CB-CE3 3.92Å; I245-W273 HydrophobicContact CB-CZ3 4.49Å; I245-W273 HydrophobicContact CD1-CE3 4.11Å; I245-W273 HydrophobicContact CG2-CE3 3.83Å; I245-W273 HydrophobicContact CG2-CZ3 3.89Å; I245-W273 PolarHBondContact N-O 2.96Å; I245-W273 PolarHBondContact O-N 3.41Å; I247-W273 HydrophobicContact CD1-CH2 3.71Å; I247-W273 HydrophobicContact CD1-CZ2 4.41Å; I247-W273 HydrophobicContact CD1-CZ3 4.26Å; H271-W273 HydrophobicContact CB-CH2 4.13Å; H271-W273 HydrophobicContact CB-CZ2 3.42Å; H271-W273 VanDerWaalsContact CB-CZ2 3.42Å; H271-W273 AromaticContact CG-CZ2 3.8Å; H271-W273 AromaticContact ND1-CZ2 3.97Å; W273-I309 HydrophobicContact CH2-CD1 3.51Å; W273-I309 HydrophobicContact CZ3-CD1 3.52Å; W273-A352 HydrophobicContact CH2-CB 3.64Å; W273-A352 HydrophobicContact CZ2-CB 3.54Å; W273-S354 PolarHBondContact NE1-O 2.68Å; W273-F355 PolarHBondContact NE1-O 2.87Å; W273-E357 PolarHBondContact NE1-O 3.41Å; W273-Y358 HydrophobicContact CB-CD1 3.63Å; W273-Y358 HydrophobicContact CB-CE1 3.9Å; W273-Y358 AromaticContact CD2-CD1 3.97Å; W273-Y358 HydrophobicContact CD2-CD1 3.97Å; W273-Y358 HydrophobicContact CD2-CG 4.39Å; W273-Y358 HydrophobicContact CE3-CD1 4.33Å; W273-Y358 AromaticContact CG-CD1 3.64Å; W273-Y358 HydrophobicContact CG-CD1 3.64Å; W273-Y358 HydrophobicContact CG-CE1 4.41Å; W273-Y358 HydrophobicContact CG-CG 4.48Å
274	E	92.7	Very high	91.5	Very high	111 Å²	111	38.4 Å²	38.4	52%	0.519	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.9	173.4	-72.6	179.4	-167.2	0	0	110.6	N243 T244 P276	N243-E274 CarbonylContact O-C 3.5Å; N243-E274 WeakPolarHBondContact O-CA 3.37Å; T244-E274 HydrophobicContact CG2-CG 3.84Å; E274-P276 WeakPolarHBondContact O-CD 3.47Å
275	M	90.4	Very high	92.5	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.044	18%	0.18	C	C	.	.			trans	-103.1	99.1	176.6	-61.7	-65	-68.2	0	0	108.4	N243 I245 E277 H278 L350 Y358	N243-M275 HydrophobicContact CB-CB 4.47Å; N243-M275 VanDerWaalsContact CB-O 3.3Å; N243-M275 WeakPolarHBondContact CB-O 3.09Å; N243-M275 PolarHBondContact ND2-O 2.7Å; N243-M275 PolarHBondContact O-N 3.06Å; I245-M275 HydrophobicContact CD1-CG 4.21Å; I245-M275 HydrophobicContact CD1-SD 4.44Å; M275-E277 VanDerWaalsContact C-N 3.3Å; M275-E277 PolarHBondContact O-N 3.45Å; M275-E277 VanDerWaalsContact O-N 3.17Å; M275-H278 HydrophobicContact CB-CB 4.29Å; M275-H278 PolarHBondContact O-N 3.48Å; M275-L350 HydrophobicContact SD-CD1 4.23Å; M275-Y358 HydrophobicContact SD-CE1 4.07Å; M275-Y358 HydrophobicContact SD-CE2 3.94Å; M275-Y358 PolarHBondContact SD-OH 3.04Å
276	P	85.1	Confident	92.7	Very high	102 Å²	102	35.7 Å²	35.7	66%	0.662	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.5	-165.9	21.3	-32.4	0	0	0	114.8	E274 M316	E274-P276 WeakPolarHBondContact O-CD 3.47Å; P276-M316 VanDerWaalsContact O-SD 3.36Å
277	E	87.5	Confident	92.7	Very high	92 Å²	92	34.4 Å²	34.4	43%	0.43	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	1.2	-175.2	-59.5	-159.8	133.3	0	0	114.5	M275 M316 R317	M275-E277 VanDerWaalsContact C-N 3.3Å; M275-E277 PolarHBondContact O-N 3.45Å; M275-E277 VanDerWaalsContact O-N 3.17Å; E277-M316 PolarHBondContact O-N 3.32Å; E277-R317 IonicContact OE1-CZ 3.53Å; E277-R317 IonicContact OE1-NH2 3.36Å; E277-R317 PolarHBondContact OE1-NH2 3.25Å; E277-R317 IonicContact OE2-NH2 3.8Å
278	H	91.2	Very high	92.3	Very high	26 Å²	26	35.1 Å²	35.1	12%	0.12	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.7	-169.9	-65.3	-77.4	0	0	0	113.3	N243 M275 T313 I314 M316	N243-H278 VanDerWaalsContact CB-O 3.24Å; N243-H278 WeakPolarHBondContact CB-O 3.34Å; M275-H278 HydrophobicContact CB-CB 4.29Å; M275-H278 PolarHBondContact O-N 3.48Å; H278-T313 HydrophobicContact CB-CG2 4.5Å; H278-I314 CarbonylContact C-O 3.58Å; H278-I314 WeakPolarHBondContact CA-O 3.43Å; H278-M316 WeakPolarHBondContact O-CE 3.43Å
279	L	92.9	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.8	169.7	-64.4	166.1	0	0	0	109.8	W220 L225 A242 N243 T313 I314 M316 Q319 L323	W220-L279 HydrophobicContact CE3-CD2 4.34Å; W220-L279 HydrophobicContact CH2-CD2 4.43Å; W220-L279 HydrophobicContact CZ3-CD2 3.83Å; L225-L279 HydrophobicContact CD2-CD1 3.91Å; L225-L279 HydrophobicContact CD2-CD2 4.24Å; A242-L279 HydrophobicContact CB-CD2 4Å; A242-L279 CarbonylContact O-C 3.52Å; A242-L279 WeakPolarHBondContact O-CA 3.2Å; N243-L279 HydrophobicContact CB-CD2 4.43Å; L279-T313 CarbonylContact O-C 3.57Å; L279-T313 WeakPolarHBondContact O-CA 3.49Å; L279-T313 WeakPolarHBondContact O-CB 3.32Å; L279-I314 HydrophobicContact CB-CG1 4.02Å; L279-I314 PolarHBondContact N-O 2.98Å; L279-I314 PolarHBondContact O-N 3.15Å; L279-M316 HydrophobicContact CD1-CG 4.22Å; L279-M316 HydrophobicContact CD2-CE 3.95Å; L279-M316 HydrophobicContact CD2-CG 4.23Å; L279-M316 HydrophobicContact CG-CE 4.33Å; L279-M316 HydrophobicContact CG-CG 3.75Å; L279-Q319 HydrophobicContact CD1-CB 3.75Å; L279-Q319 HydrophobicContact CD1-CG 3.79Å; L279-L323 HydrophobicContact CD1-CD1 4.18Å; L279-L323 HydrophobicContact CD1-CD2 4.04Å
280	I	95.1	Very high	89.1	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.9	-179.7	-58.6	156.7	0	0	0	108	A242 T244 I245 L283 T313	A242-I280 WeakPolarHBondContact O-CB 3.43Å; A242-I280 WeakPolarHBondContact O-CG1 3.14Å; A242-I280 PolarHBondContact O-N 3.45Å; T244-I280 VanDerWaalsContact O-CD1 3.28Å; T244-I280 WeakPolarHBondContact O-CD1 3.03Å; I245-I280 HydrophobicContact CD1-CD1 4.19Å; I245-I280 HydrophobicContact CG1-CD1 3.46Å; I245-I280 VanDerWaalsContact CG1-CD1 3.46Å; I280-L283 HydrophobicContact CG2-CD2 4.29Å; I280-T313 HydrophobicContact CG1-CG2 4.42Å
281	T	94.2	Very high	86.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-6.2	173.4	62.6	0	0	0	0	112	H228 F312 I314 Y379	H228-T281 PolarHBondContact CE1-O 2.77Å; H228-T281 VanDerWaalsContact NE2-C 3.28Å; H228-T281 PolarHBondContact NE2-O 2.96Å; T281-F312 PolarHBondContact N-O 3.44Å; T281-F312 WeakPolarHBondContact OG1-CD1 3.33Å; T281-F312 WeakPolarHBondContact OG1-CG 3.45Å; T281-F312 PolarHBondContact OG1-O 2.92Å; T281-I314 HydrophobicContact CG2-CB 4.45Å; T281-I314 HydrophobicContact CG2-CD1 3.97Å; T281-I314 HydrophobicContact CG2-CG1 3.9Å; T281-I314 HydrophobicContact CG2-CG2 3.89Å; T281-Y379 HydrophobicContact CG2-CD2 4.17Å; T281-Y379 HydrophobicContact CG2-CG 4.2Å
282	G	95.4	Very high	84.1	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	169.6	168.3	0	0	0	0	0	111.7	F312	G282-F312 PolarHBondContact N-O 3.48Å; G282-F312 PolarHBondContact O-N 3.35Å
283	L	96.4	Very high	81.2	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.5	-172.9	60.6	104	0	0	0	112.9	H228 C230 M238 I280 V310 L311 F381	H228-L283 HydrophobicContact CB-CD2 3.77Å; H228-L283 HydrophobicContact CB-CG 4.25Å; C230-L283 HydrophobicContact CB-CD1 3.2Å; C230-L283 HydrophobicContact CB-CG 4.32Å; M238-L283 HydrophobicContact CB-CD1 3.94Å; M238-L283 HydrophobicContact CE-CB 4.17Å; M238-L283 HydrophobicContact CE-CD1 3.3Å; M238-L283 HydrophobicContact CE-CG 4.3Å; M238-L283 HydrophobicContact CG-CD1 3.71Å; M238-L283 HydrophobicContact SD-CD1 4.04Å; I280-L283 HydrophobicContact CG2-CD2 4.29Å; L283-V310 CarbonylContact C-O 3.59Å; L283-V310 WeakPolarHBondContact CA-O 3.37Å; L283-L311 HydrophobicContact CB-CD2 3.74Å; L283-F381 VanDerWaalsContact C-CD1 3.49Å
284	S	96.2	Very high	78.6	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	-166.2	176.6	-164.1	0	0	0	0	108.7	M238 V310 Y390	M238-S284 WeakPolarHBondContact CE-O 3.26Å; S284-V310 PolarHBondContact N-O 2.97Å; S284-V310 PolarHBondContact O-N 3.42Å; S284-Y390 WeakPolarHBondContact OG-CE1 3.47Å
285	Y	94.9	Very high	75.8	Confident	22 Å²	22	56.1 Å²	56.1	9%	0.086	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.6	-178.2	64.9	-88	0	0	0	111.8	W231 F232 W306 E308 P385 Y390	W231-Y285 WeakPolarHBondContact O-CE1 3.43Å; F232-Y285 AromaticContact CD1-CD1 3.45Å; F232-Y285 HydrophobicContact CD1-CD1 3.45Å; F232-Y285 VanDerWaalsContact CD1-CD1 3.45Å; F232-Y285 HydrophobicContact CD1-CD2 4.02Å; F232-Y285 AromaticContact CD1-CE1 3.86Å; F232-Y285 HydrophobicContact CD1-CE1 3.86Å; F232-Y285 HydrophobicContact CD1-CE2 4.39Å; F232-Y285 AromaticContact CD1-CG 3.54Å; F232-Y285 HydrophobicContact CD1-CG 3.54Å; F232-Y285 AromaticContact CE1-CD1 3.83Å; F232-Y285 HydrophobicContact CE1-CD1 3.83Å; F232-Y285 AromaticContact CE1-CG 3.78Å; F232-Y285 HydrophobicContact CE1-CG 3.78Å; F232-Y285 HydrophobicContact CG-CD1 4.47Å; F232-Y285 PolarHBondContact O-OH 3.11Å; Y285-W306 HydrophobicContact CD2-CB 3.66Å; Y285-W306 HydrophobicContact CE2-CB 4.42Å; Y285-W306 HydrophobicContact CG-CB 4.1Å; Y285-E308 CarbonylContact C-O 3.53Å; Y285-E308 VanDerWaalsContact CA-O 3.25Å; Y285-E308 WeakPolarHBondContact CA-O 3.35Å; Y285-E308 WeakPolarHBondContact CB-O 3.39Å; Y285-P385 HydrophobicContact CD1-CG 3.99Å; Y285-P385 HydrophobicContact CD2-CB 4Å; Y285-P385 HydrophobicContact CD2-CG 4.29Å; Y285-P385 HydrophobicContact CE1-CB 4.25Å; Y285-P385 HydrophobicContact CE1-CG 3.65Å; Y285-P385 HydrophobicContact CE2-CB 3.61Å; Y285-P385 HydrophobicContact CE2-CG 3.96Å; Y285-P385 HydrophobicContact CG-CB 4.46Å; Y285-P385 HydrophobicContact CG-CG 4.3Å; Y285-P385 WeakPolarHBondContact O-CB 3.4Å; Y285-Y390 PolarHBondContact O-OH 3.16Å
286	T	91.9	Very high	73.2	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.037	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	166.5	58.4	0	0	0	0	109.6	W306 Q307 E308 V310 L349	T286-W306 CarbonylContact O-C 3.47Å; T286-W306 WeakPolarHBondContact O-CA 3.43Å; T286-Q307 PolarHBondContact O-N 2.73Å; T286-E308 PolarHBondContact N-O 2.83Å; T286-E308 VanDerWaalsContact OG1-CB 3.29Å; T286-E308 WeakPolarHBondContact OG1-CB 3.49Å; T286-E308 PolarHBondContact OG1-N 3.49Å; T286-E308 VanDerWaalsContact OG1-N 3.08Å; T286-E308 PolarHBondContact OG1-O 3.15Å; T286-E308 PolarHBondContact OG1-OE2 2.94Å; T286-V310 HydrophobicContact CG2-CG2 3.84Å; T286-L349 HydrophobicContact CG2-CD1 4.34Å
287	P	88.7	Confident	70.9	Confident	29 Å²	29	58.7 Å²	58.7	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.7	179.2	30.1	-34.7	0	0	0	111	Q289 P385	P287-Q289 PolarHBondContact O-N 3.37Å; P287-P385 VanDerWaalsContact CD-O 3.29Å; P287-P385 WeakPolarHBondContact CD-O 3.38Å; P287-P385 WeakPolarHBondContact CG-O 3.49Å
288	S	81.9	Confident	68.5	Low	39 Å²	39	64.6 Å²	64.6	27%	0.273	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-68.7	127	174.3	-177.5	0	0	0	0	110.9	V290 S304 R305	S288-V290 PolarHBondContact O-N 3.28Å; S288-S304 WeakPolarHBondContact CB-O 3.28Å; S288-R305 PolarHBondContact N-O 3.34Å
289	Q	66.9	Low	65.9	Low	168 Å²	168	67.4 Å²	67.4	79%	0.785	42%	0.419	S	S	*	.	S	Bend	trans	-68.7	-11.5	177.1	-61.7	-171.9	12.3	0	0	113.5	P287 T291	P287-Q289 PolarHBondContact O-N 3.37Å; Q289-T291 PolarHBondContact O-N 3.45Å
290	V	53.5	Low	63.1	Low	90 Å²	90	72 Å²	72	55%	0.545	46%	0.456	S	S	.	.			trans	-75.6	79.9	-178.8	-171.7	0	0	0	0	109.5	S288 S292 K303	S288-V290 PolarHBondContact O-N 3.28Å; V290-S292 PolarHBondContact O-N 3.33Å; V290-K303 HydrophobicContact CG1-CD 4.48Å
291	T	45.8	Very low	60.5	Low	120 Å²	120	80.2 Å²	80.2	74%	0.736	50%	0.495	S	S	*	.			trans	-63	120.9	164.8	54.8	0	0	0	0	108.1	Q289 A293	Q289-T291 PolarHBondContact O-N 3.45Å; T291-A293 PolarHBondContact O-N 3.22Å
292	S	37	Very low	58.1	Low	117 Å²	117	86.4 Å²	86.4	82%	0.818	53%	0.525	S	S	*	.	S	Bend	trans	-57.9	101.6	177.4	41.3	0	0	0	0	111.4	V290	V290-S292 PolarHBondContact O-N 3.33Å
293	A	34.6	Very low	56.1	Low	86 Å²	86	93.1 Å²	93.1	71%	0.711	55%	0.554	S	S	*	*			trans	-132.6	7.4	162.9	0	0	0	0	0	113.9	T291 T295	T291-A293 PolarHBondContact O-N 3.22Å; A293-T295 PolarHBondContact O-N 3.32Å
294	T	37.3	Very low	54.4	Low	115 Å²	115	95.2 Å²	95.2	71%	0.706	57%	0.57	S	S	*	*			trans	-96.3	85.9	173.7	35.8	0	0	0	0	111	G296	T294-G296 PolarHBondContact O-N 2.99Å
295	T	35.6	Very low	53.2	Low	144 Å²	144	103.7 Å²	103.7	88%	0.883	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	105.1	161.2	44	0	0	0	0	108.8	A293	A293-T295 PolarHBondContact O-N 3.32Å
296	G	35.7	Very low	52.5	Low	76 Å²	76	104.2 Å²	104.2	78%	0.784	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	166.4	-21.8	167.7	0	0	0	0	0	120.6	T294	T294-G296 PolarHBondContact O-N 2.99Å
297	S	36.1	Very low	52	Low	90 Å²	90	107.9 Å²	107.9	63%	0.629	62%	0.62	S	S	*	*			trans	-97.1	119.4	-178.4	-177.2	0	0	0	0	112.3	S299	S297-S299 PolarHBondContact O-N 3.11Å; S297-S299 PolarHBondContact OG-N 3.23Å; S297-S299 PolarHBondContact OG-OG 3.08Å
298	K	37.2	Very low	52.2	Low	215 Å²	215	107.9 Å²	107.9	94%	0.935	62%	0.618	S	S	*	*	S	Bend	trans	-73	-1.3	174.7	-78.9	-176	174.7	179	0	114	A300	K298-A300 VanDerWaalsContact C-N 3.35Å; K298-A300 PolarHBondContact O-N 3.07Å
299	S	36.4	Very low	52.8	Low	86 Å²	86	106 Å²	106	60%	0.601	61%	0.605	S	S	*	*			trans	-87.8	80.5	166.3	63.2	0	0	0	0	108.7	S297 Q301	S297-S299 PolarHBondContact O-N 3.11Å; S297-S299 PolarHBondContact OG-N 3.23Å; S297-S299 PolarHBondContact OG-OG 3.08Å; S299-Q301 PolarHBondContact O-N 3.34Å
300	A	35	Very low	54.1	Low	96 Å²	96	98 Å²	98	79%	0.793	57%	0.567	S	S	*	*			trans	-69.1	63.2	167.9	0	0	0	0	0	109.7	K298 M302	K298-A300 VanDerWaalsContact C-N 3.35Å; K298-A300 PolarHBondContact O-N 3.07Å; A300-M302 VanDerWaalsContact C-N 3.34Å; A300-M302 PolarHBondContact O-N 3.1Å
301	Q	40.3	Very low	56.2	Low	174 Å²	174	93.8 Å²	93.8	81%	0.813	54%	0.541	S	S	*	.			trans	-65.2	106.7	158.9	-154.8	169.9	7.6	0	0	103.9	S299 K303	S299-Q301 PolarHBondContact O-N 3.34Å; Q301-K303 PolarHBondContact O-N 3.26Å
302	M	43.4	Very low	58.6	Low	130 Å²	130	88 Å²	88	64%	0.64	51%	0.506	S	S	*	.			trans	-49.3	100.6	-171.1	-159.6	164.3	97.9	0	0	108.5	A300 S304	A300-M302 VanDerWaalsContact C-N 3.34Å; A300-M302 PolarHBondContact O-N 3.1Å; M302-S304 PolarHBondContact O-N 2.93Å; M302-S304 VanDerWaalsContact O-N 3.16Å
303	K	52.4	Low	61.4	Low	141 Å²	141	82.5 Å²	82.5	61%	0.613	47%	0.467	S	S	*	.			trans	-63.4	121	-174	-80	-176.3	175.8	-179.5	0	107.6	V290 Q301 R305	V290-K303 HydrophobicContact CG1-CD 4.48Å; Q301-K303 PolarHBondContact O-N 3.26Å; K303-R305 PolarHBondContact O-N 3.33Å
304	S	60.6	Low	64.1	Low	53 Å²	53	78.4 Å²	78.4	37%	0.371	43%	0.434	S	S	.	.			trans	-57.1	129.9	175.3	-173	0	0	0	0	109.7	S288 M302 W306	S288-S304 WeakPolarHBondContact CB-O 3.28Å; M302-S304 PolarHBondContact O-N 2.93Å; M302-S304 VanDerWaalsContact O-N 3.16Å; S304-W306 WeakPolarHBondContact CB-O 3.26Å; S304-W306 VanDerWaalsContact OG-CD2 3.25Å; S304-W306 VanDerWaalsContact OG-CG 3.3Å; S304-W306 PolarHBondContact OG-N 2.97Å; S304-W306 PolarHBondContact OG-NE1 3.13Å; S304-W306 VanDerWaalsContact OG-NE1 3.08Å; S304-W306 PolarHBondContact OG-O 3.15Å
305	R	71.5	Confident	66.6	Low	180 Å²	180	73 Å²	73	68%	0.679	40%	0.401	S	S	*	.	S	Bend	trans	-75.6	-13.4	173.2	-81.4	-161	178.7	-142.2	3.5	112.9	S288 K303	S288-R305 PolarHBondContact N-O 3.34Å; K303-R305 PolarHBondContact O-N 3.33Å
306	W	79.7	Confident	69	Low	33 Å²	33	67.5 Å²	67.5	13%	0.125	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.7	174.1	56.8	-93	0	0	0	110	F232 I247 Y285 T286 S304 I309 A352	F232-W306 HydrophobicContact CD1-CB 3.72Å; F232-W306 AromaticContact CD1-CD1 3.23Å; F232-W306 HydrophobicContact CD1-CD2 4.5Å; F232-W306 AromaticContact CD1-CG 3.55Å; F232-W306 HydrophobicContact CD1-CG 3.55Å; F232-W306 AromaticContact CD2-CD1 3.94Å; F232-W306 HydrophobicContact CE1-CB 3.93Å; F232-W306 AromaticContact CE1-CD1 3.49Å; F232-W306 VanDerWaalsContact CE1-CD1 3.49Å; F232-W306 HydrophobicContact CE1-CD2 4.08Å; F232-W306 AromaticContact CE1-CG 3.56Å; F232-W306 HydrophobicContact CE1-CG 3.56Å; F232-W306 AromaticContact CE1-NE1 3.94Å; F232-W306 AromaticContact CG-CD1 3.45Å; F232-W306 VanDerWaalsContact CG-CD1 3.45Å; F232-W306 HydrophobicContact CG-CG 4.23Å; F232-W306 AromaticContact CZ-CD1 3.97Å; F232-W306 HydrophobicContact CZ-CD2 4.45Å; F232-W306 HydrophobicContact CZ-CG 4.28Å; F232-W306 AromaticContact CZ-NE1 3.94Å; I247-W306 HydrophobicContact CD1-CH2 4.29Å; I247-W306 HydrophobicContact CD1-CZ2 4.11Å; Y285-W306 HydrophobicContact CD2-CB 3.66Å; Y285-W306 HydrophobicContact CE2-CB 4.42Å; Y285-W306 HydrophobicContact CG-CB 4.1Å; T286-W306 CarbonylContact O-C 3.47Å; T286-W306 WeakPolarHBondContact O-CA 3.43Å; S304-W306 WeakPolarHBondContact CB-O 3.26Å; S304-W306 VanDerWaalsContact OG-CD2 3.25Å; S304-W306 VanDerWaalsContact OG-CG 3.3Å; S304-W306 PolarHBondContact OG-N 2.97Å; S304-W306 PolarHBondContact OG-NE1 3.13Å; S304-W306 VanDerWaalsContact OG-NE1 3.08Å; S304-W306 PolarHBondContact OG-O 3.15Å; W306-I309 HydrophobicContact CE3-CG1 4.44Å; W306-I309 HydrophobicContact CZ3-CD1 4.43Å; W306-I309 HydrophobicContact CZ3-CG1 4.43Å; W306-A352 HydrophobicContact CH2-CB 3.6Å; W306-A352 HydrophobicContact CZ3-CB 4.07Å
307	Q	82.9	Confident	71.1	Confident	83 Å²	83	69.5 Å²	69.5	39%	0.388	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-54.4	176.1	-166.8	-178.3	-29.8	0	0	110.1	T286	T286-Q307 PolarHBondContact O-N 2.73Å
308	E	91.5	Very high	72.8	Confident	30 Å²	30	66.1 Å²	66.1	14%	0.14	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.3	-174.8	-51.6	147	157.1	0	0	110.1	Y285 T286 L349 L350 I361	Y285-E308 CarbonylContact C-O 3.53Å; Y285-E308 VanDerWaalsContact CA-O 3.25Å; Y285-E308 WeakPolarHBondContact CA-O 3.35Å; Y285-E308 WeakPolarHBondContact CB-O 3.39Å; T286-E308 PolarHBondContact N-O 2.83Å; T286-E308 VanDerWaalsContact OG1-CB 3.29Å; T286-E308 WeakPolarHBondContact OG1-CB 3.49Å; T286-E308 PolarHBondContact OG1-N 3.49Å; T286-E308 VanDerWaalsContact OG1-N 3.08Å; T286-E308 PolarHBondContact OG1-O 3.15Å; T286-E308 PolarHBondContact OG1-OE2 2.94Å; E308-L349 HydrophobicContact CB-CD1 3.54Å; E308-L349 HydrophobicContact CB-CG 4.02Å; E308-L349 HydrophobicContact CG-CD1 4.35Å; E308-L349 HydrophobicContact CG-CG 4.42Å; E308-L350 WeakPolarHBondContact CA-O 3.43Å; E308-I361 HydrophobicContact CB-CD1 4.31Å; E308-I361 HydrophobicContact CG-CD1 3.6Å
309	I	94.6	Very high	74.6	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.8	177.9	-67.3	162.1	0	0	0	108.7	M238 I247 W273 W306 L311 L349 L350	M238-I309 HydrophobicContact CE-CB 4.4Å; M238-I309 HydrophobicContact CE-CG1 4.11Å; M238-I309 HydrophobicContact CE-CG2 3.62Å; M238-I309 HydrophobicContact SD-CB 4.47Å; M238-I309 HydrophobicContact SD-CD1 3.92Å; M238-I309 HydrophobicContact SD-CG1 4.01Å; M238-I309 HydrophobicContact SD-CG2 3.65Å; I247-I309 HydrophobicContact CD1-CD1 3.48Å; I247-I309 VanDerWaalsContact CD1-CD1 3.48Å; I247-I309 HydrophobicContact CG1-CD1 4.5Å; W273-I309 HydrophobicContact CH2-CD1 3.51Å; W273-I309 HydrophobicContact CZ3-CD1 3.52Å; W306-I309 HydrophobicContact CE3-CG1 4.44Å; W306-I309 HydrophobicContact CZ3-CD1 4.43Å; W306-I309 HydrophobicContact CZ3-CG1 4.43Å; I309-L311 HydrophobicContact CG2-CD2 3.65Å; I309-L311 HydrophobicContact CG2-CG 4.02Å; I309-L349 CarbonylContact O-C 3.58Å; I309-L349 WeakPolarHBondContact O-CA 3.21Å; I309-L350 HydrophobicContact CB-CB 4.31Å; I309-L350 PolarHBondContact N-O 3.46Å; I309-L350 PolarHBondContact O-N 3Å
310	V	96	Very high	76.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.3	179.4	-169.7	0	0	0	0	108.2	F29 L283 S284 T286 V347 L349 F381 Y390 M401	F29-V310 HydrophobicContact CZ-CG1 4.31Å; F29-V310 HydrophobicContact CZ-CG2 4.2Å; L283-V310 CarbonylContact C-O 3.59Å; L283-V310 WeakPolarHBondContact CA-O 3.37Å; S284-V310 PolarHBondContact N-O 2.97Å; S284-V310 PolarHBondContact O-N 3.42Å; T286-V310 HydrophobicContact CG2-CG2 3.84Å; V310-V347 HydrophobicContact CG1-CG1 4.05Å; V310-L349 HydrophobicContact CG2-CD1 3.83Å; V310-F381 HydrophobicContact CB-CE1 4.34Å; V310-F381 HydrophobicContact CB-CZ 4.25Å; V310-F381 HydrophobicContact CG1-CE1 4.17Å; V310-F381 HydrophobicContact CG1-CZ 3.7Å; V310-Y390 HydrophobicContact CG2-CE1 4.27Å; V310-M401 HydrophobicContact CG1-CE 3.53Å
311	L	96.7	Very high	77.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.5	179	-57.2	178.8	0	0	0	110.4	I245 L283 I309 T313 V347 T348 L350	I245-L311 HydrophobicContact CD1-CD1 3.44Å; I245-L311 VanDerWaalsContact CD1-CD1 3.44Å; I245-L311 HydrophobicContact CD1-CD2 4.04Å; I245-L311 HydrophobicContact CD1-CG 4.35Å; L283-L311 HydrophobicContact CB-CD2 3.74Å; I309-L311 HydrophobicContact CG2-CD2 3.65Å; I309-L311 HydrophobicContact CG2-CG 4.02Å; L311-T313 HydrophobicContact CB-CG2 3.78Å; L311-T313 HydrophobicContact CD1-CG2 4.41Å; L311-V347 CarbonylContact O-C 3.57Å; L311-V347 VanDerWaalsContact O-CA 3.26Å; L311-V347 WeakPolarHBondContact O-CA 3.47Å; L311-T348 PolarHBondContact N-O 2.99Å; L311-T348 PolarHBondContact O-N 2.86Å; L311-L350 HydrophobicContact CD1-CD1 3.43Å; L311-L350 VanDerWaalsContact CD1-CD1 3.43Å; L311-L350 HydrophobicContact CD1-CG 4.01Å; L311-L350 HydrophobicContact CG-CD1 4.32Å
312	F	96.6	Very high	78.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121	161.4	-174	-143.9	0	0	0	107.9	T281 G282 P345 R346 V347 M368 Y379 F381 L392	T281-F312 PolarHBondContact N-O 3.44Å; T281-F312 WeakPolarHBondContact OG1-CD1 3.33Å; T281-F312 WeakPolarHBondContact OG1-CG 3.45Å; T281-F312 PolarHBondContact OG1-O 2.92Å; G282-F312 PolarHBondContact N-O 3.48Å; G282-F312 PolarHBondContact O-N 3.35Å; F312-P345 HydrophobicContact CE2-CB 3.5Å; F312-P345 VanDerWaalsContact CE2-CB 3.5Å; F312-P345 HydrophobicContact CZ-CB 3.77Å; F312-R346 WeakPolarHBondContact CD2-O 3.48Å; F312-V347 HydrophobicContact CD2-CG2 4.07Å; F312-M368 HydrophobicContact CE1-SD 4.23Å; F312-M368 HydrophobicContact CE2-SD 4.39Å; F312-M368 HydrophobicContact CZ-SD 3.52Å; F312-M368 VanDerWaalsContact CZ-SD 3.52Å; F312-Y379 AromaticContact CE1-CD1 3.77Å; F312-Y379 HydrophobicContact CE1-CD1 3.77Å; F312-Y379 HydrophobicContact CE1-CG 4.19Å; F312-Y379 AromaticContact CZ-CD1 3.76Å; F312-Y379 HydrophobicContact CZ-CD1 3.76Å; F312-Y379 HydrophobicContact CZ-CE1 4.33Å; F312-Y379 HydrophobicContact CZ-CG 4.45Å; F312-F381 HydrophobicContact CB-CB 3.85Å; F312-F381 HydrophobicContact CB-CD1 4.31Å; F312-F381 HydrophobicContact CB-CD2 4.11Å; F312-F381 HydrophobicContact CB-CG 3.86Å; F312-F381 HydrophobicContact CD1-CB 4.12Å; F312-F381 HydrophobicContact CG-CB 4.45Å; F312-L392 HydrophobicContact CB-CD2 4.35Å; F312-L392 HydrophobicContact CD1-CD2 4.27Å; F312-L392 HydrophobicContact CD2-CD1 4.44Å; F312-L392 HydrophobicContact CD2-CD2 4.15Å; F312-L392 HydrophobicContact CE1-CB 4.21Å; F312-L392 HydrophobicContact CE2-CD1 4.3Å; F312-L392 HydrophobicContact CG-CD2 4.01Å; F312-L392 HydrophobicContact CZ-CB 4.31Å
313	T	94.9	Very high	80	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.7	-170.9	72.4	0	0	0	0	112.4	H278 L279 I280 L311 P345 R346	H278-T313 HydrophobicContact CB-CG2 4.5Å; L279-T313 CarbonylContact O-C 3.57Å; L279-T313 WeakPolarHBondContact O-CA 3.49Å; L279-T313 WeakPolarHBondContact O-CB 3.32Å; I280-T313 HydrophobicContact CG1-CG2 4.42Å; L311-T313 HydrophobicContact CB-CG2 3.78Å; L311-T313 HydrophobicContact CD1-CG2 4.41Å; T313-P345 CarbonylContact O-C 3.57Å; T313-P345 WeakPolarHBondContact O-CA 3.4Å; T313-R346 PolarHBondContact N-O 3.47Å; T313-R346 PolarHBondContact O-N 3.24Å
314	I	92.1	Very high	80.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.8	172.5	60.1	176.8	0	0	0	109.9	H278 L279 T281 M316 Q319 P345 C376 Y379	H278-I314 CarbonylContact C-O 3.58Å; H278-I314 WeakPolarHBondContact CA-O 3.43Å; L279-I314 HydrophobicContact CB-CG1 4.02Å; L279-I314 PolarHBondContact N-O 2.98Å; L279-I314 PolarHBondContact O-N 3.15Å; T281-I314 HydrophobicContact CG2-CB 4.45Å; T281-I314 HydrophobicContact CG2-CD1 3.97Å; T281-I314 HydrophobicContact CG2-CG1 3.9Å; T281-I314 HydrophobicContact CG2-CG2 3.89Å; I314-M316 PolarHBondContact O-N 3.39Å; I314-Q319 VanDerWaalsContact CD1-CD 3.4Å; I314-Q319 HydrophobicContact CD1-CG 3.45Å; I314-Q319 VanDerWaalsContact CD1-CG 3.45Å; I314-Q319 HydrophobicContact CG1-CG 4.1Å; I314-P345 HydrophobicContact CG2-CB 3.96Å; I314-P345 HydrophobicContact CG2-CG 4.04Å; I314-C376 VanDerWaalsContact CD1-CA 3.48Å; I314-C376 HydrophobicContact CD1-CB 3.73Å; I314-Y379 HydrophobicContact CD1-CD2 4.45Å; I314-Y379 HydrophobicContact CD1-CE2 4.46Å; I314-Y379 HydrophobicContact CG2-CD2 4.16Å; I314-Y379 HydrophobicContact CG2-CE2 4.02Å
315	S	89.5	Confident	80.4	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	133.3	176.8	-177.9	0	0	0	0	111.2	R317 N318 S342	S315-R317 PolarHBondContact O-N 2.91Å; S315-R317 PolarHBondContact OG-N 3.3Å; S315-N318 PolarHBondContact O-N 2.91Å; S315-S342 WeakPolarHBondContact CB-O 3.14Å
316	M	86.3	Confident	79.5	Confident	28 Å²	28	46 Å²	46	14%	0.138	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-29.9	171.4	-74.2	-178.1	-172.6	0	0	112.6	W220 N243 P276 E277 H278 L279 I314 N318 Q319 S320	W220-M316 HydrophobicContact CH2-CE 3.58Å; W220-M316 HydrophobicContact CH2-SD 4.06Å; W220-M316 HydrophobicContact CZ2-CE 4.47Å; W220-M316 HydrophobicContact CZ2-SD 4.41Å; W220-M316 HydrophobicContact CZ3-CE 4.22Å; N243-M316 HydrophobicContact CB-CE 3.23Å; P276-M316 VanDerWaalsContact O-SD 3.36Å; E277-M316 PolarHBondContact O-N 3.32Å; H278-M316 WeakPolarHBondContact O-CE 3.43Å; L279-M316 HydrophobicContact CD1-CG 4.22Å; L279-M316 HydrophobicContact CD2-CE 3.95Å; L279-M316 HydrophobicContact CD2-CG 4.23Å; L279-M316 HydrophobicContact CG-CE 4.33Å; L279-M316 HydrophobicContact CG-CG 3.75Å; I314-M316 PolarHBondContact O-N 3.39Å; M316-N318 VanDerWaalsContact C-N 3.25Å; M316-N318 PolarHBondContact O-N 2.79Å; M316-Q319 WeakPolarHBondContact O-CA 3.37Å; M316-Q319 PolarHBondContact O-N 3.49Å; M316-S320 PolarHBondContact O-N 3.31Å
317	R	79.5	Confident	77.6	Confident	117 Å²	117	52.8 Å²	52.8	44%	0.442	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-37.6	-179.6	-61.2	-178.7	-172.6	166.6	6.4	111.6	E277 S315 Q319 S320	E277-R317 IonicContact OE1-CZ 3.53Å; E277-R317 IonicContact OE1-NH2 3.36Å; E277-R317 PolarHBondContact OE1-NH2 3.25Å; E277-R317 IonicContact OE2-NH2 3.8Å; S315-R317 PolarHBondContact O-N 2.91Å; S315-R317 PolarHBondContact OG-N 3.3Å; R317-Q319 VanDerWaalsContact C-N 3.28Å; R317-Q319 PolarHBondContact O-N 3.24Å; R317-S320 PolarHBondContact O-OG 3.24Å
318	N	72.6	Confident	75.8	Confident	19 Å²	19	53.5 Å²	53.5	10%	0.102	27%	0.271	C	S	.	.	H	α-helix	trans	-73.3	-21.1	176	-167.7	9.3	0	0	0	112.2	S315 M316 Y371 A372	S315-N318 PolarHBondContact O-N 2.91Å; M316-N318 VanDerWaalsContact C-N 3.25Å; M316-N318 PolarHBondContact O-N 2.79Å; N318-Y371 PolarHBondContact ND2-O 3.23Å; N318-A372 PolarHBondContact OD1-O 3.48Å
319	Q	74.7	Confident	73.2	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-98.3	-4.6	-174	-63.2	-63.7	-57.8	0	0	114.6	L279 I314 M316 R317 K321 F322 L323 L374 G375	L279-Q319 HydrophobicContact CD1-CB 3.75Å; L279-Q319 HydrophobicContact CD1-CG 3.79Å; I314-Q319 VanDerWaalsContact CD1-CD 3.4Å; I314-Q319 HydrophobicContact CD1-CG 3.45Å; I314-Q319 VanDerWaalsContact CD1-CG 3.45Å; I314-Q319 HydrophobicContact CG1-CG 4.1Å; M316-Q319 WeakPolarHBondContact O-CA 3.37Å; M316-Q319 PolarHBondContact O-N 3.49Å; R317-Q319 VanDerWaalsContact C-N 3.28Å; R317-Q319 PolarHBondContact O-N 3.24Å; Q319-K321 PolarHBondContact O-N 2.9Å; Q319-F322 PolarHBondContact O-N 3.27Å; Q319-L323 HydrophobicContact CB-CD1 3.88Å; Q319-L323 HydrophobicContact CB-CG 4.09Å; Q319-L323 WeakPolarHBondContact O-CG 2.83Å; Q319-L323 PolarHBondContact O-N 3.38Å; Q319-L323 VanDerWaalsContact O-N 3.13Å; Q319-L374 PolarHBondContact NE2-O 3.43Å; Q319-G375 VanDerWaalsContact OE1-CA 3.29Å
320	S	67.2	Low	70.7	Confident	52 Å²	52	66.2 Å²	66.2	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-45.4	-39	178.5	-40.8	0	0	0	0	113.8	M316 R317 F322	M316-S320 PolarHBondContact O-N 3.31Å; R317-S320 PolarHBondContact O-OG 3.24Å; S320-F322 VanDerWaalsContact C-N 3.27Å; S320-F322 PolarHBondContact O-N 2.89Å
321	K	68.1	Low	68	Low	156 Å²	156	75.4 Å²	75.4	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-68.4	-21.8	-179.3	-60.1	-178.9	-179.3	170.1	0	113.8	Q319 L330	Q319-K321 PolarHBondContact O-N 2.9Å; K321-L330 HydrophobicContact CB-CD1 4.48Å; K321-L330 HydrophobicContact CG-CD1 3.81Å; K321-L330 HydrophobicContact CG-CD2 3.83Å; K321-L330 HydrophobicContact CG-CG 4.5Å
322	F	65.4	Low	65.2	Low	68 Å²	68	83 Å²	83	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-104.1	-28	-176.1	-60.1	-75.7	0	0	0	112.9	L224 Q319 S320	L224-F322 HydrophobicContact CD1-CB 4.34Å; Q319-F322 PolarHBondContact O-N 3.27Å; S320-F322 VanDerWaalsContact C-N 3.27Å; S320-F322 PolarHBondContact O-N 2.89Å
323	L	66.6	Low	62.6	Low	8 Å²	8	93.4 Å²	93.4	4%	0.042	45%	0.453	C	S	.	.	H	α-helix	trans	-74.8	-41.4	-167.6	-74.6	168.1	0	0	0	114.3	W220 R221 L225 L279 Q319	W220-L323 WeakPolarHBondContact CA-O 3.39Å; W220-L323 HydrophobicContact CB-CD2 4.35Å; W220-L323 HydrophobicContact CD2-CD2 4.16Å; W220-L323 HydrophobicContact CE3-CD2 4.43Å; W220-L323 HydrophobicContact CG-CD2 4.13Å; R221-L323 PolarHBondContact N-O 3.27Å; L225-L323 HydrophobicContact CD1-CD2 3.61Å; L225-L323 HydrophobicContact CD2-CD2 3.94Å; L225-L323 HydrophobicContact CG-CD2 4.16Å; L279-L323 HydrophobicContact CD1-CD1 4.18Å; L279-L323 HydrophobicContact CD1-CD2 4.04Å; Q319-L323 HydrophobicContact CB-CD1 3.88Å; Q319-L323 HydrophobicContact CB-CG 4.09Å; Q319-L323 WeakPolarHBondContact O-CG 2.83Å; Q319-L323 PolarHBondContact O-N 3.38Å; Q319-L323 VanDerWaalsContact O-N 3.13Å
324	Y	65.4	Low	59.9	Low	124 Å²	124	101.8 Å²	101.8	49%	0.486	49%	0.492	S	S	.	.			trans	-93.7	141.3	-172.1	-62.5	-79.2	0	0	0	112
325	V	57.3	Low	57.5	Low	112 Å²	112	106 Å²	106	68%	0.679	53%	0.528	S	S	*	.	S	Bend	trans	-72.4	-34.2	178.2	-178.9	0	0	0	0	111.4	R221	R221-V325 HydrophobicContact CG-CG2 3.93Å
326	D	51.1	Low	55.2	Low	130 Å²	130	111.2 Å²	111.2	70%	0.695	56%	0.559	S	S	*	*	S	Bend	trans	-88.3	132.7	-176.1	-81.9	-26	0	0	0	112.4	C328	D326-C328 PolarHBondContact O-N 3.37Å
327	N	41.6	Very low	53.2	Low	176 Å²	176	117 Å²	117	94%	0.941	59%	0.591	S	S	*	*			trans	-60	69.3	170.2	-107.8	-8.6	0	0	0	110.7	E329	N327-E329 PolarHBondContact O-N 3.24Å
328	C	43.2	Very low	51.6	Low	98 Å²	98	118 Å²	118	66%	0.662	61%	0.605	S	S	*	*			trans	-80.1	106.5	169.9	-75.7	0	0	0	0	108.1	D326 L330	D326-C328 PolarHBondContact O-N 3.37Å; C328-L330 PolarHBondContact O-N 3.48Å
329	E	37.8	Very low	50.6	Low	190 Å²	190	122.9 Å²	122.9	89%	0.888	63%	0.63	S	S	*	*			trans	-7.6	84.9	156.1	-60.1	-178.8	166.1	0	0	113.4	N327 K331	N327-E329 PolarHBondContact O-N 3.24Å; E329-K331 VanDerWaalsContact C-N 3.28Å; E329-K331 PolarHBondContact O-N 3.1Å
330	L	42	Very low	49.8	Very low	107 Å²	107	126.8 Å²	126.8	56%	0.56	65%	0.65	S	S	*	*			trans	-68.7	97.2	168.4	-83	132.8	0	0	0	106	K321 C328 N332	K321-L330 HydrophobicContact CB-CD1 4.48Å; K321-L330 HydrophobicContact CG-CD1 3.81Å; K321-L330 HydrophobicContact CG-CD2 3.83Å; K321-L330 HydrophobicContact CG-CG 4.5Å; C328-L330 PolarHBondContact O-N 3.48Å; L330-N332 PolarHBondContact O-N 3.49Å
331	K	39.3	Very low	49.5	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	66%	0.656	S	S	*	*			trans	-44.3	114.5	159.5	-74.9	-179.8	176.8	178	0	106.1	E329 R333	E329-K331 VanDerWaalsContact C-N 3.28Å; E329-K331 PolarHBondContact O-N 3.1Å; K331-R333 VanDerWaalsContact C-N 3.27Å; K331-R333 PolarHBondContact O-N 3.41Å
332	N	38.4	Very low	49.3	Very low	159 Å²	159	123 Å²	123	85%	0.85	63%	0.633	S	S	*	*			trans	-50.8	98.6	170.7	-79.1	-25.4	0	0	0	106.7	L330 E334	L330-N332 PolarHBondContact O-N 3.49Å; N332-E334 VanDerWaalsContact C-N 3.34Å; N332-E334 PolarHBondContact O-N 3.18Å
333	R	41.1	Very low	49.6	Very low	219 Å²	219	122.7 Å²	122.7	83%	0.826	63%	0.632	S	S	*	*			trans	-66.7	108.4	160.8	-91.5	-178.8	168.5	169.6	-3.7	103.9	K331 A335	K331-R333 VanDerWaalsContact C-N 3.27Å; K331-R333 PolarHBondContact O-N 3.41Å; R333-A335 PolarHBondContact O-N 2.88Å
334	E	38.9	Very low	50.5	Low	176 Å²	176	122.3 Å²	122.3	82%	0.822	63%	0.63	S	S	*	*			trans	-46.5	126.6	165.5	-67.3	177.9	161.3	0	0	106.7	N332 V336	N332-E334 VanDerWaalsContact C-N 3.34Å; N332-E334 PolarHBondContact O-N 3.18Å; E334-V336 PolarHBondContact O-N 2.98Å
335	A	41.2	Very low	51.9	Low	90 Å²	90	116.4 Å²	116.4	74%	0.744	61%	0.607	S	S	*	*			trans	-60.8	92.4	177.4	0	0	0	0	0	107.5	R333 D337	R333-A335 PolarHBondContact O-N 2.88Å; A335-D337 PolarHBondContact O-N 3.11Å
336	V	41.2	Very low	53.6	Low	112 Å²	112	112.6 Å²	112.6	68%	0.679	58%	0.58	S	S	*	*			trans	-68.6	110.7	161.2	-174.3	0	0	0	0	103.5	E334 D338	E334-V336 PolarHBondContact O-N 2.98Å; V336-D338 HydrophobicContact CG1-CB 4.06Å; V336-D338 CarbonylContact O-C 3.5Å; V336-D338 PolarHBondContact O-N 3.36Å
337	D	45.7	Very low	55.7	Low	149 Å²	149	106.4 Å²	106.4	80%	0.797	55%	0.547	S	S	*	.	S	Bend	trans	-62.3	1.3	-180	-87.2	-30.7	0	0	0	113.5	A335 I339	A335-D337 PolarHBondContact O-N 3.11Å; D337-I339 PolarHBondContact O-N 3.22Å
338	D	45.1	Very low	58.2	Low	137 Å²	137	98.1 Å²	98.1	73%	0.733	50%	0.503	S	S	*	.	S	Bend	trans	-68.1	90.3	158.6	-85.3	-26.2	0	0	0	107.9	V336 D340	V336-D338 HydrophobicContact CG1-CB 4.06Å; V336-D338 CarbonylContact O-C 3.5Å; V336-D338 PolarHBondContact O-N 3.36Å; D338-D340 PolarHBondContact O-N 3.22Å
339	I	50.4	Low	60.6	Low	123 Å²	123	93.5 Å²	93.5	63%	0.631	47%	0.472	S	S	*	.			trans	-51.3	93	167.7	-62.3	163.4	0	0	0	107.1	D337 Q341 Y371	D337-I339 PolarHBondContact O-N 3.22Å; I339-Q341 PolarHBondContact O-N 3.35Å; I339-Y371 WeakPolarHBondContact CG2-OH 3.42Å
340	D	58.7	Low	63.3	Low	84 Å²	84	84.5 Å²	84.5	45%	0.449	43%	0.43	S	S	.	.			trans	-66.6	107.1	-177.6	-172.9	-1.1	0	0	0	107.2	D338 S342 E343	D338-D340 PolarHBondContact O-N 3.22Å; D340-S342 PolarHBondContact O-N 3.26Å; D340-S342 WeakPolarHBondContact OD1-CB 3.45Å; D340-S342 PolarHBondContact OD1-N 2.94Å; D340-S342 WeakPolarHBondContact OD2-CB 3.49Å; D340-E343 HydrophobicContact CB-CG 4.48Å; D340-E343 PolarHBondContact O-N 3.48Å
341	Q	60.6	Low	65.7	Low	103 Å²	103	84.3 Å²	84.3	48%	0.481	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-57.7	-16.6	177.3	-60.2	-173.1	15.8	0	0	111.5	I339 E343 C344 I365	I339-Q341 PolarHBondContact O-N 3.35Å; Q341-E343 PolarHBondContact O-N 3.36Å; Q341-C344 PolarHBondContact O-N 3.48Å; Q341-I365 HydrophobicContact CB-CD1 4.03Å
342	S	63.9	Low	68.2	Low	27 Å²	27	76.2 Å²	76.2	19%	0.189	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-57.8	-22.7	170.3	-170.6	0	0	0	0	113.8	S315 D340	S315-S342 WeakPolarHBondContact CB-O 3.14Å; D340-S342 PolarHBondContact O-N 3.26Å; D340-S342 WeakPolarHBondContact OD1-CB 3.45Å; D340-S342 PolarHBondContact OD1-N 2.94Å; D340-S342 WeakPolarHBondContact OD2-CB 3.49Å
343	E	72.7	Confident	70.7	Confident	60 Å²	60	73.6 Å²	73.6	28%	0.28	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-94.2	-11.3	-175.8	-61.6	-167.8	161.5	0	0	114.4	D340 Q341	D340-E343 HydrophobicContact CB-CG 4.48Å; D340-E343 PolarHBondContact O-N 3.48Å; Q341-E343 PolarHBondContact O-N 3.36Å
344	C	86	Confident	73.1	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-67.7	148.3	178.2	-75	0	0	0	0	111.8	Q341 I365 Y371	Q341-C344 PolarHBondContact O-N 3.48Å; C344-I365 HydrophobicContact CB-CG2 3.35Å; C344-Y371 HydrophobicContact CB-CE2 4.48Å; C344-Y371 VanDerWaalsContact SG-CZ 3.59Å
345	P	92.8	Very high	75.6	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.333	C	S	.	.			trans	-54.2	149.3	165.9	-23.5	32.4	0	0	0	111.8	F312 T313 I314 I366 M368 Y379	F312-P345 HydrophobicContact CE2-CB 3.5Å; F312-P345 VanDerWaalsContact CE2-CB 3.5Å; F312-P345 HydrophobicContact CZ-CB 3.77Å; T313-P345 CarbonylContact O-C 3.57Å; T313-P345 WeakPolarHBondContact O-CA 3.4Å; I314-P345 HydrophobicContact CG2-CB 3.96Å; I314-P345 HydrophobicContact CG2-CG 4.04Å; P345-I366 WeakPolarHBondContact CD-O 3.46Å; P345-I366 WeakPolarHBondContact O-CA 3.23Å; P345-I366 PolarHBondContact O-N 2.92Å; P345-M368 HydrophobicContact CG-CG 4.49Å; P345-Y379 HydrophobicContact CB-CE1 4.5Å; P345-Y379 HydrophobicContact CG-CE1 3.76Å
346	R	93.9	Very high	78	Confident	32 Å²	32	63.2 Å²	63.2	12%	0.121	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.1	-173	-75.9	162.9	172.3	-108.8	-9.4	110.9	F312 T313 E363 D364 I365	F312-R346 WeakPolarHBondContact CD2-O 3.48Å; T313-R346 PolarHBondContact N-O 3.47Å; T313-R346 PolarHBondContact O-N 3.24Å; R346-E363 WeakPolarHBondContact CD-OE1 3.28Å; R346-E363 IonicContact CZ-OE1 3.87Å; R346-E363 IonicContact CZ-OE2 3.19Å; R346-E363 IonicContact NH1-OE1 3.24Å; R346-E363 PolarHBondContact NH1-OE1 3.29Å; R346-E363 IonicContact NH1-OE2 3.8Å; R346-E363 PolarHBondContact NH1-OE2 2.97Å; R346-D364 CarbonylContact C-O 3.25Å; R346-D364 VanDerWaalsContact CA-O 3.29Å; R346-D364 WeakPolarHBondContact CA-O 3.43Å; R346-I365 HydrophobicContact CG-CG1 4.39Å
347	V	95.5	Very high	80.4	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.2	163.4	170.7	0	0	0	0	107.8	F29 Y31 V310 L311 F312 E363 D364 I366 L392 M401	F29-V347 HydrophobicContact CD2-CG1 4.37Å; F29-V347 HydrophobicContact CE2-CG1 4.38Å; Y31-V347 HydrophobicContact CE1-CG2 4.27Å; V310-V347 HydrophobicContact CG1-CG1 4.05Å; L311-V347 CarbonylContact O-C 3.57Å; L311-V347 VanDerWaalsContact O-CA 3.26Å; L311-V347 WeakPolarHBondContact O-CA 3.47Å; F312-V347 HydrophobicContact CD2-CG2 4.07Å; V347-E363 WeakPolarHBondContact O-CA 3.47Å; V347-D364 HydrophobicContact CB-CB 4.5Å; V347-D364 PolarHBondContact N-O 3.45Å; V347-D364 PolarHBondContact O-N 3Å; V347-I366 HydrophobicContact CB-CG1 4.44Å; V347-I366 HydrophobicContact CG2-CD1 4.21Å; V347-I366 HydrophobicContact CG2-CG1 3.86Å; V347-L392 HydrophobicContact CG2-CD1 3.73Å; V347-L392 HydrophobicContact CG2-CD2 3.96Å; V347-M401 HydrophobicContact CB-SD 4.25Å; V347-M401 HydrophobicContact CG1-CE 4.15Å; V347-M401 HydrophobicContact CG1-SD 3.64Å; V347-M401 HydrophobicContact CG2-SD 3.85Å
348	T	94.5	Very high	82.7	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.4	-178.2	-44.4	0	0	0	0	109.3	L311 L350 T360 E363	L311-T348 PolarHBondContact N-O 2.99Å; L311-T348 PolarHBondContact O-N 2.86Å; T348-L350 HydrophobicContact CG2-CD2 3.58Å; T348-L350 HydrophobicContact CG2-CG 4.32Å; T348-T360 HydrophobicContact CG2-CG2 3.62Å; T348-E363 HydrophobicContact CG2-CG 4.46Å
349	L	93.9	Very high	85.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.1	174.5	-169.9	63.1	0	0	0	109	K28 F29 T286 E308 I309 V310 I361 S362	K28-L349 HydrophobicContact CG-CD2 4.4Å; F29-L349 HydrophobicContact CE2-CB 4.24Å; F29-L349 HydrophobicContact CE2-CD1 4.2Å; F29-L349 HydrophobicContact CE2-CD2 4.2Å; F29-L349 HydrophobicContact CE2-CG 4.47Å; F29-L349 HydrophobicContact CZ-CD1 3.95Å; F29-L349 HydrophobicContact CZ-CD2 4.38Å; T286-L349 HydrophobicContact CG2-CD1 4.34Å; E308-L349 HydrophobicContact CB-CD1 3.54Å; E308-L349 HydrophobicContact CB-CG 4.02Å; E308-L349 HydrophobicContact CG-CD1 4.35Å; E308-L349 HydrophobicContact CG-CG 4.42Å; I309-L349 CarbonylContact O-C 3.58Å; I309-L349 WeakPolarHBondContact O-CA 3.21Å; V310-L349 HydrophobicContact CG2-CD1 3.83Å; L349-I361 HydrophobicContact CB-CB 4.35Å; L349-I361 HydrophobicContact CD2-CB 4.15Å; L349-I361 HydrophobicContact CD2-CD1 4.37Å; L349-I361 HydrophobicContact CD2-CG2 4.03Å; L349-I361 HydrophobicContact CG-CB 4.22Å; L349-I361 HydrophobicContact CG-CD1 4.2Å; L349-I361 PolarHBondContact O-N 3.4Å; L349-S362 PolarHBondContact N-O 3.34Å
350	L	94.3	Very high	87	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143	-177.2	-56.6	-172.4	0	0	0	112.3	I245 M275 E308 I309 L311 T348 Y358 A359 T360	I245-L350 HydrophobicContact CD1-CD1 4.01Å; M275-L350 HydrophobicContact SD-CD1 4.23Å; E308-L350 WeakPolarHBondContact CA-O 3.43Å; I309-L350 HydrophobicContact CB-CB 4.31Å; I309-L350 PolarHBondContact N-O 3.46Å; I309-L350 PolarHBondContact O-N 3Å; L311-L350 HydrophobicContact CD1-CD1 3.43Å; L311-L350 VanDerWaalsContact CD1-CD1 3.43Å; L311-L350 HydrophobicContact CD1-CG 4.01Å; L311-L350 HydrophobicContact CG-CD1 4.32Å; T348-L350 HydrophobicContact CG2-CD2 3.58Å; T348-L350 HydrophobicContact CG2-CG 4.32Å; L350-Y358 HydrophobicContact CD1-CD2 3.94Å; L350-Y358 HydrophobicContact CD1-CE2 4.28Å; L350-Y358 HydrophobicContact CD1-CG 4.33Å; L350-Y358 HydrophobicContact CD2-CD2 3.78Å; L350-Y358 HydrophobicContact CD2-CE2 4.01Å; L350-Y358 HydrophobicContact CG-CD2 4.36Å; L350-A359 CarbonylContact C-O 3.57Å; L350-A359 VanDerWaalsContact CA-O 3.29Å; L350-A359 WeakPolarHBondContact CA-O 3.28Å; L350-T360 HydrophobicContact CD2-CG2 4.31Å; L350-T360 WeakPolarHBondContact CD2-OG1 3.28Å
351	E	92.6	Very high	88.5	Confident	104 Å²	104	50.9 Å²	50.9	49%	0.486	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.1	165.5	-172.7	173.4	-166.3	0	0	109.8	Y358 A359 I361	E351-Y358 CarbonylContact O-C 3.6Å; E351-Y358 WeakPolarHBondContact O-CA 3.25Å; E351-Y358 WeakPolarHBondContact O-CB 3.48Å; E351-A359 PolarHBondContact N-O 3.13Å; E351-A359 PolarHBondContact O-N 3.47Å; E351-I361 HydrophobicContact CB-CD1 3.77Å; E351-I361 HydrophobicContact CB-CG1 4.13Å
352	A	90.9	Very high	89.9	Confident	22 Å²	22	46.9 Å²	46.9	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.8	174	0	0	0	0	0	110.2	W273 W306	W273-A352 HydrophobicContact CH2-CB 3.64Å; W273-A352 HydrophobicContact CZ2-CB 3.54Å; W306-A352 HydrophobicContact CH2-CB 3.6Å; W306-A352 HydrophobicContact CZ3-CB 4.07Å
353	I	90.1	Very high	91.2	Very high	103 Å²	103	49.5 Å²	49.5	53%	0.528	25%	0.252	S	S	.	.			trans	-93.9	-53.2	178.6	-61.9	174.9	0	0	0	110.2	E357 A359	I353-E357 HydrophobicContact CB-CB 4.27Å; I353-E357 PolarHBondContact N-O 3.16Å; I353-A359 HydrophobicContact CD1-CB 3.72Å; I353-A359 HydrophobicContact CG1-CB 4.29Å
354	S	91.4	Very high	92.2	Very high	39 Å²	39	48.2 Å²	48.2	27%	0.273	25%	0.246	S	C	.	.	S	Bend	trans	-142	-174.4	-176	78.8	0	0	0	0	110.9	H271 W273 Q356 E357	H271-S354 PolarHBondContact ND1-O 3.46Å; W273-S354 PolarHBondContact NE1-O 2.68Å; S354-Q356 PolarHBondContact O-N 3.01Å; S354-E357 PolarHBondContact N-O 3.24Å; S354-E357 VanDerWaalsContact N-O 3.08Å; S354-E357 VanDerWaalsContact OG-CB 3.26Å; S354-E357 WeakPolarHBondContact OG-CB 3.43Å; S354-E357 WeakPolarHBondContact OG-CG 3.39Å; S354-E357 PolarHBondContact OG-N 3.25Å; S354-E357 PolarHBondContact OG-OE2 3.41Å
355	F	92	Very high	92.5	Very high	92 Å²	92	51.1 Å²	51.1	40%	0.404	26%	0.261	S	S	.	.	S	Bend	trans	-55.9	-36.5	178	177.7	-99	0	0	0	112	I269 R270 H271 M272 W273	I269-F355 HydrophobicContact CG2-CE2 3.99Å; I269-F355 HydrophobicContact CG2-CZ 4.3Å; R270-F355 VanDerWaalsContact O-CD2 3.25Å; R270-F355 WeakPolarHBondContact O-CD2 3.3Å; H271-F355 CarbonylContact C-O 3.6Å; H271-F355 WeakPolarHBondContact CA-O 3.31Å; M272-F355 HydrophobicContact CB-CE1 4.46Å; M272-F355 HydrophobicContact CB-CZ 4.2Å; M272-F355 PolarHBondContact N-O 2.72Å; W273-F355 PolarHBondContact NE1-O 2.87Å
356	Q	92	Very high	92.5	Very high	136 Å²	136	51.5 Å²	51.5	64%	0.636	26%	0.263	S	S	*	.	S	Bend	trans	-122.7	3	-174.1	-93.3	169.3	-4.6	0	0	114.6	M272 S354	M272-Q356 WeakPolarHBondContact O-CA 3.39Å; S354-Q356 PolarHBondContact O-N 3.01Å
357	E	92.2	Very high	92.2	Very high	115 Å²	115	55.9 Å²	55.9	54%	0.537	28%	0.283	S	S	.	.			trans	-123.3	144.1	-179.2	-58.8	162.3	158.1	0	0	111.3	W273 I353 S354	W273-E357 PolarHBondContact NE1-O 3.41Å; I353-E357 HydrophobicContact CB-CB 4.27Å; I353-E357 PolarHBondContact N-O 3.16Å; S354-E357 PolarHBondContact N-O 3.24Å; S354-E357 VanDerWaalsContact N-O 3.08Å; S354-E357 VanDerWaalsContact OG-CB 3.26Å; S354-E357 WeakPolarHBondContact OG-CB 3.43Å; S354-E357 WeakPolarHBondContact OG-CG 3.39Å; S354-E357 PolarHBondContact OG-N 3.25Å; S354-E357 PolarHBondContact OG-OE2 3.41Å
358	Y	94	Very high	92	Very high	62 Å²	62	56.1 Å²	56.1	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.9	174.5	65.7	-91.3	0	0	0	109.5	W273 M275 L350 E351	W273-Y358 HydrophobicContact CB-CD1 3.63Å; W273-Y358 HydrophobicContact CB-CE1 3.9Å; W273-Y358 AromaticContact CD2-CD1 3.97Å; W273-Y358 HydrophobicContact CD2-CD1 3.97Å; W273-Y358 HydrophobicContact CD2-CG 4.39Å; W273-Y358 HydrophobicContact CE3-CD1 4.33Å; W273-Y358 AromaticContact CG-CD1 3.64Å; W273-Y358 HydrophobicContact CG-CD1 3.64Å; W273-Y358 HydrophobicContact CG-CE1 4.41Å; W273-Y358 HydrophobicContact CG-CG 4.48Å; M275-Y358 HydrophobicContact SD-CE1 4.07Å; M275-Y358 HydrophobicContact SD-CE2 3.94Å; M275-Y358 PolarHBondContact SD-OH 3.04Å; L350-Y358 HydrophobicContact CD1-CD2 3.94Å; L350-Y358 HydrophobicContact CD1-CE2 4.28Å; L350-Y358 HydrophobicContact CD1-CG 4.33Å; L350-Y358 HydrophobicContact CD2-CD2 3.78Å; L350-Y358 HydrophobicContact CD2-CE2 4.01Å; L350-Y358 HydrophobicContact CG-CD2 4.36Å; E351-Y358 CarbonylContact O-C 3.6Å; E351-Y358 WeakPolarHBondContact O-CA 3.25Å; E351-Y358 WeakPolarHBondContact O-CB 3.48Å
359	A	93.9	Very high	91.7	Very high	34 Å²	34	61 Å²	61	28%	0.281	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.8	167.4	0	0	0	0	0	110.5	L350 E351 I353	L350-A359 CarbonylContact C-O 3.57Å; L350-A359 VanDerWaalsContact CA-O 3.29Å; L350-A359 WeakPolarHBondContact CA-O 3.28Å; E351-A359 PolarHBondContact N-O 3.13Å; E351-A359 PolarHBondContact O-N 3.47Å; I353-A359 HydrophobicContact CD1-CB 3.72Å; I353-A359 HydrophobicContact CG1-CB 4.29Å
360	T	91.9	Very high	91.2	Very high	73 Å²	73	63 Å²	63	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.2	169.2	-59.2	0	0	0	0	109.1	T348 L350 E363	T348-T360 HydrophobicContact CG2-CG2 3.62Å; L350-T360 HydrophobicContact CD2-CG2 4.31Å; L350-T360 WeakPolarHBondContact CD2-OG1 3.28Å; T360-E363 HydrophobicContact CG2-CB 4.35Å
361	I	89.9	Confident	90.6	Very high	62 Å²	62	65 Å²	65	32%	0.318	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-44.1	179.2	-63.6	162	0	0	0	110.7	E308 L349 E351	E308-I361 HydrophobicContact CB-CD1 4.31Å; E308-I361 HydrophobicContact CG-CD1 3.6Å; L349-I361 HydrophobicContact CB-CB 4.35Å; L349-I361 HydrophobicContact CD2-CB 4.15Å; L349-I361 HydrophobicContact CD2-CD1 4.37Å; L349-I361 HydrophobicContact CD2-CG2 4.03Å; L349-I361 HydrophobicContact CG-CB 4.22Å; L349-I361 HydrophobicContact CG-CD1 4.2Å; L349-I361 PolarHBondContact O-N 3.4Å; E351-I361 HydrophobicContact CB-CD1 3.77Å; E351-I361 HydrophobicContact CB-CG1 4.13Å
362	S	90.5	Very high	89.9	Confident	20 Å²	20	63 Å²	63	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147	-175.9	-168.8	0	0	0	0	109.5	L349	L349-S362 PolarHBondContact N-O 3.34Å
363	E	90.9	Very high	89.6	Confident	82 Å²	82	66 Å²	66	38%	0.383	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	119.2	176.3	-168	179.1	-149.9	0	0	110.2	R346 V347 T348 T360	R346-E363 WeakPolarHBondContact CD-OE1 3.28Å; R346-E363 IonicContact CZ-OE1 3.87Å; R346-E363 IonicContact CZ-OE2 3.19Å; R346-E363 IonicContact NH1-OE1 3.24Å; R346-E363 PolarHBondContact NH1-OE1 3.29Å; R346-E363 IonicContact NH1-OE2 3.8Å; R346-E363 PolarHBondContact NH1-OE2 2.97Å; V347-E363 WeakPolarHBondContact O-CA 3.47Å; T348-E363 HydrophobicContact CG2-CG 4.46Å; T360-E363 HydrophobicContact CG2-CB 4.35Å
364	D	92.1	Very high	89.5	Confident	32 Å²	32	61.6 Å²	61.6	17%	0.171	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.1	-175.3	-68.9	-47.2	0	0	0	110.2	Y31 R346 V347 I366	Y31-D364 HydrophobicContact CE2-CB 3.99Å; Y31-D364 VanDerWaalsContact OH-CB 3.22Å; Y31-D364 WeakPolarHBondContact OH-CB 3.27Å; Y31-D364 PolarHBondContact OH-OD2 3.25Å; R346-D364 CarbonylContact C-O 3.25Å; R346-D364 VanDerWaalsContact CA-O 3.29Å; R346-D364 WeakPolarHBondContact CA-O 3.43Å; V347-D364 HydrophobicContact CB-CB 4.5Å; V347-D364 PolarHBondContact N-O 3.45Å; V347-D364 PolarHBondContact O-N 3Å; D364-I366 HydrophobicContact CB-CD1 4.2Å
365	I	92.3	Very high	89.2	Confident	61 Å²	61	59.7 Å²	59.7	31%	0.313	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121	178	-58.3	178.1	0	0	0	109.9	Q341 C344 R346	Q341-I365 HydrophobicContact CB-CD1 4.03Å; C344-I365 HydrophobicContact CB-CG2 3.35Å; R346-I365 HydrophobicContact CG-CG1 4.39Å
366	I	92.9	Very high	89.1	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.046	30%	0.301	C	S	.	.			trans	-106.9	104.4	-175.4	-47.8	-54.7	0	0	0	110.8	Y31 P345 V347 D364 M368 L392 I399	Y31-I366 HydrophobicContact CD1-CD1 3.82Å; Y31-I366 HydrophobicContact CD2-CD1 4.4Å; Y31-I366 HydrophobicContact CE1-CD1 3.36Å; Y31-I366 HydrophobicContact CE1-CG1 4.42Å; Y31-I366 HydrophobicContact CE2-CD1 4.03Å; Y31-I366 HydrophobicContact CG-CD1 4.31Å; P345-I366 WeakPolarHBondContact CD-O 3.46Å; P345-I366 WeakPolarHBondContact O-CA 3.23Å; P345-I366 PolarHBondContact O-N 2.92Å; V347-I366 HydrophobicContact CB-CG1 4.44Å; V347-I366 HydrophobicContact CG2-CD1 4.21Å; V347-I366 HydrophobicContact CG2-CG1 3.86Å; D364-I366 HydrophobicContact CB-CD1 4.2Å; I366-M368 HydrophobicContact CG2-CG 3.69Å; I366-M368 PolarHBondContact O-N 2.85Å; I366-L392 HydrophobicContact CB-CD1 4.4Å; I366-L392 HydrophobicContact CD1-CD1 4.35Å; I366-L392 HydrophobicContact CG1-CD1 3.9Å; I366-L392 HydrophobicContact CG2-CD1 3.82Å; I366-I399 HydrophobicContact CG2-CD1 3.58Å
367	K	89.3	Confident	89.1	Confident	124 Å²	124	52.1 Å²	52.1	54%	0.539	29%	0.286	S	S	.	.			trans	-76.8	87.5	173.8	-65.2	-177.8	-179.3	179.9	0	110.8	R33	R33-K367 PolarHBondContact NH2-O 3.45Å
368	M	90.1	Very high	89.1	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.025	27%	0.272	C	S	.	.			trans	-85.8	151.9	173.6	-59.6	-163.2	81.3	0	0	112	F312 P345 I366 G370 Y371 Y379 L392 D397 I399	F312-M368 HydrophobicContact CE1-SD 4.23Å; F312-M368 HydrophobicContact CE2-SD 4.39Å; F312-M368 HydrophobicContact CZ-SD 3.52Å; F312-M368 VanDerWaalsContact CZ-SD 3.52Å; P345-M368 HydrophobicContact CG-CG 4.49Å; I366-M368 HydrophobicContact CG2-CG 3.69Å; I366-M368 PolarHBondContact O-N 2.85Å; M368-G370 PolarHBondContact O-N 3.17Å; M368-Y371 VanDerWaalsContact O-CD1 3.22Å; M368-Y371 WeakPolarHBondContact O-CD1 3.4Å; M368-Y379 HydrophobicContact SD-CD1 3.95Å; M368-Y379 HydrophobicContact SD-CE1 3.81Å; M368-L392 HydrophobicContact CE-CB 4.27Å; M368-L392 HydrophobicContact SD-CB 4.49Å; M368-D397 HydrophobicContact CE-CB 4.15Å; M368-I399 HydrophobicContact CE-CD1 4.2Å; M368-I399 HydrophobicContact CE-CG1 4.41Å; M368-I399 HydrophobicContact CG-CD1 3.95Å
369	K	88.8	Confident	89.2	Confident	103 Å²	103	46.4 Å²	46.4	45%	0.448	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	132	178	-62.1	172.9	-173.7	169.4	0	111.4	Y371 D397	K369-Y371 VanDerWaalsContact C-N 3.29Å; K369-Y371 PolarHBondContact O-N 3.33Å; K369-D397 HydrophobicContact CB-CB 4.15Å; K369-D397 HydrophobicContact CD-CB 4.29Å; K369-D397 HydrophobicContact CG-CB 4.25Å; K369-D397 PolarHBondContact N-OD2 3.41Å; K369-D397 VanDerWaalsContact N-OD2 3.15Å
370	G	83.4	Confident	89.3	Confident	45 Å²	45	46.6 Å²	46.6	46%	0.464	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	11.2	174.4	0	0	0	0	0	115.8	M368 A372 S373	M368-G370 PolarHBondContact O-N 3.17Å; G370-A372 PolarHBondContact O-N 2.74Å; G370-S373 PolarHBondContact O-N 2.96Å; G370-S373 PolarHBondContact O-OG 3.44Å
371	Y	81.9	Confident	89.5	Confident	43 Å²	43	43.9 Å²	43.9	17%	0.169	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-54.8	-32.4	-169	71.9	-85.7	0	0	0	115.7	N318 I339 C344 M368 K369 S373 L374 Y379	N318-Y371 PolarHBondContact ND2-O 3.23Å; I339-Y371 WeakPolarHBondContact CG2-OH 3.42Å; C344-Y371 HydrophobicContact CB-CE2 4.48Å; C344-Y371 VanDerWaalsContact SG-CZ 3.59Å; M368-Y371 VanDerWaalsContact O-CD1 3.22Å; M368-Y371 WeakPolarHBondContact O-CD1 3.4Å; K369-Y371 VanDerWaalsContact C-N 3.29Å; K369-Y371 PolarHBondContact O-N 3.33Å; Y371-S373 PolarHBondContact O-N 3.14Å; Y371-L374 PolarHBondContact O-N 2.93Å; Y371-Y379 WeakPolarHBondContact CA-OH 3.29Å; Y371-Y379 VanDerWaalsContact CB-OH 3.32Å; Y371-Y379 WeakPolarHBondContact CB-OH 3.35Å; Y371-Y379 PolarHBondContact O-OH 2.88Å
372	A	78.2	Confident	89.7	Confident	61 Å²	61	42.4 Å²	42.4	50%	0.504	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-68.3	-14.7	179.4	0	0	0	0	0	114	N318 G370	N318-A372 PolarHBondContact OD1-O 3.48Å; G370-A372 PolarHBondContact O-N 2.74Å
373	S	82.9	Confident	89.7	Confident	85 Å²	85	42.6 Å²	42.6	59%	0.594	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-109.4	-4.8	-178.4	62.2	0	0	0	0	114.2	G370 Y371	G370-S373 PolarHBondContact O-N 2.96Å; G370-S373 PolarHBondContact O-OG 3.44Å; Y371-S373 PolarHBondContact O-N 3.14Å
374	L	88.3	Confident	89.9	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.052	23%	0.226	C	C	.	.			trans	-96.4	138.1	-172.3	-65.3	176.5	0	0	0	111.8	Q319 Y371 Q378 Y379 T395	Q319-L374 PolarHBondContact NE2-O 3.43Å; Y371-L374 PolarHBondContact O-N 2.93Å; L374-Q378 HydrophobicContact CB-CB 4.45Å; L374-Q378 HydrophobicContact CD2-CB 4.28Å; L374-Y379 HydrophobicContact CB-CE2 3.64Å; L374-Y379 HydrophobicContact CD1-CE1 4.23Å; L374-Y379 HydrophobicContact CD1-CE2 4.45Å; L374-T395 HydrophobicContact CD2-CG2 3.92Å
375	G	86.4	Confident	89.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.			trans	-81.5	160.5	170.9	0	0	0	0	0	112.6	Q319 H377 Q378 Y379	Q319-G375 VanDerWaalsContact OE1-CA 3.29Å; G375-H377 VanDerWaalsContact C-N 3.32Å; G375-H377 PolarHBondContact O-N 3.05Å; G375-Q378 WeakPolarHBondContact O-CB 3.49Å; G375-Q378 PolarHBondContact O-N 2.91Å; G375-Y379 WeakPolarHBondContact O-CD2 3.23Å
376	C	90.1	Very high	89.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-47	-49.2	177.4	-171.3	0	0	0	0	113.9	L225 I314 Q378 Y379	L225-C376 HydrophobicContact CD2-CB 3.7Å; I314-C376 VanDerWaalsContact CD1-CA 3.48Å; I314-C376 HydrophobicContact CD1-CB 3.73Å; C376-Q378 PolarHBondContact O-N 3.34Å; C376-Q378 VanDerWaalsContact O-N 3.12Å; C376-Y379 PolarHBondContact O-N 2.92Å
377	H	90.4	Very high	89.5	Confident	67 Å²	67	45.8 Å²	45.8	31%	0.31	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-63.4	-12.2	179.7	64.9	-76	0	0	0	115.5	L224 P226 G375 Y379	L224-H377 WeakPolarHBondContact O-CB 3.24Å; L224-H377 PolarHBondContact O-N 3.31Å; P226-H377 HydrophobicContact CG-CB 4.43Å; G375-H377 VanDerWaalsContact C-N 3.32Å; G375-H377 PolarHBondContact O-N 3.05Å; H377-Y379 VanDerWaalsContact C-N 3.33Å
378	Q	93.3	Very high	89.6	Confident	54 Å²	54	43 Å²	43	25%	0.252	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-92	0	179.6	-58.8	-176.7	-80.1	0	0	112.9	L374 G375 C376 S394 T395	L374-Q378 HydrophobicContact CB-CB 4.45Å; L374-Q378 HydrophobicContact CD2-CB 4.28Å; G375-Q378 WeakPolarHBondContact O-CB 3.49Å; G375-Q378 PolarHBondContact O-N 2.91Å; C376-Q378 PolarHBondContact O-N 3.34Å; C376-Q378 VanDerWaalsContact O-N 3.12Å; Q378-S394 WeakPolarHBondContact O-CA 3.35Å; Q378-T395 HydrophobicContact CB-CG2 3.96Å; Q378-T395 HydrophobicContact CG-CG2 4.39Å
379	Y	94.9	Very high	89.8	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.008	26%	0.258	C	S	.	.			trans	-105.4	143.6	172.8	-67.7	-82	0	0	0	109.7	T281 F312 I314 P345 M368 Y371 L374 G375 C376 H377 L393	T281-Y379 HydrophobicContact CG2-CD2 4.17Å; T281-Y379 HydrophobicContact CG2-CG 4.2Å; F312-Y379 AromaticContact CE1-CD1 3.77Å; F312-Y379 HydrophobicContact CE1-CD1 3.77Å; F312-Y379 HydrophobicContact CE1-CG 4.19Å; F312-Y379 AromaticContact CZ-CD1 3.76Å; F312-Y379 HydrophobicContact CZ-CD1 3.76Å; F312-Y379 HydrophobicContact CZ-CE1 4.33Å; F312-Y379 HydrophobicContact CZ-CG 4.45Å; I314-Y379 HydrophobicContact CD1-CD2 4.45Å; I314-Y379 HydrophobicContact CD1-CE2 4.46Å; I314-Y379 HydrophobicContact CG2-CD2 4.16Å; I314-Y379 HydrophobicContact CG2-CE2 4.02Å; P345-Y379 HydrophobicContact CB-CE1 4.5Å; P345-Y379 HydrophobicContact CG-CE1 3.76Å; M368-Y379 HydrophobicContact SD-CD1 3.95Å; M368-Y379 HydrophobicContact SD-CE1 3.81Å; Y371-Y379 WeakPolarHBondContact CA-OH 3.29Å; Y371-Y379 VanDerWaalsContact CB-OH 3.32Å; Y371-Y379 WeakPolarHBondContact CB-OH 3.35Å; Y371-Y379 PolarHBondContact O-OH 2.88Å; L374-Y379 HydrophobicContact CB-CE2 3.64Å; L374-Y379 HydrophobicContact CD1-CE1 4.23Å; L374-Y379 HydrophobicContact CD1-CE2 4.45Å; G375-Y379 WeakPolarHBondContact O-CD2 3.23Å; C376-Y379 PolarHBondContact O-N 2.92Å; H377-Y379 VanDerWaalsContact C-N 3.33Å; Y379-L393 CarbonylContact C-O 3.6Å; Y379-L393 VanDerWaalsContact CA-O 3.28Å; Y379-L393 WeakPolarHBondContact CA-O 3.38Å
380	H	96	Very high	90.2	Very high	39 Å²	39	39.6 Å²	39.6	18%	0.181	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.4	174.7	-48.5	-87	0	0	0	110.3	S48 I50 L393	S48-H380 PolarHBondContact O-CE1 2.84Å; S48-H380 VanDerWaalsContact O-CE1 3.26Å; S48-H380 PolarHBondContact O-NE2 3.22Å; S48-H380 VanDerWaalsContact O-NE2 3.09Å; I50-H380 HydrophobicContact CG2-CB 3.56Å; H380-L393 HydrophobicContact CB-CB 4.18Å; H380-L393 HydrophobicContact CB-CD2 4.38Å; H380-L393 PolarHBondContact N-O 3.28Å; H380-L393 PolarHBondContact O-N 3.28Å
381	F	97.1	Very high	90.9	Very high	15 Å²	15	37.4 Å²	37.4	7%	0.066	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.2	174.9	-176.5	-127.2	0	0	0	110.2	L283 V310 F312 Y390 Y391 L392 M401	L283-F381 VanDerWaalsContact C-CD1 3.49Å; V310-F381 HydrophobicContact CB-CE1 4.34Å; V310-F381 HydrophobicContact CB-CZ 4.25Å; V310-F381 HydrophobicContact CG1-CE1 4.17Å; V310-F381 HydrophobicContact CG1-CZ 3.7Å; F312-F381 HydrophobicContact CB-CB 3.85Å; F312-F381 HydrophobicContact CB-CD1 4.31Å; F312-F381 HydrophobicContact CB-CD2 4.11Å; F312-F381 HydrophobicContact CB-CG 3.86Å; F312-F381 HydrophobicContact CD1-CB 4.12Å; F312-F381 HydrophobicContact CG-CB 4.45Å; F381-Y390 HydrophobicContact CE1-CD1 4.44Å; F381-Y390 HydrophobicContact CE2-CD1 4.23Å; F381-Y390 HydrophobicContact CE2-CG 4.28Å; F381-Y390 AromaticContact CZ-CD1 3.65Å; F381-Y390 HydrophobicContact CZ-CD1 3.65Å; F381-Y390 HydrophobicContact CZ-CG 4.08Å; F381-Y391 WeakPolarHBondContact CA-O 3.48Å; F381-Y391 WeakPolarHBondContact CD2-O 3.43Å; F381-L392 HydrophobicContact CD2-CD2 3.31Å; F381-L392 HydrophobicContact CE2-CD2 3.42Å; F381-L392 VanDerWaalsContact CE2-CD2 3.42Å; F381-L392 HydrophobicContact CG-CD2 4.45Å; F381-M401 HydrophobicContact CE2-CE 4.12Å; F381-M401 HydrophobicContact CZ-CE 4.05Å
382	C	94.7	Very high	91.6	Very high	31 Å²	31	35.4 Å²	35.4	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.6	173.3	-68.2	0	0	0	0	109.9	V52 Y390 Y391	V52-C382 HydrophobicContact CB-CB 4.19Å; V52-C382 HydrophobicContact CG2-CB 3.58Å; C382-Y390 CarbonylContact O-C 3.55Å; C382-Y390 WeakPolarHBondContact O-CA 3.42Å; C382-Y391 PolarHBondContact N-O 3.49Å; C382-Y391 VanDerWaalsContact N-O 3.1Å; C382-Y391 PolarHBondContact O-N 3.02Å
383	G	90.2	Very high	92.6	Very high	25 Å²	25	32.5 Å²	32.5	26%	0.258	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.5	177.5	0	0	0	0	0	112.5	P385 L389	G383-P385 VanDerWaalsContact C-CD 3.47Å; G383-P385 WeakPolarHBondContact O-CD 3.27Å; G383-L389 CarbonylContact C-O 3.58Å
384	L	93.8	Very high	93.2	Very high	25 Å²	25	28.4 Å²	28.4	13%	0.131	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	79.6	159.6	-62.8	173.3	0	0	0	106.9	V52 N386 D387 N388 L389	V52-L384 HydrophobicContact CG1-CD1 3.66Å; V52-L384 HydrophobicContact CG1-CD2 4.14Å; V52-L384 HydrophobicContact CG1-CG 3.74Å; L384-N386 VanDerWaalsContact C-N 3.27Å; L384-N386 PolarHBondContact O-N 3.41Å; L384-D387 HydrophobicContact CB-CB 4.17Å; L384-D387 PolarHBondContact O-N 3.03Å; L384-N388 PolarHBondContact O-N 3.47Å; L384-N388 VanDerWaalsContact O-N 3.17Å; L384-L389 CarbonylContact C-O 3.08Å; L384-L389 HydrophobicContact CB-CB 4.32Å; L384-L389 PolarHBondContact N-O 3.3Å; L384-L389 PolarHBondContact O-N 3.2Å
385	P	91.5	Very high	93.5	Very high	14 Å²	14	29 Å²	29	9%	0.091	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-54.3	-41.1	-172.3	-31.5	39.5	0	0	0	113.7	Y285 P287 G383 D387 N388	Y285-P385 HydrophobicContact CD1-CG 3.99Å; Y285-P385 HydrophobicContact CD2-CB 4Å; Y285-P385 HydrophobicContact CD2-CG 4.29Å; Y285-P385 HydrophobicContact CE1-CB 4.25Å; Y285-P385 HydrophobicContact CE1-CG 3.65Å; Y285-P385 HydrophobicContact CE2-CB 3.61Å; Y285-P385 HydrophobicContact CE2-CG 3.96Å; Y285-P385 HydrophobicContact CG-CB 4.46Å; Y285-P385 HydrophobicContact CG-CG 4.3Å; Y285-P385 WeakPolarHBondContact O-CB 3.4Å; P287-P385 VanDerWaalsContact CD-O 3.29Å; P287-P385 WeakPolarHBondContact CD-O 3.38Å; P287-P385 WeakPolarHBondContact CG-O 3.49Å; G383-P385 VanDerWaalsContact C-CD 3.47Å; G383-P385 WeakPolarHBondContact O-CD 3.27Å; P385-D387 PolarHBondContact O-N 2.85Å; P385-N388 PolarHBondContact O-N 3.41Å; P385-N388 PolarHBondContact O-OD1 2.91Å
386	N	88.5	Confident	93.8	Very high	128 Å²	128	35.1 Å²	35.1	68%	0.684	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-64.8	-27.9	-179	-64	-29.1	0	0	0	112.9	L384	L384-N386 VanDerWaalsContact C-N 3.27Å; L384-N386 PolarHBondContact O-N 3.41Å
387	D	90.5	Very high	94.1	Very high	83 Å²	83	35.1 Å²	35.1	44%	0.444	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-94.8	0.9	177.3	-55.2	-39.5	0	0	0	111.8	L384 P385 L389	L384-D387 HydrophobicContact CB-CB 4.17Å; L384-D387 PolarHBondContact O-N 3.03Å; P385-D387 PolarHBondContact O-N 2.85Å; D387-L389 HydrophobicContact CB-CB 4.38Å; D387-L389 HydrophobicContact CB-CD1 4.06Å; D387-L389 HydrophobicContact CB-CG 4.27Å; D387-L389 PolarHBondContact O-N 3.17Å
388	N	90.1	Very high	94.4	Very high	65 Å²	65	31.9 Å²	31.9	35%	0.348	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	33.6	-172.2	-65.8	-58.2	0	0	0	113.4	L384 P385 R402 C403	L384-N388 PolarHBondContact O-N 3.47Å; L384-N388 VanDerWaalsContact O-N 3.17Å; P385-N388 PolarHBondContact O-N 3.41Å; P385-N388 PolarHBondContact O-OD1 2.91Å; N388-R402 WeakPolarHBondContact O-CA 3.23Å; N388-R402 WeakPolarHBondContact O-CB 3.44Å; N388-C403 HydrophobicContact CB-CB 4.11Å; N388-C403 PolarHBondContact O-N 3.35Å
389	L	94.2	Very high	94.6	Very high	37 Å²	37	29.7 Å²	29.7	19%	0.194	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.8	-178	-74.5	171.8	0	0	0	110.8	G383 L384 D387 Y391 Q400 R402	G383-L389 CarbonylContact C-O 3.58Å; L384-L389 CarbonylContact C-O 3.08Å; L384-L389 HydrophobicContact CB-CB 4.32Å; L384-L389 PolarHBondContact N-O 3.3Å; L384-L389 PolarHBondContact O-N 3.2Å; D387-L389 HydrophobicContact CB-CB 4.38Å; D387-L389 HydrophobicContact CB-CD1 4.06Å; D387-L389 HydrophobicContact CB-CG 4.27Å; D387-L389 PolarHBondContact O-N 3.17Å; L389-Y391 HydrophobicContact CB-CE2 4.5Å; L389-Q400 HydrophobicContact CD2-CG 4.26Å; L389-R402 HydrophobicContact CD2-CB 4.04Å
390	Y	97.2	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.6	179.1	-45.4	-102	0	0	0	110.6	F29 S284 Y285 V310 F381 C382 Q400 M401	F29-Y390 HydrophobicContact CE1-CE2 4.39Å; S284-Y390 WeakPolarHBondContact OG-CE1 3.47Å; Y285-Y390 PolarHBondContact O-OH 3.16Å; V310-Y390 HydrophobicContact CG2-CE1 4.27Å; F381-Y390 HydrophobicContact CE1-CD1 4.44Å; F381-Y390 HydrophobicContact CE2-CD1 4.23Å; F381-Y390 HydrophobicContact CE2-CG 4.28Å; F381-Y390 AromaticContact CZ-CD1 3.65Å; F381-Y390 HydrophobicContact CZ-CD1 3.65Å; F381-Y390 HydrophobicContact CZ-CG 4.08Å; C382-Y390 CarbonylContact O-C 3.55Å; C382-Y390 WeakPolarHBondContact O-CA 3.42Å; Y390-Q400 CarbonylContact O-C 3.53Å; Y390-Q400 WeakPolarHBondContact O-CA 3.28Å; Y390-M401 HydrophobicContact CD1-CE 4.23Å; Y390-M401 HydrophobicContact CD2-CE 3.54Å; Y390-M401 HydrophobicContact CE2-CE 4.26Å; Y390-M401 HydrophobicContact CG-CE 3.55Å; Y390-M401 PolarHBondContact N-O 3.13Å; Y390-M401 PolarHBondContact O-N 2.76Å
391	Y	98.2	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	119.8	-173.1	-68.8	-82.3	0	0	0	110.3	L34 V52 I57 H71 F381 C382 L389 L398 I399 Q400	L34-Y391 HydrophobicContact CD1-CD1 4.5Å; L34-Y391 HydrophobicContact CD1-CE1 4.06Å; V52-Y391 HydrophobicContact CB-CD2 4.35Å; V52-Y391 HydrophobicContact CG1-CD2 3.78Å; V52-Y391 HydrophobicContact CG1-CE2 3.72Å; V52-Y391 HydrophobicContact CG2-CD2 3.72Å; V52-Y391 HydrophobicContact CG2-CE2 4.43Å; V52-Y391 HydrophobicContact CG2-CG 4.15Å; I57-Y391 HydrophobicContact CD1-CD1 3.81Å; I57-Y391 HydrophobicContact CD1-CE1 3.3Å; I57-Y391 HydrophobicContact CD1-CE2 4.4Å; I57-Y391 HydrophobicContact CG1-CE1 4.21Å; I57-Y391 HydrophobicContact CG1-CE2 4.49Å; H71-Y391 WeakPolarHBondContact CB-OH 3.25Å; H71-Y391 AromaticContact ND1-CE2 3.94Å; H71-Y391 AromaticContact ND1-CZ 3.58Å; H71-Y391 PolarHBondContact ND1-OH 2.71Å; F381-Y391 WeakPolarHBondContact CA-O 3.48Å; F381-Y391 WeakPolarHBondContact CD2-O 3.43Å; C382-Y391 PolarHBondContact N-O 3.49Å; C382-Y391 VanDerWaalsContact N-O 3.1Å; C382-Y391 PolarHBondContact O-N 3.02Å; L389-Y391 HydrophobicContact CB-CE2 4.5Å; Y391-L398 HydrophobicContact CD1-CD1 4.16Å; Y391-I399 WeakPolarHBondContact CA-O 3.41Å; Y391-Q400 HydrophobicContact CD1-CB 4.21Å; Y391-Q400 HydrophobicContact CD1-CG 4.5Å; Y391-Q400 HydrophobicContact CE1-CB 3.79Å; Y391-Q400 HydrophobicContact CE1-CG 3.81Å; Y391-Q400 PolarHBondContact OH-NE2 3.31Å
392	L	98.1	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.7	172.8	-39.4	179.9	0	0	0	107.6	Y31 F312 V347 I366 M368 F381 L398 I399	Y31-L392 HydrophobicContact CD1-CD1 4.44Å; Y31-L392 HydrophobicContact CE1-CD1 4.24Å; F312-L392 HydrophobicContact CB-CD2 4.35Å; F312-L392 HydrophobicContact CD1-CD2 4.27Å; F312-L392 HydrophobicContact CD2-CD1 4.44Å; F312-L392 HydrophobicContact CD2-CD2 4.15Å; F312-L392 HydrophobicContact CE1-CB 4.21Å; F312-L392 HydrophobicContact CE2-CD1 4.3Å; F312-L392 HydrophobicContact CG-CD2 4.01Å; F312-L392 HydrophobicContact CZ-CB 4.31Å; V347-L392 HydrophobicContact CG2-CD1 3.73Å; V347-L392 HydrophobicContact CG2-CD2 3.96Å; I366-L392 HydrophobicContact CB-CD1 4.4Å; I366-L392 HydrophobicContact CD1-CD1 4.35Å; I366-L392 HydrophobicContact CG1-CD1 3.9Å; I366-L392 HydrophobicContact CG2-CD1 3.82Å; M368-L392 HydrophobicContact CE-CB 4.27Å; M368-L392 HydrophobicContact SD-CB 4.49Å; F381-L392 HydrophobicContact CD2-CD2 3.31Å; F381-L392 HydrophobicContact CE2-CD2 3.42Å; F381-L392 VanDerWaalsContact CE2-CD2 3.42Å; F381-L392 HydrophobicContact CG-CD2 4.45Å; L392-L398 WeakPolarHBondContact O-CA 3.24Å; L392-I399 HydrophobicContact CB-CB 4.28Å; L392-I399 HydrophobicContact CD1-CG2 4.48Å; L392-I399 PolarHBondContact N-O 3.26Å; L392-I399 PolarHBondContact O-N 3.02Å
393	L	97.7	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.6	178.4	178.1	71.3	0	0	0	110	F42 A47 I50 L59 Y379 H380 L398	F42-L393 HydrophobicContact CZ-CD1 4.18Å; A47-L393 HydrophobicContact CB-CD1 3.84Å; A47-L393 HydrophobicContact CB-CD2 3.76Å; A47-L393 HydrophobicContact CB-CG 4.19Å; I50-L393 HydrophobicContact CB-CD2 3.68Å; I50-L393 HydrophobicContact CD1-CB 4.46Å; I50-L393 HydrophobicContact CG2-CB 4.22Å; I50-L393 HydrophobicContact CG2-CD2 3.71Å; L59-L393 HydrophobicContact CD2-CD1 4.33Å; L59-L393 HydrophobicContact CD2-CD2 4.03Å; Y379-L393 CarbonylContact C-O 3.6Å; Y379-L393 VanDerWaalsContact CA-O 3.28Å; Y379-L393 WeakPolarHBondContact CA-O 3.38Å; H380-L393 HydrophobicContact CB-CB 4.18Å; H380-L393 HydrophobicContact CB-CD2 4.38Å; H380-L393 PolarHBondContact N-O 3.28Å; H380-L393 PolarHBondContact O-N 3.28Å; L393-L398 HydrophobicContact CB-CD1 4.08Å; L393-L398 HydrophobicContact CD1-CB 4.14Å; L393-L398 HydrophobicContact CD1-CD1 4.08Å
394	S	95.2	Very high	94.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-179.1	158.8	68.9	0	0	0	0	108.7	Q378 R396 D397	Q378-S394 WeakPolarHBondContact O-CA 3.35Å; S394-R396 PolarHBondContact O-N 3.25Å; S394-D397 PolarHBondContact N-O 3.17Å; S394-D397 VanDerWaalsContact OG-CB 3.23Å; S394-D397 WeakPolarHBondContact OG-CB 3.35Å; S394-D397 PolarHBondContact OG-N 3.13Å; S394-D397 PolarHBondContact OG-O 3.15Å
395	T	94.7	Very high	94	Very high	21 Å²	21	33.8 Å²	33.8	13%	0.129	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.6	-179.5	56.9	0	0	0	0	114.7	A46 A47 L374 Q378	A46-T395 CarbonylContact C-O 3.56Å; A46-T395 VanDerWaalsContact CA-O 3.26Å; A46-T395 WeakPolarHBondContact CA-O 3.37Å; A46-T395 WeakPolarHBondContact CB-O 3.35Å; A47-T395 PolarHBondContact N-O 2.86Å; L374-T395 HydrophobicContact CD2-CG2 3.92Å; Q378-T395 HydrophobicContact CB-CG2 3.96Å; Q378-T395 HydrophobicContact CG-CG2 4.39Å
396	R	94.3	Very high	94	Very high	130 Å²	130	35 Å²	35	49%	0.491	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.8	19.5	-174.3	-64.4	-169.7	-179.5	-170.3	-1.3	114.5	F42 A46 S394	F42-R396 HydrophobicContact CB-CB 4.12Å; F42-R396 HydrophobicContact CB-CG 4.37Å; F42-R396 VanDerWaalsContact CD2-C 3.45Å; F42-R396 WeakPolarHBondContact CD2-O 3.47Å; F42-R396 HydrophobicContact CG-CB 4.27Å; A46-R396 HydrophobicContact CB-CG 4.42Å; S394-R396 PolarHBondContact O-N 3.25Å
397	D	95.3	Very high	94.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	131.5	-179.3	-155.6	18.6	0	0	0	109.5	R33 M368 K369 S394	R33-D397 WeakPolarHBondContact CD-OD1 3.27Å; R33-D397 WeakPolarHBondContact CG-OD1 3.36Å; R33-D397 IonicContact CZ-OD1 2.73Å; R33-D397 IonicContact CZ-OD2 3.08Å; R33-D397 VanDerWaalsContact NE-CG 3.31Å; R33-D397 IonicContact NE-OD1 3.78Å; R33-D397 PolarHBondContact NE-OD1 2.88Å; R33-D397 IonicContact NE-OD2 2.64Å; R33-D397 PolarHBondContact NE-OD2 3.36Å; R33-D397 IonicContact NH2-OD2 3.46Å; R33-D397 PolarHBondContact NH2-OD2 3.13Å; M368-D397 HydrophobicContact CE-CB 4.15Å; K369-D397 HydrophobicContact CB-CB 4.15Å; K369-D397 HydrophobicContact CD-CB 4.29Å; K369-D397 HydrophobicContact CG-CB 4.25Å; K369-D397 PolarHBondContact N-OD2 3.41Å; K369-D397 VanDerWaalsContact N-OD2 3.15Å; S394-D397 PolarHBondContact N-O 3.17Å; S394-D397 VanDerWaalsContact OG-CB 3.23Å; S394-D397 WeakPolarHBondContact OG-CB 3.35Å; S394-D397 PolarHBondContact OG-N 3.13Å; S394-D397 PolarHBondContact OG-O 3.15Å
398	L	97.2	Very high	94.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.4	177.4	179.6	57.7	0	0	0	108.8	L34 L38 F42 I50 I57 L59 Y391 L392 L393	L34-L398 HydrophobicContact CD1-CD2 3.89Å; L34-L398 HydrophobicContact CD1-CG 4.09Å; L34-L398 HydrophobicContact CG-CG 4.44Å; L34-L398 PolarHBondContact N-O 3.38Å; L38-L398 HydrophobicContact CD1-CB 4.34Å; L38-L398 HydrophobicContact CD1-CD2 3.85Å; L38-L398 HydrophobicContact CD2-CD2 4.31Å; F42-L398 HydrophobicContact CE2-CB 4.28Å; F42-L398 HydrophobicContact CZ-CB 4.46Å; I50-L398 HydrophobicContact CD1-CD1 4Å; I57-L398 HydrophobicContact CD1-CD2 4.47Å; L59-L398 HydrophobicContact CD1-CD2 4.42Å; Y391-L398 HydrophobicContact CD1-CD1 4.16Å; L392-L398 WeakPolarHBondContact O-CA 3.24Å; L393-L398 HydrophobicContact CB-CD1 4.08Å; L393-L398 HydrophobicContact CD1-CB 4.14Å; L393-L398 HydrophobicContact CD1-CD1 4.08Å
399	I	97.9	Very high	94.3	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.036	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.9	-178.8	-59.1	173.6	0	0	0	108	Y31 R33 I366 M368 Y391 L392	Y31-I399 HydrophobicContact CD1-CG2 4.07Å; R33-I399 HydrophobicContact CB-CG1 4.42Å; I366-I399 HydrophobicContact CG2-CD1 3.58Å; M368-I399 HydrophobicContact CE-CD1 4.2Å; M368-I399 HydrophobicContact CE-CG1 4.41Å; M368-I399 HydrophobicContact CG-CD1 3.95Å; Y391-I399 WeakPolarHBondContact CA-O 3.41Å; L392-I399 HydrophobicContact CB-CB 4.28Å; L392-I399 HydrophobicContact CD1-CG2 4.48Å; L392-I399 PolarHBondContact N-O 3.26Å; L392-I399 PolarHBondContact O-N 3.02Å
400	Q	97.4	Very high	94.2	Very high	19 Å²	19	26 Å²	26	9%	0.089	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.9	165.7	-177.8	-175.9	58.6	0	0	109	Y31 R32 L34 H71 L389 Y390 Y391	Y31-Q400 CarbonylContact C-O 3.47Å; Y31-Q400 WeakPolarHBondContact CA-O 3.3Å; R32-Q400 PolarHBondContact N-O 2.84Å; R32-Q400 PolarHBondContact O-N 2.93Å; L34-Q400 HydrophobicContact CD2-CB 3.97Å; L34-Q400 HydrophobicContact CG-CB 4.31Å; H71-Q400 PolarHBondContact O-NE2 3.41Å; L389-Q400 HydrophobicContact CD2-CG 4.26Å; Y390-Q400 CarbonylContact O-C 3.53Å; Y390-Q400 WeakPolarHBondContact O-CA 3.28Å; Y391-Q400 HydrophobicContact CD1-CB 4.21Å; Y391-Q400 HydrophobicContact CD1-CG 4.5Å; Y391-Q400 HydrophobicContact CE1-CB 3.79Å; Y391-Q400 HydrophobicContact CE1-CG 3.81Å; Y391-Q400 PolarHBondContact OH-NE2 3.31Å
401	M	96.1	Very high	94	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137	175.6	177.5	-176.5	94.3	0	0	108.4	F29 K30 Y31 V310 V347 F381 Y390	F29-M401 HydrophobicContact CB-CG 3.9Å; F29-M401 HydrophobicContact CB-SD 4.38Å; F29-M401 HydrophobicContact CD1-CE 3.99Å; F29-M401 HydrophobicContact CD1-CG 3.93Å; F29-M401 HydrophobicContact CD1-SD 4.19Å; F29-M401 HydrophobicContact CD2-SD 4.48Å; F29-M401 HydrophobicContact CE1-CE 3.95Å; F29-M401 HydrophobicContact CG-CE 4.39Å; F29-M401 HydrophobicContact CG-CG 4.02Å; F29-M401 HydrophobicContact CG-SD 4.1Å; F29-M401 HydrophobicContact CZ-CE 4.32Å; K30-M401 WeakPolarHBondContact O-CA 3.39Å; Y31-M401 HydrophobicContact CD1-CB 3.92Å; Y31-M401 HydrophobicContact CD1-CG 3.9Å; Y31-M401 HydrophobicContact CD1-SD 4.43Å; Y31-M401 HydrophobicContact CE1-CB 3.87Å; Y31-M401 HydrophobicContact CE1-CG 3.43Å; Y31-M401 VanDerWaalsContact CE1-CG 3.43Å; Y31-M401 HydrophobicContact CE1-SD 3.48Å; Y31-M401 WeakPolarHBondContact CE1-SD 3.44Å; V310-M401 HydrophobicContact CG1-CE 3.53Å; V347-M401 HydrophobicContact CB-SD 4.25Å; V347-M401 HydrophobicContact CG1-CE 4.15Å; V347-M401 HydrophobicContact CG1-SD 3.64Å; V347-M401 HydrophobicContact CG2-SD 3.85Å; F381-M401 HydrophobicContact CE2-CE 4.12Å; F381-M401 HydrophobicContact CZ-CE 4.05Å; Y390-M401 HydrophobicContact CD1-CE 4.23Å; Y390-M401 HydrophobicContact CD2-CE 3.54Å; Y390-M401 HydrophobicContact CE2-CE 4.26Å; Y390-M401 HydrophobicContact CG-CE 3.55Å; Y390-M401 PolarHBondContact N-O 3.13Å; Y390-M401 PolarHBondContact O-N 2.76Å
402	R	93.7	Very high	93.6	Very high	67 Å²	67	29.4 Å²	29.4	25%	0.253	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.5	173.9	66.7	170.9	-175	71.2	-3.2	111.7	F29 K30 N388 L389 D408	F29-R402 CarbonylContact C-O 3.59Å; F29-R402 VanDerWaalsContact CA-O 3.32Å; F29-R402 WeakPolarHBondContact CA-O 3.28Å; K30-R402 HydrophobicContact CB-CG 4.28Å; K30-R402 VanDerWaalsContact CD-NH2 3.34Å; K30-R402 PolarHBondContact N-O 2.61Å; K30-R402 PolarHBondContact O-N 3.16Å; N388-R402 WeakPolarHBondContact O-CA 3.23Å; N388-R402 WeakPolarHBondContact O-CB 3.44Å; L389-R402 HydrophobicContact CD2-CB 4.04Å; R402-D408 IonicContact CZ-OD2 3.17Å; R402-D408 IonicContact NH1-OD2 2.81Å; R402-D408 PolarHBondContact NH1-OD2 2.97Å; R402-D408 IonicContact NH2-OD1 2.88Å; R402-D408 PolarHBondContact NH2-OD1 3.17Å; R402-D408 IonicContact NH2-OD2 3.19Å; R402-D408 PolarHBondContact NH2-OD2 2.86Å
403	C	88.7	Confident	93.3	Very high	31 Å²	31	30 Å²	30	21%	0.209	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	140.7	171.8	-58.1	0	0	0	0	110	N388	N388-C403 HydrophobicContact CB-CB 4.11Å; N388-C403 PolarHBondContact O-N 3.35Å
404	C	89.7	Confident	93.1	Very high	37 Å²	37	30.6 Å²	30.6	25%	0.25	15%	0.147	C	C	.	.			trans	-65.6	135.6	171.5	-74.1	0	0	0	0	109.7	P27 K28 F29 D408	P27-C404 PolarHBondContact O-SG 2.79Å; K28-C404 PolarHBondContact O-N 2.83Å; F29-C404 VanDerWaalsContact C-SG 3.54Å; C404-D408 HydrophobicContact CB-CB 4.12Å
405	N	88.1	Confident	92.8	Very high	69 Å²	69	35 Å²	35	37%	0.369	18%	0.177	S	C	.	.			trans	-100.1	178.6	173.9	69.2	5.3	0	0	0	110.6	D407 D408 R409	N405-D407 VanDerWaalsContact C-N 3.26Å; N405-D407 PolarHBondContact O-N 2.9Å; N405-D407 WeakPolarHBondContact OD1-CB 3.28Å; N405-D407 PolarHBondContact OD1-N 3.48Å; N405-D408 PolarHBondContact N-OD2 2.89Å; N405-D408 WeakPolarHBondContact O-CB 3.42Å; N405-D408 PolarHBondContact O-N 3.33Å; N405-D408 VanDerWaalsContact O-N 3.1Å; N405-D408 VanDerWaalsContact OD1-CG 3.27Å; N405-D408 PolarHBondContact OD1-N 3.45Å; N405-D408 PolarHBondContact OD1-OD2 3.11Å; N405-R409 PolarHBondContact O-N 2.95Å
406	N	91	Very high	92.5	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-32.1	-179.9	-71.7	-18	0	0	0	113.2	R409 V410 F425 E432 L433	N406-R409 PolarHBondContact O-N 2.92Å; N406-V410 WeakPolarHBondContact O-CG2 3.35Å; N406-V410 PolarHBondContact O-N 3.47Å; N406-F425 HydrophobicContact CB-CE1 3.93Å; N406-F425 HydrophobicContact CB-CZ 4.27Å; N406-E432 PolarHBondContact ND2-OE2 3.21Å; N406-L433 VanDerWaalsContact C-CD2 3.47Å; N406-L433 HydrophobicContact CB-CD2 3.73Å
407	D	92.4	Very high	92.3	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-41.1	173.4	-78.2	-65.3	0	0	0	112.2	N405 R409 V410 G411 L433 T434 K435 Y436	N405-D407 VanDerWaalsContact C-N 3.26Å; N405-D407 PolarHBondContact O-N 2.9Å; N405-D407 WeakPolarHBondContact OD1-CB 3.28Å; N405-D407 PolarHBondContact OD1-N 3.48Å; D407-R409 VanDerWaalsContact C-N 3.33Å; D407-V410 PolarHBondContact O-N 3.03Å; D407-G411 PolarHBondContact O-N 3.32Å; D407-L433 HydrophobicContact CB-CD2 4.47Å; D407-T434 PolarHBondContact OD1-N 3.36Å; D407-T434 PolarHBondContact OD2-N 3.45Å; D407-T434 PolarHBondContact OD2-OG1 3.19Å; D407-K435 HydrophobicContact CB-CB 4.15Å; D407-K435 VanDerWaalsContact CG-N 3.33Å; D407-K435 WeakPolarHBondContact OD1-CA 3.28Å; D407-K435 WeakPolarHBondContact OD1-CB 3.48Å; D407-K435 PolarHBondContact OD1-N 3.02Å; D407-K435 PolarHBondContact OD2-N 3.43Å; D407-Y436 HydrophobicContact CB-CD2 4.17Å; D407-Y436 WeakPolarHBondContact O-CD2 3.48Å; D407-Y436 VanDerWaalsContact O-CE2 3.26Å; D407-Y436 WeakPolarHBondContact O-CE2 3.41Å; D407-Y436 PolarHBondContact OD1-N 2.87Å
408	D	91.8	Very high	92.1	Very high	26 Å²	26	33.9 Å²	33.9	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-41.2	175.7	-65.5	-52.8	0	0	0	110.9	K30 R402 C404 N405 G411 W412	K30-D408 IonicContact NZ-OD1 2.74Å; K30-D408 PolarHBondContact NZ-OD1 2.75Å; R402-D408 IonicContact CZ-OD2 3.17Å; R402-D408 IonicContact NH1-OD2 2.81Å; R402-D408 PolarHBondContact NH1-OD2 2.97Å; R402-D408 IonicContact NH2-OD1 2.88Å; R402-D408 PolarHBondContact NH2-OD1 3.17Å; R402-D408 IonicContact NH2-OD2 3.19Å; R402-D408 PolarHBondContact NH2-OD2 2.86Å; C404-D408 HydrophobicContact CB-CB 4.12Å; N405-D408 PolarHBondContact N-OD2 2.89Å; N405-D408 WeakPolarHBondContact O-CB 3.42Å; N405-D408 PolarHBondContact O-N 3.33Å; N405-D408 VanDerWaalsContact O-N 3.1Å; N405-D408 VanDerWaalsContact OD1-CG 3.27Å; N405-D408 PolarHBondContact OD1-N 3.45Å; N405-D408 PolarHBondContact OD1-OD2 3.11Å; D408-G411 PolarHBondContact O-N 3.14Å; D408-W412 WeakPolarHBondContact O-CB 3.46Å; D408-W412 PolarHBondContact O-N 3.09Å
409	R	91.6	Very high	91.8	Very high	91 Å²	91	34.9 Å²	34.9	34%	0.343	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-46.4	176.2	179.9	170.9	-153.6	-171	7.9	112.2	E26 N405 N406 D407 W412 M413 F425	E26-R409 WeakPolarHBondContact OE1-CD 3.37Å; E26-R409 WeakPolarHBondContact OE1-CG 3.47Å; E26-R409 IonicContact OE1-CZ 3Å; E26-R409 IonicContact OE1-NE 2.64Å; E26-R409 PolarHBondContact OE1-NE 2.88Å; E26-R409 IonicContact OE2-CZ 3.46Å; E26-R409 IonicContact OE2-NE 3.73Å; E26-R409 PolarHBondContact OE2-NE 3.35Å; E26-R409 IonicContact OE2-NH2 3.13Å; E26-R409 PolarHBondContact OE2-NH2 3.32Å; N405-R409 PolarHBondContact O-N 2.95Å; N406-R409 PolarHBondContact O-N 2.92Å; D407-R409 VanDerWaalsContact C-N 3.33Å; R409-W412 PolarHBondContact O-N 3Å; R409-M413 HydrophobicContact CG-CE 3.44Å; R409-M413 VanDerWaalsContact CG-CE 3.44Å; R409-M413 WeakPolarHBondContact O-CG 3.35Å; R409-M413 PolarHBondContact O-N 3.3Å; R409-F425 HydrophobicContact CG-CE1 4.39Å; R409-F425 HydrophobicContact CG-CZ 4.43Å
410	V	92.9	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-46.2	173.3	170.5	0	0	0	0	110.9	N406 D407 W412 M413 L414 F425 A426 L433 Y436 V441	N406-V410 WeakPolarHBondContact O-CG2 3.35Å; N406-V410 PolarHBondContact O-N 3.47Å; D407-V410 PolarHBondContact O-N 3.03Å; V410-W412 VanDerWaalsContact C-N 3.28Å; V410-W412 PolarHBondContact O-N 3.47Å; V410-M413 PolarHBondContact O-N 3.42Å; V410-L414 HydrophobicContact CG1-CD1 3.99Å; V410-L414 HydrophobicContact CG1-CG 4.41Å; V410-L414 WeakPolarHBondContact O-CB 3.38Å; V410-L414 VanDerWaalsContact O-CG 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.46Å; V410-L414 PolarHBondContact O-N 3.44Å; V410-F425 HydrophobicContact CG2-CD1 3.65Å; V410-F425 HydrophobicContact CG2-CE1 4.16Å; V410-A426 HydrophobicContact CG2-CB 4.34Å; V410-L433 HydrophobicContact CG2-CD1 4.21Å; V410-L433 HydrophobicContact CG2-CD2 3.96Å; V410-Y436 HydrophobicContact CB-CD2 4.08Å; V410-Y436 HydrophobicContact CB-CG 4.39Å; V410-Y436 HydrophobicContact CG1-CD1 4.13Å; V410-Y436 HydrophobicContact CG1-CD2 3.87Å; V410-Y436 HydrophobicContact CG1-CE2 4.41Å; V410-Y436 HydrophobicContact CG1-CG 3.72Å; V410-V441 HydrophobicContact CG1-CG2 3.61Å
411	G	91.9	Very high	91.2	Very high	17 Å²	17	40.8 Å²	40.8	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-37.2	177.7	0	0	0	0	0	113.4	D407 D408 S415	D407-G411 PolarHBondContact O-N 3.32Å; D408-G411 PolarHBondContact O-N 3.14Å; G411-S415 PolarHBondContact O-N 3.25Å
412	W	89.8	Confident	91	Very high	54 Å²	54	40.8 Å²	40.8	21%	0.205	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-45.1	175.7	177	88.6	0	0	0	112.1	S24 E26 P27 D408 R409 V410 L414 S415 K416 L418	S24-W412 VanDerWaalsContact O-CZ2 3.31Å; S24-W412 WeakPolarHBondContact O-CZ2 3.42Å; E26-W412 HydrophobicContact CB-CH2 4.42Å; E26-W412 HydrophobicContact CB-CZ3 4.44Å; E26-W412 HydrophobicContact CG-CD2 4.42Å; E26-W412 HydrophobicContact CG-CE3 4.25Å; P27-W412 VanDerWaalsContact CD-CD1 3.43Å; P27-W412 HydrophobicContact CG-CG 4.38Å; D408-W412 WeakPolarHBondContact O-CB 3.46Å; D408-W412 PolarHBondContact O-N 3.09Å; R409-W412 PolarHBondContact O-N 3Å; V410-W412 VanDerWaalsContact C-N 3.28Å; V410-W412 PolarHBondContact O-N 3.47Å; W412-L414 VanDerWaalsContact C-N 3.28Å; W412-L414 PolarHBondContact O-N 3.23Å; W412-S415 PolarHBondContact O-N 3.47Å; W412-S415 PolarHBondContact O-OG 3.1Å; W412-K416 HydrophobicContact CD2-CG 4.29Å; W412-K416 HydrophobicContact CH2-CG 4.48Å; W412-K416 HydrophobicContact CZ2-CG 4.01Å; W412-K416 WeakPolarHBondContact O-CG 3.07Å; W412-K416 PolarHBondContact O-N 2.88Å; W412-L418 HydrophobicContact CH2-CD1 4.48Å; W412-L418 HydrophobicContact CZ3-CD1 4.23Å
413	M	92.8	Very high	90.9	Very high	12 Å²	12	38 Å²	38	6%	0.059	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175.4	-70.3	-170.4	-125	0	0	111.3	R409 V410 K416 G417 L418 K421 A422 F425	R409-M413 HydrophobicContact CG-CE 3.44Å; R409-M413 VanDerWaalsContact CG-CE 3.44Å; R409-M413 WeakPolarHBondContact O-CG 3.35Å; R409-M413 PolarHBondContact O-N 3.3Å; V410-M413 PolarHBondContact O-N 3.42Å; M413-K416 CarbonylContact O-C 3.25Å; M413-K416 PolarHBondContact O-N 3.26Å; M413-G417 PolarHBondContact O-N 3.3Å; M413-L418 HydrophobicContact CB-CB 4.2Å; M413-L418 PolarHBondContact O-N 2.83Å; M413-K421 VanDerWaalsContact SD-C 3.6Å; M413-K421 HydrophobicContact SD-CB 3.82Å; M413-A422 HydrophobicContact CB-CB 3.73Å; M413-A422 HydrophobicContact SD-CB 4.39Å; M413-F425 HydrophobicContact CE-CB 3.8Å; M413-F425 HydrophobicContact CE-CD1 4.07Å; M413-F425 HydrophobicContact CE-CD2 4.09Å; M413-F425 HydrophobicContact CE-CG 3.7Å; M413-F425 HydrophobicContact SD-CB 4.5Å
414	L	92.5	Very high	91.1	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.3	-72.4	175	0	0	0	112.7	V410 W412 K416 G417 F419 A422 Y436 V441	V410-L414 HydrophobicContact CG1-CD1 3.99Å; V410-L414 HydrophobicContact CG1-CG 4.41Å; V410-L414 WeakPolarHBondContact O-CB 3.38Å; V410-L414 VanDerWaalsContact O-CG 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.46Å; V410-L414 PolarHBondContact O-N 3.44Å; W412-L414 VanDerWaalsContact C-N 3.28Å; W412-L414 PolarHBondContact O-N 3.23Å; L414-K416 PolarHBondContact O-N 3.25Å; L414-G417 PolarHBondContact O-N 2.82Å; L414-G417 VanDerWaalsContact O-N 3.13Å; L414-F419 HydrophobicContact CD2-CD1 3.38Å; L414-F419 HydrophobicContact CD2-CE1 3.66Å; L414-F419 HydrophobicContact CD2-CG 4.37Å; L414-A422 HydrophobicContact CD2-CB 3.95Å; L414-A422 HydrophobicContact CG-CB 4.07Å; L414-Y436 HydrophobicContact CD1-CD1 4.13Å; L414-Y436 HydrophobicContact CD1-CE1 3.74Å; L414-V441 HydrophobicContact CD2-CG1 4.2Å
415	S	89.5	Confident	91.2	Very high	92 Å²	92	40.7 Å²	40.7	64%	0.643	21%	0.212	S	C	*	.	H	α-helix	trans	-69.6	-22.8	178.2	70.6	0	0	0	0	113	G411 W412 G417	G411-S415 PolarHBondContact O-N 3.25Å; W412-S415 PolarHBondContact O-N 3.47Å; W412-S415 PolarHBondContact O-OG 3.1Å; S415-G417 VanDerWaalsContact C-N 3.33Å
416	K	88.1	Confident	91.4	Very high	71 Å²	71	37.4 Å²	37.4	31%	0.309	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.8	172.6	-68.2	-68.9	176.7	166	0	114.1	S24 W412 M413 L414 L418	S24-K416 WeakPolarHBondContact OG-CE 3.24Å; S24-K416 PolarHBondContact OG-NZ 3.27Å; W412-K416 HydrophobicContact CD2-CG 4.29Å; W412-K416 HydrophobicContact CH2-CG 4.48Å; W412-K416 HydrophobicContact CZ2-CG 4.01Å; W412-K416 WeakPolarHBondContact O-CG 3.07Å; W412-K416 PolarHBondContact O-N 2.88Å; M413-K416 CarbonylContact O-C 3.25Å; M413-K416 PolarHBondContact O-N 3.26Å; L414-K416 PolarHBondContact O-N 3.25Å; K416-L418 HydrophobicContact CB-CD1 4.21Å; K416-L418 HydrophobicContact CB-CG 4.11Å; K416-L418 PolarHBondContact O-N 2.96Å
417	G	89.5	Confident	91.4	Very high	22 Å²	22	41.9 Å²	41.9	23%	0.227	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	7.1	-178.6	0	0	0	0	0	114.6	M413 L414 S415 F419	M413-G417 PolarHBondContact O-N 3.3Å; L414-G417 PolarHBondContact O-N 2.82Å; L414-G417 VanDerWaalsContact O-N 3.13Å; S415-G417 VanDerWaalsContact C-N 3.33Å; G417-F419 WeakPolarHBondContact O-CD2 3.37Å; G417-F419 PolarHBondContact O-N 3Å
418	L	91	Very high	91.5	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.188	24%	0.241	C	C	.	.			trans	-79.8	58	178.9	-59.7	174.8	0	0	0	110.8	E17 W412 M413 K416 N420 K421 A422	E17-L418 WeakPolarHBondContact OE2-CD2 3.34Å; W412-L418 HydrophobicContact CH2-CD1 4.48Å; W412-L418 HydrophobicContact CZ3-CD1 4.23Å; M413-L418 HydrophobicContact CB-CB 4.2Å; M413-L418 PolarHBondContact O-N 2.83Å; K416-L418 HydrophobicContact CB-CD1 4.21Å; K416-L418 HydrophobicContact CB-CG 4.11Å; K416-L418 PolarHBondContact O-N 2.96Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 3.14Å; L418-K421 HydrophobicContact CB-CB 4.39Å; L418-K421 HydrophobicContact CD1-CD 4.42Å; L418-K421 HydrophobicContact CD2-CD 4.47Å; L418-K421 PolarHBondContact O-N 3.41Å; L418-A422 VanDerWaalsContact O-CB 3.3Å; L418-A422 WeakPolarHBondContact O-CB 3.33Å; L418-A422 PolarHBondContact O-N 3.44Å
419	F	92.6	Very high	91.4	Very high	21 Å²	21	48.9 Å²	48.9	9%	0.092	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-34.8	-170.9	-67.8	-84.3	0	0	0	112.9	L414 G417 A422 M423 Q444 Y445 H448	L414-F419 HydrophobicContact CD2-CD1 3.38Å; L414-F419 HydrophobicContact CD2-CE1 3.66Å; L414-F419 HydrophobicContact CD2-CG 4.37Å; G417-F419 WeakPolarHBondContact O-CD2 3.37Å; G417-F419 PolarHBondContact O-N 3Å; F419-A422 PolarHBondContact O-N 3.27Å; F419-M423 VanDerWaalsContact O-CB 3.3Å; F419-M423 WeakPolarHBondContact O-CB 3.44Å; F419-M423 PolarHBondContact O-N 2.99Å; F419-Q444 HydrophobicContact CE1-CB 4.27Å; F419-Y445 HydrophobicContact CB-CD1 4.28Å; F419-Y445 HydrophobicContact CB-CD2 3.14Å; F419-Y445 HydrophobicContact CB-CE2 3.62Å; F419-Y445 HydrophobicContact CB-CG 3.52Å; F419-Y445 HydrophobicContact CD1-CD2 4.4Å; F419-Y445 HydrophobicContact CD2-CD2 4.39Å; F419-Y445 AromaticContact CG-CD2 3.78Å; F419-Y445 HydrophobicContact CG-CD2 3.78Å; F419-Y445 HydrophobicContact CG-CE2 4.48Å; F419-Y445 HydrophobicContact CG-CG 4.31Å; F419-H448 HydrophobicContact CD2-CB 4.21Å; F419-H448 AromaticContact CD2-CD2 3.73Å; F419-H448 AromaticContact CD2-CG 3.78Å; F419-H448 HydrophobicContact CE1-CB 4.25Å; F419-H448 HydrophobicContact CE2-CB 3.83Å; F419-H448 AromaticContact CE2-CD2 3.68Å; F419-H448 AromaticContact CE2-CE1 3.59Å; F419-H448 AromaticContact CE2-CG 3.33Å; F419-H448 AromaticContact CE2-ND1 3.29Å; F419-H448 VanDerWaalsContact CE2-ND1 3.29Å; F419-H448 WeakPolarHBondContact CE2-ND1 3.22Å; F419-H448 AromaticContact CE2-NE2 3.86Å; F419-H448 HydrophobicContact CZ-CB 3.86Å; F419-H448 AromaticContact CZ-CG 3.82Å; F419-H448 AromaticContact CZ-ND1 3.77Å
420	N	90.2	Very high	91.3	Very high	33 Å²	33	46.6 Å²	46.6	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-53.8	175.9	58.6	-6.9	0	0	0	111.5	L418 A422 M423 D424	L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 3.14Å; N420-A422 VanDerWaalsContact C-N 3.32Å; N420-A422 PolarHBondContact O-N 2.79Å; N420-M423 WeakPolarHBondContact O-CB 3.49Å; N420-M423 PolarHBondContact O-N 2.81Å; N420-M423 VanDerWaalsContact O-N 3.16Å; N420-D424 PolarHBondContact O-N 3.32Å
421	K	91	Very high	91.1	Very high	116 Å²	116	56 Å²	56	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-40.6	177.7	-67.4	176.8	-177.1	170.7	0	110.6	M413 L418 M423 D424 F425	M413-K421 VanDerWaalsContact SD-C 3.6Å; M413-K421 HydrophobicContact SD-CB 3.82Å; L418-K421 HydrophobicContact CB-CB 4.39Å; L418-K421 HydrophobicContact CD1-CD 4.42Å; L418-K421 HydrophobicContact CD2-CD 4.47Å; L418-K421 PolarHBondContact O-N 3.41Å; K421-M423 VanDerWaalsContact C-N 3.33Å; K421-M423 PolarHBondContact O-N 2.92Å; K421-D424 PolarHBondContact O-N 3.3Å; K421-F425 WeakPolarHBondContact O-CB 3.44Å; K421-F425 PolarHBondContact O-N 3.28Å
422	A	93.3	Very high	90.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-43.5	175.4	0	0	0	0	0	111.7	M413 L414 L418 F419 N420 A426 V441	M413-A422 HydrophobicContact CB-CB 3.73Å; M413-A422 HydrophobicContact SD-CB 4.39Å; L414-A422 HydrophobicContact CD2-CB 3.95Å; L414-A422 HydrophobicContact CG-CB 4.07Å; L418-A422 VanDerWaalsContact O-CB 3.3Å; L418-A422 WeakPolarHBondContact O-CB 3.33Å; L418-A422 PolarHBondContact O-N 3.44Å; F419-A422 PolarHBondContact O-N 3.27Å; N420-A422 VanDerWaalsContact C-N 3.32Å; N420-A422 PolarHBondContact O-N 2.79Å; A422-A426 WeakPolarHBondContact O-CB 3.5Å; A422-A426 PolarHBondContact O-N 3.02Å; A422-V441 HydrophobicContact CB-CG1 4.04Å
423	M	91.5	Very high	91	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-47.4	179.9	-174	63.7	-172.5	0	0	111.8	F419 N420 K421 A426 R427 P438 V441 V465	F419-M423 VanDerWaalsContact O-CB 3.3Å; F419-M423 WeakPolarHBondContact O-CB 3.44Å; F419-M423 PolarHBondContact O-N 2.99Å; N420-M423 WeakPolarHBondContact O-CB 3.49Å; N420-M423 PolarHBondContact O-N 2.81Å; N420-M423 VanDerWaalsContact O-N 3.16Å; K421-M423 VanDerWaalsContact C-N 3.33Å; K421-M423 PolarHBondContact O-N 2.92Å; M423-A426 PolarHBondContact O-N 2.72Å; M423-R427 HydrophobicContact CE-CG 4.11Å; M423-R427 WeakPolarHBondContact O-CG 3.21Å; M423-R427 PolarHBondContact O-N 3.18Å; M423-P438 HydrophobicContact CE-CB 4.23Å; M423-P438 VanDerWaalsContact CE-O 3.28Å; M423-P438 WeakPolarHBondContact CE-O 3.03Å; M423-V441 HydrophobicContact CB-CG1 4.23Å; M423-V441 HydrophobicContact SD-CB 4.24Å; M423-V441 HydrophobicContact SD-CG1 4.11Å; M423-V465 HydrophobicContact CE-CG2 3.82Å; M423-V465 HydrophobicContact SD-CG2 4.49Å
424	D	92	Very high	90.8	Very high	99 Å²	99	64.7 Å²	64.7	53%	0.529	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-44.1	178.5	-72.9	-25.4	0	0	0	111.4	N420 K421 A426 R427 L428	N420-D424 PolarHBondContact O-N 3.32Å; K421-D424 PolarHBondContact O-N 3.3Å; D424-A426 VanDerWaalsContact C-N 3.35Å; D424-A426 PolarHBondContact O-N 3.45Å; D424-R427 PolarHBondContact O-N 3.42Å; D424-L428 PolarHBondContact O-N 3.18Å
425	F	91.9	Very high	90.7	Very high	25 Å²	25	71 Å²	71	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-43.6	175.6	-173.4	-90.6	0	0	0	111.8	N406 R409 V410 M413 K421 R427 L428 H429	N406-F425 HydrophobicContact CB-CE1 3.93Å; N406-F425 HydrophobicContact CB-CZ 4.27Å; R409-F425 HydrophobicContact CG-CE1 4.39Å; R409-F425 HydrophobicContact CG-CZ 4.43Å; V410-F425 HydrophobicContact CG2-CD1 3.65Å; V410-F425 HydrophobicContact CG2-CE1 4.16Å; M413-F425 HydrophobicContact CE-CB 3.8Å; M413-F425 HydrophobicContact CE-CD1 4.07Å; M413-F425 HydrophobicContact CE-CD2 4.09Å; M413-F425 HydrophobicContact CE-CG 3.7Å; M413-F425 HydrophobicContact SD-CB 4.5Å; K421-F425 WeakPolarHBondContact O-CB 3.44Å; K421-F425 PolarHBondContact O-N 3.28Å; F425-R427 VanDerWaalsContact C-N 3.32Å; F425-R427 PolarHBondContact O-N 3.28Å; F425-L428 PolarHBondContact O-N 2.87Å; F425-H429 AromaticContact CD1-ND1 3.97Å; F425-H429 AromaticContact CD2-CE1 3.64Å; F425-H429 AromaticContact CD2-ND1 3.56Å; F425-H429 HydrophobicContact CE1-CB 4.31Å; F425-H429 AromaticContact CE1-ND1 3.8Å; F425-H429 AromaticContact CE2-CE1 3.22Å; F425-H429 WeakPolarHBondContact CE2-CE1 3.42Å; F425-H429 AromaticContact CE2-ND1 3.35Å; F425-H429 VanDerWaalsContact CE2-ND1 3.35Å; F425-H429 WeakPolarHBondContact CE2-ND1 3.47Å; F425-H429 AromaticContact CE2-NE2 3.98Å; F425-H429 AromaticContact CG-ND1 3.86Å; F425-H429 HydrophobicContact CZ-CB 4.5Å; F425-H429 AromaticContact CZ-CE1 3.68Å; F425-H429 AromaticContact CZ-CG 3.86Å; F425-H429 AromaticContact CZ-ND1 3.46Å; F425-H429 WeakPolarHBondContact CZ-ND1 3.4Å; F425-H429 PolarHBondContact O-N 2.7Å; F425-H429 PolarHBondContact O-ND1 3.35Å; F425-H429 VanDerWaalsContact O-ND1 3.09Å
426	A	93.4	Very high	90.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-33.2	179.8	0	0	0	0	0	113	V410 A422 M423 D424 A430 L433 V441	V410-A426 HydrophobicContact CG2-CB 4.34Å; A422-A426 WeakPolarHBondContact O-CB 3.5Å; A422-A426 PolarHBondContact O-N 3.02Å; M423-A426 PolarHBondContact O-N 2.72Å; D424-A426 VanDerWaalsContact C-N 3.35Å; D424-A426 PolarHBondContact O-N 3.45Å; A426-A430 WeakPolarHBondContact O-CA 3.31Å; A426-A430 WeakPolarHBondContact O-CB 3.14Å; A426-A430 PolarHBondContact O-N 2.99Å; A426-A430 VanDerWaalsContact O-N 3.09Å; A426-L433 HydrophobicContact CB-CD1 3.71Å; A426-V441 HydrophobicContact CB-CB 4.36Å; A426-V441 HydrophobicContact CB-CG1 4.49Å; A426-V441 HydrophobicContact CB-CG2 3.95Å
427	R	90.3	Very high	91.1	Very high	134 Å²	134	67.4 Å²	67.4	51%	0.506	34%	0.34	S	S	.	.	H	α-helix	trans	-69.5	-42.6	173.2	-72.2	178.8	72.3	-150.1	1.6	111.9	M423 D424 F425 P438	M423-R427 HydrophobicContact CE-CG 4.11Å; M423-R427 WeakPolarHBondContact O-CG 3.21Å; M423-R427 PolarHBondContact O-N 3.18Å; D424-R427 PolarHBondContact O-N 3.42Å; F425-R427 VanDerWaalsContact C-N 3.32Å; F425-R427 PolarHBondContact O-N 3.28Å; R427-P438 HydrophobicContact CG-CB 4Å; R427-P438 HydrophobicContact CG-CG 4.39Å
428	L	93.4	Very high	91.1	Very high	139 Å²	139	68.1 Å²	68.1	73%	0.728	34%	0.341	S	S	*	.	H	α-helix	trans	-65.8	-39.5	-179.7	-175.6	61	0	0	0	111.9	D424 F425	D424-L428 PolarHBondContact O-N 3.18Å; F425-L428 PolarHBondContact O-N 2.87Å
429	H	90.4	Very high	91	Very high	41 Å²	41	67.4 Å²	67.4	19%	0.19	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	27.1	-176.7	-55.1	85.4	0	0	0	113	F425 Q431 E432 L433	F425-H429 AromaticContact CD1-ND1 3.97Å; F425-H429 AromaticContact CD2-CE1 3.64Å; F425-H429 AromaticContact CD2-ND1 3.56Å; F425-H429 HydrophobicContact CE1-CB 4.31Å; F425-H429 AromaticContact CE1-ND1 3.8Å; F425-H429 AromaticContact CE2-CE1 3.22Å; F425-H429 WeakPolarHBondContact CE2-CE1 3.42Å; F425-H429 AromaticContact CE2-ND1 3.35Å; F425-H429 VanDerWaalsContact CE2-ND1 3.35Å; F425-H429 WeakPolarHBondContact CE2-ND1 3.47Å; F425-H429 AromaticContact CE2-NE2 3.98Å; F425-H429 AromaticContact CG-ND1 3.86Å; F425-H429 HydrophobicContact CZ-CB 4.5Å; F425-H429 AromaticContact CZ-CE1 3.68Å; F425-H429 AromaticContact CZ-CG 3.86Å; F425-H429 AromaticContact CZ-ND1 3.46Å; F425-H429 WeakPolarHBondContact CZ-ND1 3.4Å; F425-H429 PolarHBondContact O-N 2.7Å; F425-H429 PolarHBondContact O-ND1 3.35Å; F425-H429 VanDerWaalsContact O-ND1 3.09Å; H429-Q431 PolarHBondContact O-N 3.31Å; H429-E432 HydrophobicContact CB-CB 4.48Å; H429-E432 IonicContact CD2-OE1 3.02Å; H429-E432 IonicContact CD2-OE2 3.99Å; H429-E432 PolarHBondContact O-N 2.97Å; H429-L433 PolarHBondContact O-N 2.81Å
430	A	88.7	Confident	90.9	Very high	43 Å²	43	68 Å²	68	36%	0.355	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.8	-171.5	0	0	0	0	0	114.3	A426 P438	A426-A430 WeakPolarHBondContact O-CA 3.31Å; A426-A430 WeakPolarHBondContact O-CB 3.14Å; A426-A430 PolarHBondContact O-N 2.99Å; A426-A430 VanDerWaalsContact O-N 3.09Å; A430-P438 HydrophobicContact CB-CG 3.83Å
431	Q	89.7	Confident	91.1	Very high	198 Å²	198	66.5 Å²	66.5	93%	0.925	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.9	179.4	-63.6	179.7	-1	0	0	113.4	H429	H429-Q431 PolarHBondContact O-N 3.31Å
432	E	88	Confident	91.1	Very high	120 Å²	120	61 Å²	61	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-12.3	-177.4	-62.2	172.4	-144.8	0	0	112.1	N406 H429	N406-E432 PolarHBondContact ND2-OE2 3.21Å; H429-E432 HydrophobicContact CB-CB 4.48Å; H429-E432 IonicContact CD2-OE1 3.02Å; H429-E432 IonicContact CD2-OE2 3.99Å; H429-E432 PolarHBondContact O-N 2.97Å
433	L	90.6	Very high	91.1	Very high	18 Å²	18	67.1 Å²	67.1	9%	0.094	34%	0.338	C	S	.	.			trans	-84.8	135.5	177.4	-63.1	176.9	0	0	0	111.2	N406 D407 V410 A426 H429 Y436	N406-L433 VanDerWaalsContact C-CD2 3.47Å; N406-L433 HydrophobicContact CB-CD2 3.73Å; D407-L433 HydrophobicContact CB-CD2 4.47Å; V410-L433 HydrophobicContact CG2-CD1 4.21Å; V410-L433 HydrophobicContact CG2-CD2 3.96Å; A426-L433 HydrophobicContact CB-CD1 3.71Å; H429-L433 PolarHBondContact O-N 2.81Å; L433-Y436 VanDerWaalsContact CB-O 3.25Å; L433-Y436 WeakPolarHBondContact CB-O 3.31Å
434	T	89.8	Confident	91.1	Very high	127 Å²	127	70.6 Å²	70.6	78%	0.779	35%	0.354	S	S	*	.	S	Bend	trans	-116.5	-32.5	-178.8	61.6	0	0	0	0	112.7	D407	D407-T434 PolarHBondContact OD1-N 3.36Å; D407-T434 PolarHBondContact OD2-N 3.45Å; D407-T434 PolarHBondContact OD2-OG1 3.19Å
435	K	91.1	Very high	91.3	Very high	147 Å²	147	67 Å²	67	64%	0.639	33%	0.333	S	S	*	.	S	Bend	trans	-95.2	-42.1	179.7	-177.7	-172	174.9	-159	0	111.2	D407	D407-K435 HydrophobicContact CB-CB 4.15Å; D407-K435 VanDerWaalsContact CG-N 3.33Å; D407-K435 WeakPolarHBondContact OD1-CA 3.28Å; D407-K435 WeakPolarHBondContact OD1-CB 3.48Å; D407-K435 PolarHBondContact OD1-N 3.02Å; D407-K435 PolarHBondContact OD2-N 3.43Å
436	Y	92.7	Very high	91.3	Very high	37 Å²	37	65.8 Å²	65.8	15%	0.145	33%	0.328	C	S	.	.			trans	-100.6	155.1	179.3	-64.9	-79.5	0	0	0	111.4	D407 V410 L414 L433 V441	D407-Y436 HydrophobicContact CB-CD2 4.17Å; D407-Y436 WeakPolarHBondContact O-CD2 3.48Å; D407-Y436 VanDerWaalsContact O-CE2 3.26Å; D407-Y436 WeakPolarHBondContact O-CE2 3.41Å; D407-Y436 PolarHBondContact OD1-N 2.87Å; V410-Y436 HydrophobicContact CB-CD2 4.08Å; V410-Y436 HydrophobicContact CB-CG 4.39Å; V410-Y436 HydrophobicContact CG1-CD1 4.13Å; V410-Y436 HydrophobicContact CG1-CD2 3.87Å; V410-Y436 HydrophobicContact CG1-CE2 4.41Å; V410-Y436 HydrophobicContact CG1-CG 3.72Å; L414-Y436 HydrophobicContact CD1-CD1 4.13Å; L414-Y436 HydrophobicContact CD1-CE1 3.74Å; L433-Y436 VanDerWaalsContact CB-O 3.25Å; L433-Y436 WeakPolarHBondContact CB-O 3.31Å; Y436-V441 HydrophobicContact CD1-CG2 4.15Å; Y436-V441 HydrophobicContact CG-CG2 4.34Å
437	S	91.4	Very high	91.3	Very high	49 Å²	49	69.1 Å²	69.1	34%	0.343	34%	0.344	S	S	.	.			trans	-133.7	157.1	169	69.8	0	0	0	0	108.6	A439 S440 V441	S437-A439 PolarHBondContact O-N 2.98Å; S437-A439 VanDerWaalsContact O-N 3.09Å; S437-S440 PolarHBondContact N-OG 3.04Å; S437-S440 PolarHBondContact O-N 3.36Å; S437-S440 PolarHBondContact O-OG 3.32Å; S437-S440 PolarHBondContact OG-N 3.22Å; S437-S440 VanDerWaalsContact OG-N 3.15Å; S437-S440 PolarHBondContact OG-OG 3.12Å; S437-V441 WeakPolarHBondContact O-CG2 3.25Å; S437-V441 PolarHBondContact O-N 3.05Å
438	P	89.5	Confident	91.4	Very high	37 Å²	37	65.7 Å²	65.7	24%	0.24	33%	0.333	C	S	.	.	H	α-helix	trans	-51.2	-37.1	174.9	-27.6	34.4	0	0	0	112.3	M423 R427 A430 G442	M423-P438 HydrophobicContact CE-CB 4.23Å; M423-P438 VanDerWaalsContact CE-O 3.28Å; M423-P438 WeakPolarHBondContact CE-O 3.03Å; R427-P438 HydrophobicContact CG-CB 4Å; R427-P438 HydrophobicContact CG-CG 4.39Å; A430-P438 HydrophobicContact CB-CG 3.83Å; P438-G442 PolarHBondContact O-N 3.08Å
439	A	89	Confident	91.5	Very high	22 Å²	22	59 Å²	59	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-67.8	-41.6	176.1	0	0	0	0	0	113	S437 R443	S437-A439 PolarHBondContact O-N 2.98Å; S437-A439 VanDerWaalsContact O-N 3.09Å; A439-R443 VanDerWaalsContact O-CG 3.28Å; A439-R443 WeakPolarHBondContact O-CG 3.39Å; A439-R443 PolarHBondContact O-N 3.35Å
440	S	91.5	Very high	91.6	Very high	34 Å²	34	57.5 Å²	57.5	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-74.5	-34	-179.4	72.8	0	0	0	0	113.1	S437 Q444	S437-S440 PolarHBondContact N-OG 3.04Å; S437-S440 PolarHBondContact O-N 3.36Å; S437-S440 PolarHBondContact O-OG 3.32Å; S437-S440 PolarHBondContact OG-N 3.22Å; S437-S440 VanDerWaalsContact OG-N 3.15Å; S437-S440 PolarHBondContact OG-OG 3.12Å; S440-Q444 PolarHBondContact O-N 2.83Å; S440-Q444 PolarHBondContact O-NE2 3.2Å
441	V	93.3	Very high	91.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-47.9	171	177.3	0	0	0	0	109.5	V410 L414 A422 M423 A426 Y436 S437 R443 Q444 Y445	V410-V441 HydrophobicContact CG1-CG2 3.61Å; L414-V441 HydrophobicContact CD2-CG1 4.2Å; A422-V441 HydrophobicContact CB-CG1 4.04Å; M423-V441 HydrophobicContact CB-CG1 4.23Å; M423-V441 HydrophobicContact SD-CB 4.24Å; M423-V441 HydrophobicContact SD-CG1 4.11Å; A426-V441 HydrophobicContact CB-CB 4.36Å; A426-V441 HydrophobicContact CB-CG1 4.49Å; A426-V441 HydrophobicContact CB-CG2 3.95Å; Y436-V441 HydrophobicContact CD1-CG2 4.15Å; Y436-V441 HydrophobicContact CG-CG2 4.34Å; S437-V441 WeakPolarHBondContact O-CG2 3.25Å; S437-V441 PolarHBondContact O-N 3.05Å; V441-R443 VanDerWaalsContact C-N 3.31Å; V441-R443 PolarHBondContact O-N 2.91Å; V441-Q444 PolarHBondContact O-N 3.37Å; V441-Q444 VanDerWaalsContact O-N 3.11Å; V441-Y445 PolarHBondContact O-N 2.79Å
442	G	92.1	Very high	91.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-38.6	176	0	0	0	0	0	114	P438 Y445 L446	P438-G442 PolarHBondContact O-N 3.08Å; G442-Y445 PolarHBondContact O-N 2.95Å; G442-L446 WeakPolarHBondContact O-CB 3.49Å; G442-L446 WeakPolarHBondContact O-CG 3.4Å; G442-L446 PolarHBondContact O-N 3.5Å
443	R	92	Very high	91.9	Very high	130 Å²	130	51 Å²	51	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-44	173.7	-77.5	173.6	-175.2	177.1	3	112.8	A439 V441 Y445 L446 E447 M472 Y476	A439-R443 VanDerWaalsContact O-CG 3.28Å; A439-R443 WeakPolarHBondContact O-CG 3.39Å; A439-R443 PolarHBondContact O-N 3.35Å; V441-R443 VanDerWaalsContact C-N 3.31Å; V441-R443 PolarHBondContact O-N 2.91Å; R443-Y445 VanDerWaalsContact C-N 3.34Å; R443-L446 PolarHBondContact O-N 3.14Å; R443-E447 PolarHBondContact O-N 3.32Å; R443-M472 HydrophobicContact CG-CE 3.67Å; R443-M472 VanDerWaalsContact CZ-SD 3.59Å; R443-M472 PolarHBondContact NE-SD 3.39Å; R443-M472 PolarHBondContact NH2-SD 3.03Å; R443-Y476 WeakPolarHBondContact CA-OH 3.24Å; R443-Y476 WeakPolarHBondContact CG-OH 3.49Å
444	Q	93.3	Very high	92.1	Very high	83 Å²	83	53.9 Å²	53.9	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-39.3	176.9	-72.8	172.3	86.8	0	0	111.4	F419 S440 V441 E447 H448	F419-Q444 HydrophobicContact CE1-CB 4.27Å; S440-Q444 PolarHBondContact O-N 2.83Å; S440-Q444 PolarHBondContact O-NE2 3.2Å; V441-Q444 PolarHBondContact O-N 3.37Å; V441-Q444 VanDerWaalsContact O-N 3.11Å; Q444-E447 PolarHBondContact O-N 3.38Å; Q444-H448 WeakPolarHBondContact O-CB 3.37Å; Q444-H448 PolarHBondContact O-N 3.32Å
445	Y	94.7	Very high	92.3	Very high	22 Å²	22	50.6 Å²	50.6	9%	0.086	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-45.9	176.1	-173.9	-161.7	0	0	0	112.1	F419 V441 G442 R443 H448 L449 V461	F419-Y445 HydrophobicContact CB-CD1 4.28Å; F419-Y445 HydrophobicContact CB-CD2 3.14Å; F419-Y445 HydrophobicContact CB-CE2 3.62Å; F419-Y445 HydrophobicContact CB-CG 3.52Å; F419-Y445 HydrophobicContact CD1-CD2 4.4Å; F419-Y445 HydrophobicContact CD2-CD2 4.39Å; F419-Y445 AromaticContact CG-CD2 3.78Å; F419-Y445 HydrophobicContact CG-CD2 3.78Å; F419-Y445 HydrophobicContact CG-CE2 4.48Å; F419-Y445 HydrophobicContact CG-CG 4.31Å; V441-Y445 PolarHBondContact O-N 2.79Å; G442-Y445 PolarHBondContact O-N 2.95Å; R443-Y445 VanDerWaalsContact C-N 3.34Å; Y445-H448 WeakPolarHBondContact O-CB 3.4Å; Y445-H448 PolarHBondContact O-N 3.34Å; Y445-L449 HydrophobicContact CD2-CD1 3.88Å; Y445-L449 HydrophobicContact CD2-CD2 4.44Å; Y445-L449 HydrophobicContact CD2-CG 3.8Å; Y445-L449 HydrophobicContact CE1-CD1 4.29Å; Y445-L449 HydrophobicContact CE2-CD1 3.53Å; Y445-L449 HydrophobicContact CE2-CD2 3.76Å; Y445-L449 HydrophobicContact CE2-CG 3.55Å; Y445-L449 HydrophobicContact CG-CD1 4.42Å; Y445-L449 WeakPolarHBondContact O-CG 3.27Å; Y445-L449 PolarHBondContact O-N 3.17Å; Y445-V461 HydrophobicContact CD1-CB 4.39Å; Y445-V461 HydrophobicContact CD1-CG1 3.51Å; Y445-V461 HydrophobicContact CD1-CG2 3.95Å; Y445-V461 HydrophobicContact CE1-CB 4.31Å; Y445-V461 HydrophobicContact CE1-CG1 3.88Å; Y445-V461 HydrophobicContact CE1-CG2 3.4Å; Y445-V461 HydrophobicContact CG-CG1 4.24Å
446	L	93.3	Very high	92.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-44.9	176.8	-77.5	168.3	0	0	0	111.9	G442 R443 H448 L449 L450 A458 V461 C462 V465 Y476	G442-L446 WeakPolarHBondContact O-CB 3.49Å; G442-L446 WeakPolarHBondContact O-CG 3.4Å; G442-L446 PolarHBondContact O-N 3.5Å; R443-L446 PolarHBondContact O-N 3.14Å; L446-H448 VanDerWaalsContact C-N 3.3Å; L446-H448 PolarHBondContact O-N 3.25Å; L446-L449 PolarHBondContact O-N 3.25Å; L446-L450 WeakPolarHBondContact O-CB 3.18Å; L446-L450 WeakPolarHBondContact O-CG 3.21Å; L446-L450 PolarHBondContact O-N 3.11Å; L446-A458 HydrophobicContact CD2-CB 4.2Å; L446-A458 WeakPolarHBondContact CD2-O 3.5Å; L446-V461 HydrophobicContact CD2-CB 3.87Å; L446-V461 HydrophobicContact CD2-CG1 3.76Å; L446-V461 HydrophobicContact CG-CB 4.49Å; L446-V461 HydrophobicContact CG-CG1 3.84Å; L446-C462 HydrophobicContact CD2-CB 4.18Å; L446-V465 HydrophobicContact CD1-CB 3.88Å; L446-V465 HydrophobicContact CD1-CG1 3.97Å; L446-V465 HydrophobicContact CD1-CG2 4.01Å; L446-V465 HydrophobicContact CG-CG2 4.48Å; L446-Y476 HydrophobicContact CB-CE1 3.78Å; L446-Y476 HydrophobicContact CD1-CD1 4.37Å; L446-Y476 HydrophobicContact CD1-CD2 4.05Å; L446-Y476 HydrophobicContact CD1-CE1 3.81Å; L446-Y476 HydrophobicContact CD1-CE2 3.41Å; L446-Y476 VanDerWaalsContact CD1-CE2 3.41Å; L446-Y476 HydrophobicContact CD1-CG 4.49Å; L446-Y476 WeakPolarHBondContact CD1-OH 3.42Å; L446-Y476 HydrophobicContact CG-CE1 4.34Å
447	E	92.6	Very high	92.2	Very high	70 Å²	70	46.8 Å²	46.8	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-40.5	177	-167.8	64.1	-166.5	0	0	111.2	R443 Q444 L450 V451 R479	R443-E447 PolarHBondContact O-N 3.32Å; Q444-E447 PolarHBondContact O-N 3.38Å; E447-L450 PolarHBondContact O-N 2.97Å; E447-V451 HydrophobicContact CG-CG2 4.39Å; E447-V451 WeakPolarHBondContact O-CB 3.42Å; E447-V451 VanDerWaalsContact O-CG2 3.24Å; E447-V451 WeakPolarHBondContact O-CG2 3.5Å; E447-V451 PolarHBondContact O-N 2.94Å; E447-R479 IonicContact OE1-NH2 3.59Å; E447-R479 PolarHBondContact OE1-NH2 3.15Å; E447-R479 VanDerWaalsContact OE1-NH2 3.13Å; E447-R479 IonicContact OE2-NE 2.79Å
448	H	93	Very high	92.3	Very high	62 Å²	62	44.5 Å²	44.5	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-60.2	-47.6	174.8	178.4	87.7	0	0	0	112.4	F419 Q444 Y445 L446 N452	F419-H448 HydrophobicContact CD2-CB 4.21Å; F419-H448 AromaticContact CD2-CD2 3.73Å; F419-H448 AromaticContact CD2-CG 3.78Å; F419-H448 HydrophobicContact CE1-CB 4.25Å; F419-H448 HydrophobicContact CE2-CB 3.83Å; F419-H448 AromaticContact CE2-CD2 3.68Å; F419-H448 AromaticContact CE2-CE1 3.59Å; F419-H448 AromaticContact CE2-CG 3.33Å; F419-H448 AromaticContact CE2-ND1 3.29Å; F419-H448 VanDerWaalsContact CE2-ND1 3.29Å; F419-H448 WeakPolarHBondContact CE2-ND1 3.22Å; F419-H448 AromaticContact CE2-NE2 3.86Å; F419-H448 HydrophobicContact CZ-CB 3.86Å; F419-H448 AromaticContact CZ-CG 3.82Å; F419-H448 AromaticContact CZ-ND1 3.77Å; Q444-H448 WeakPolarHBondContact O-CB 3.37Å; Q444-H448 PolarHBondContact O-N 3.32Å; Y445-H448 WeakPolarHBondContact O-CB 3.4Å; Y445-H448 PolarHBondContact O-N 3.34Å; L446-H448 VanDerWaalsContact C-N 3.3Å; L446-H448 PolarHBondContact O-N 3.25Å; H448-N452 PolarHBondContact CE1-ND2 3.37Å; H448-N452 PolarHBondContact NE2-ND2 3.41Å; H448-N452 WeakPolarHBondContact O-CB 3.35Å; H448-N452 PolarHBondContact O-N 3.26Å; H448-N452 VanDerWaalsContact O-N 3.07Å; H448-N452 PolarHBondContact O-ND2 3.48Å
449	L	93.8	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-40	179.1	-69.6	175.2	0	0	0	112.4	Y445 L446 N452 G453 R454 E457 A458 V461	Y445-L449 HydrophobicContact CD2-CD1 3.88Å; Y445-L449 HydrophobicContact CD2-CD2 4.44Å; Y445-L449 HydrophobicContact CD2-CG 3.8Å; Y445-L449 HydrophobicContact CE1-CD1 4.29Å; Y445-L449 HydrophobicContact CE2-CD1 3.53Å; Y445-L449 HydrophobicContact CE2-CD2 3.76Å; Y445-L449 HydrophobicContact CE2-CG 3.55Å; Y445-L449 HydrophobicContact CG-CD1 4.42Å; Y445-L449 WeakPolarHBondContact O-CG 3.27Å; Y445-L449 PolarHBondContact O-N 3.17Å; L446-L449 PolarHBondContact O-N 3.25Å; L449-N452 PolarHBondContact O-N 3.39Å; L449-G453 PolarHBondContact O-N 2.91Å; L449-G453 VanDerWaalsContact O-N 3.15Å; L449-R454 HydrophobicContact CB-CB 4.45Å; L449-R454 HydrophobicContact CD2-CB 3.91Å; L449-R454 PolarHBondContact O-N 3Å; L449-E457 HydrophobicContact CD1-CB 4.29Å; L449-E457 HydrophobicContact CD2-CB 4.48Å; L449-A458 HydrophobicContact CB-CB 3.88Å; L449-A458 HydrophobicContact CD1-CB 4.32Å; L449-V461 HydrophobicContact CD1-CB 4.24Å; L449-V461 HydrophobicContact CD1-CG2 3.81Å
450	L	92.6	Very high	92.5	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-44	179.2	-71.4	175.9	0	0	0	111.8	L446 E447 N452 G453 Y455 A458 Y476 R479 F480 I483	L446-L450 WeakPolarHBondContact O-CB 3.18Å; L446-L450 WeakPolarHBondContact O-CG 3.21Å; L446-L450 PolarHBondContact O-N 3.11Å; E447-L450 PolarHBondContact O-N 2.97Å; L450-N452 VanDerWaalsContact C-N 3.29Å; L450-N452 PolarHBondContact O-N 3.28Å; L450-G453 PolarHBondContact O-N 3.48Å; L450-Y455 HydrophobicContact CD2-CD1 4.18Å; L450-A458 HydrophobicContact CD2-CB 3.91Å; L450-A458 HydrophobicContact CG-CB 4.3Å; L450-Y476 HydrophobicContact CD1-CD1 4.36Å; L450-Y476 HydrophobicContact CD1-CE1 4.43Å; L450-R479 HydrophobicContact CD1-CG 3.85Å; L450-F480 HydrophobicContact CD2-CD2 4.25Å; L450-F480 HydrophobicContact CD2-CE1 4.2Å; L450-F480 HydrophobicContact CD2-CE2 3.8Å; L450-F480 HydrophobicContact CD2-CZ 3.78Å; L450-I483 HydrophobicContact CB-CD1 4.25Å; L450-I483 HydrophobicContact CD1-CD1 4.4Å; L450-I483 HydrophobicContact CD2-CD1 3.94Å; L450-I483 HydrophobicContact CG-CD1 4.43Å
451	V	91.4	Very high	92.4	Very high	104 Å²	104	45.1 Å²	45.1	63%	0.63	23%	0.229	S	C	*	.	H	α-helix	trans	-63.6	-37.2	176.3	170.5	0	0	0	0	111.2	E447 G453	E447-V451 HydrophobicContact CG-CG2 4.39Å; E447-V451 WeakPolarHBondContact O-CB 3.42Å; E447-V451 VanDerWaalsContact O-CG2 3.24Å; E447-V451 WeakPolarHBondContact O-CG2 3.5Å; E447-V451 PolarHBondContact O-N 2.94Å; V451-G453 VanDerWaalsContact C-N 3.28Å; V451-G453 PolarHBondContact O-N 2.96Å
452	N	91.8	Very high	92.3	Very high	89 Å²	89	45.1 Å²	45.1	48%	0.476	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4	179.5	-69.3	-17.8	0	0	0	114.3	H448 L449 L450 R454	H448-N452 PolarHBondContact CE1-ND2 3.37Å; H448-N452 PolarHBondContact NE2-ND2 3.41Å; H448-N452 WeakPolarHBondContact O-CB 3.35Å; H448-N452 PolarHBondContact O-N 3.26Å; H448-N452 VanDerWaalsContact O-N 3.07Å; H448-N452 PolarHBondContact O-ND2 3.48Å; L449-N452 PolarHBondContact O-N 3.39Å; L450-N452 VanDerWaalsContact C-N 3.29Å; L450-N452 PolarHBondContact O-N 3.28Å; N452-R454 VanDerWaalsContact C-N 3.29Å; N452-R454 PolarHBondContact O-N 3.44Å
453	G	91.1	Very high	92.2	Very high	32 Å²	32	50.3 Å²	50.3	33%	0.33	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	12.1	176.2	0	0	0	0	0	115.6	L449 L450 V451 Y455	L449-G453 PolarHBondContact O-N 2.91Å; L449-G453 VanDerWaalsContact O-N 3.15Å; L450-G453 PolarHBondContact O-N 3.48Å; V451-G453 VanDerWaalsContact C-N 3.28Å; V451-G453 PolarHBondContact O-N 2.96Å; G453-Y455 VanDerWaalsContact C-N 3.26Å; G453-Y455 WeakPolarHBondContact O-CD2 3.24Å; G453-Y455 WeakPolarHBondContact O-CE2 3.5Å; G453-Y455 PolarHBondContact O-N 2.71Å
454	R	93.7	Very high	92	Very high	78 Å²	78	48.1 Å²	48.1	29%	0.294	25%	0.25	S	S	.	.			trans	-85.4	63.2	179.8	-66.4	177	73.8	176.8	7.7	110.8	L449 N452 A456 E457 A458	L449-R454 HydrophobicContact CB-CB 4.45Å; L449-R454 HydrophobicContact CD2-CB 3.91Å; L449-R454 PolarHBondContact O-N 3Å; N452-R454 VanDerWaalsContact C-N 3.29Å; N452-R454 PolarHBondContact O-N 3.44Å; R454-A456 PolarHBondContact O-N 3.02Å; R454-E457 IonicContact CZ-OE1 3.37Å; R454-E457 IonicContact CZ-OE2 3.78Å; R454-E457 VanDerWaalsContact CZ-OE2 3.25Å; R454-E457 IonicContact NE-OE1 2.79Å; R454-E457 PolarHBondContact NE-OE1 3.37Å; R454-E457 IonicContact NE-OE2 3.13Å; R454-E457 PolarHBondContact NE-OE2 3.35Å; R454-E457 IonicContact NH2-OE1 2.71Å; R454-E457 PolarHBondContact NH2-OE1 3.1Å; R454-E457 IonicContact NH2-OE2 3.25Å; R454-E457 PolarHBondContact NH2-OE2 3.13Å; R454-E457 PolarHBondContact O-N 3.29Å; R454-A458 WeakPolarHBondContact O-CB 3.27Å; R454-A458 PolarHBondContact O-N 3Å
455	Y	93.5	Very high	91.7	Very high	59 Å²	59	44.6 Å²	44.6	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-37.4	-168.7	-51.2	-55.2	0	0	0	114.6	L450 G453 E457 A458 A459 I483 Q485	L450-Y455 HydrophobicContact CD2-CD1 4.18Å; G453-Y455 VanDerWaalsContact C-N 3.26Å; G453-Y455 WeakPolarHBondContact O-CD2 3.24Å; G453-Y455 WeakPolarHBondContact O-CE2 3.5Å; G453-Y455 PolarHBondContact O-N 2.71Å; Y455-E457 VanDerWaalsContact C-N 3.34Å; Y455-E457 PolarHBondContact O-N 3.31Å; Y455-A458 PolarHBondContact O-N 3.39Å; Y455-A459 PolarHBondContact O-N 2.64Å; Y455-I483 HydrophobicContact CD1-CG2 4.45Å; Y455-I483 HydrophobicContact CE1-CG2 3.67Å; Y455-Q485 HydrophobicContact CD1-CB 4.5Å; Y455-Q485 HydrophobicContact CD1-CG 4.3Å; Y455-Q485 HydrophobicContact CD2-CB 4.38Å; Y455-Q485 HydrophobicContact CD2-CG 3.71Å; Y455-Q485 HydrophobicContact CE1-CG 4.38Å; Y455-Q485 HydrophobicContact CE2-CG 3.78Å; Y455-Q485 HydrophobicContact CG-CB 4.21Å; Y455-Q485 HydrophobicContact CG-CG 3.98Å
456	A	91	Very high	91.4	Very high	53 Å²	53	43.7 Å²	43.7	44%	0.438	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-42	178.4	0	0	0	0	0	111.6	R454 A459 M460	R454-A456 PolarHBondContact O-N 3.02Å; A456-A459 PolarHBondContact O-N 3.24Å; A456-M460 PolarHBondContact O-N 2.85Å
457	E	90.9	Very high	91.1	Very high	51 Å²	51	45.5 Å²	45.5	24%	0.238	25%	0.25	C	S	.	.	H	α-helix	trans	-70.6	-40.2	175.9	-64.5	178.7	-115.9	0	0	111.6	L449 R454 Y455 A459 M460 V461	L449-E457 HydrophobicContact CD1-CB 4.29Å; L449-E457 HydrophobicContact CD2-CB 4.48Å; R454-E457 IonicContact CZ-OE1 3.37Å; R454-E457 IonicContact CZ-OE2 3.78Å; R454-E457 VanDerWaalsContact CZ-OE2 3.25Å; R454-E457 IonicContact NE-OE1 2.79Å; R454-E457 PolarHBondContact NE-OE1 3.37Å; R454-E457 IonicContact NE-OE2 3.13Å; R454-E457 PolarHBondContact NE-OE2 3.35Å; R454-E457 IonicContact NH2-OE1 2.71Å; R454-E457 PolarHBondContact NH2-OE1 3.1Å; R454-E457 IonicContact NH2-OE2 3.25Å; R454-E457 PolarHBondContact NH2-OE2 3.13Å; R454-E457 PolarHBondContact O-N 3.29Å; Y455-E457 VanDerWaalsContact C-N 3.34Å; Y455-E457 PolarHBondContact O-N 3.31Å; E457-A459 PolarHBondContact O-N 3.37Å; E457-M460 HydrophobicContact CB-CE 4.37Å; E457-M460 HydrophobicContact CG-CE 4.02Å; E457-M460 PolarHBondContact O-N 2.82Å; E457-M460 VanDerWaalsContact O-N 3.16Å; E457-V461 WeakPolarHBondContact O-CG2 3.46Å; E457-V461 PolarHBondContact O-N 2.98Å
458	A	93.4	Very high	90.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-38.9	173.4	0	0	0	0	0	111.5	L446 L449 L450 R454 Y455 V461 C462 F480	L446-A458 HydrophobicContact CD2-CB 4.2Å; L446-A458 WeakPolarHBondContact CD2-O 3.5Å; L449-A458 HydrophobicContact CB-CB 3.88Å; L449-A458 HydrophobicContact CD1-CB 4.32Å; L450-A458 HydrophobicContact CD2-CB 3.91Å; L450-A458 HydrophobicContact CG-CB 4.3Å; R454-A458 WeakPolarHBondContact O-CB 3.27Å; R454-A458 PolarHBondContact O-N 3Å; Y455-A458 PolarHBondContact O-N 3.39Å; A458-V461 PolarHBondContact O-N 3.37Å; A458-C462 VanDerWaalsContact O-CB 3.26Å; A458-C462 WeakPolarHBondContact O-CB 3.48Å; A458-C462 PolarHBondContact O-N 3.04Å; A458-F480 HydrophobicContact CB-CZ 3.78Å
459	A	92	Very high	90.6	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-44.3	176.4	0	0	0	0	0	112.5	Y455 A456 E457 C462 Q463 F480 H488 L489	Y455-A459 PolarHBondContact O-N 2.64Å; A456-A459 PolarHBondContact O-N 3.24Å; E457-A459 PolarHBondContact O-N 3.37Å; A459-C462 WeakPolarHBondContact O-CB 3.31Å; A459-C462 PolarHBondContact O-N 2.93Å; A459-Q463 PolarHBondContact O-N 2.88Å; A459-F480 HydrophobicContact CB-CZ 4.41Å; A459-H488 HydrophobicContact CB-CB 4.07Å; A459-H488 VanDerWaalsContact CB-O 3.24Å; A459-H488 WeakPolarHBondContact CB-O 3.21Å; A459-L489 HydrophobicContact CB-CD2 3.89Å
460	M	91	Very high	90.4	Very high	93 Å²	93	57.4 Å²	57.4	46%	0.458	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-44.4	175.4	-66.5	-171.9	-69.8	0	0	111.8	A456 E457 C462 Q463 L464	A456-M460 PolarHBondContact O-N 2.85Å; E457-M460 HydrophobicContact CB-CE 4.37Å; E457-M460 HydrophobicContact CG-CE 4.02Å; E457-M460 PolarHBondContact O-N 2.82Å; E457-M460 VanDerWaalsContact O-N 3.16Å; M460-C462 VanDerWaalsContact C-N 3.27Å; M460-C462 PolarHBondContact O-N 2.82Å; M460-Q463 VanDerWaalsContact O-CB 3.3Å; M460-Q463 WeakPolarHBondContact O-CB 3.41Å; M460-Q463 PolarHBondContact O-N 3.49Å; M460-L464 PolarHBondContact O-N 3.29Å
461	V	90.6	Very high	90.3	Very high	12 Å²	12	63.1 Å²	63.1	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-34.8	176.6	175.7	0	0	0	0	110.7	Y445 L446 L449 E457 A458 Q463 L464 V465	Y445-V461 HydrophobicContact CD1-CB 4.39Å; Y445-V461 HydrophobicContact CD1-CG1 3.51Å; Y445-V461 HydrophobicContact CD1-CG2 3.95Å; Y445-V461 HydrophobicContact CE1-CB 4.31Å; Y445-V461 HydrophobicContact CE1-CG1 3.88Å; Y445-V461 HydrophobicContact CE1-CG2 3.4Å; Y445-V461 HydrophobicContact CG-CG1 4.24Å; L446-V461 HydrophobicContact CD2-CB 3.87Å; L446-V461 HydrophobicContact CD2-CG1 3.76Å; L446-V461 HydrophobicContact CG-CB 4.49Å; L446-V461 HydrophobicContact CG-CG1 3.84Å; L449-V461 HydrophobicContact CD1-CB 4.24Å; L449-V461 HydrophobicContact CD1-CG2 3.81Å; E457-V461 WeakPolarHBondContact O-CG2 3.46Å; E457-V461 PolarHBondContact O-N 2.98Å; A458-V461 PolarHBondContact O-N 3.37Å; V461-Q463 VanDerWaalsContact C-N 3.26Å; V461-Q463 PolarHBondContact O-N 2.94Å; V461-L464 WeakPolarHBondContact O-CB 3.5Å; V461-L464 PolarHBondContact O-N 3.28Å; V461-V465 HydrophobicContact CG1-CG2 3.69Å; V461-V465 WeakPolarHBondContact O-CB 3.34Å; V461-V465 VanDerWaalsContact O-CG2 3.27Å; V461-V465 WeakPolarHBondContact O-CG2 3.42Å; V461-V465 PolarHBondContact O-N 3Å
462	C	90.9	Very high	90.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-39.1	176.9	-166.4	0	0	0	0	111.2	L446 A458 A459 M460 L464 V465 C466 W473 L489	L446-C462 HydrophobicContact CD2-CB 4.18Å; A458-C462 VanDerWaalsContact O-CB 3.26Å; A458-C462 WeakPolarHBondContact O-CB 3.48Å; A458-C462 PolarHBondContact O-N 3.04Å; A459-C462 WeakPolarHBondContact O-CB 3.31Å; A459-C462 PolarHBondContact O-N 2.93Å; M460-C462 VanDerWaalsContact C-N 3.27Å; M460-C462 PolarHBondContact O-N 2.82Å; C462-L464 VanDerWaalsContact C-N 3.32Å; C462-L464 PolarHBondContact O-N 2.94Å; C462-V465 PolarHBondContact O-N 2.94Å; C462-C466 VanDerWaalsContact O-CB 3.23Å; C462-C466 WeakPolarHBondContact O-CB 3.32Å; C462-C466 PolarHBondContact O-N 3.34Å; C462-C466 PolarHBondContact O-SG 3.34Å; C462-C466 VanDerWaalsContact O-SG 3.35Å; C462-W473 HydrophobicContact CB-CZ3 4.46Å; C462-L489 HydrophobicContact CB-CD2 4.38Å
463	Q	89.1	Confident	90.3	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-45.6	173.5	-157.4	179.5	4.9	0	0	112.3	A459 M460 V461 G467 W473 V492	A459-Q463 PolarHBondContact O-N 2.88Å; M460-Q463 VanDerWaalsContact O-CB 3.3Å; M460-Q463 WeakPolarHBondContact O-CB 3.41Å; M460-Q463 PolarHBondContact O-N 3.49Å; V461-Q463 VanDerWaalsContact C-N 3.26Å; V461-Q463 PolarHBondContact O-N 2.94Å; Q463-G467 PolarHBondContact O-N 2.99Å; Q463-W473 HydrophobicContact CB-CH2 4.41Å; Q463-W473 HydrophobicContact CB-CZ2 4.5Å; Q463-W473 HydrophobicContact CG-CZ2 4.41Å; Q463-V492 HydrophobicContact CB-CG1 3.47Å; Q463-V492 VanDerWaalsContact CB-CG1 3.47Å; Q463-V492 HydrophobicContact CG-CG1 3.64Å
464	L	87.6	Confident	90.5	Very high	83 Å²	83	54.9 Å²	54.9	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-70.4	-40.2	-177.6	-65.2	171.6	0	0	0	112	M460 V461 C462	M460-L464 PolarHBondContact O-N 3.29Å; V461-L464 WeakPolarHBondContact O-CB 3.5Å; V461-L464 PolarHBondContact O-N 3.28Å; C462-L464 VanDerWaalsContact C-N 3.32Å; C462-L464 PolarHBondContact O-N 2.94Å
465	V	87.4	Confident	90.4	Very high	10 Å²	10	57.3 Å²	57.3	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-79.4	-45.2	-175.7	175.8	0	0	0	0	111.8	M423 L446 V461 C462 M472	M423-V465 HydrophobicContact CE-CG2 3.82Å; M423-V465 HydrophobicContact SD-CG2 4.49Å; L446-V465 HydrophobicContact CD1-CB 3.88Å; L446-V465 HydrophobicContact CD1-CG1 3.97Å; L446-V465 HydrophobicContact CD1-CG2 4.01Å; L446-V465 HydrophobicContact CG-CG2 4.48Å; V461-V465 HydrophobicContact CG1-CG2 3.69Å; V461-V465 WeakPolarHBondContact O-CB 3.34Å; V461-V465 VanDerWaalsContact O-CG2 3.27Å; V461-V465 WeakPolarHBondContact O-CG2 3.42Å; V461-V465 PolarHBondContact O-N 3Å; C462-V465 PolarHBondContact O-N 2.94Å; V465-M472 HydrophobicContact CG1-CE 3.87Å
466	C	89.4	Confident	90.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-76.2	-40.7	-176.7	-61.7	0	0	0	0	111.4	C462 R468 M469 M472 W473 Y476	C462-C466 VanDerWaalsContact O-CB 3.23Å; C462-C466 WeakPolarHBondContact O-CB 3.32Å; C462-C466 PolarHBondContact O-N 3.34Å; C462-C466 PolarHBondContact O-SG 3.34Å; C462-C466 VanDerWaalsContact O-SG 3.35Å; C466-R468 PolarHBondContact O-N 3.03Å; C466-M469 VanDerWaalsContact O-CB 3.28Å; C466-M469 WeakPolarHBondContact O-CB 3.37Å; C466-M469 WeakPolarHBondContact O-CG 3.29Å; C466-M469 PolarHBondContact O-N 3.33Å; C466-M472 HydrophobicContact CB-CB 4.06Å; C466-W473 VanDerWaalsContact CB-CD1 3.5Å; C466-W473 HydrophobicContact CB-CD2 3.79Å; C466-W473 HydrophobicContact CB-CG 3.76Å; C466-W473 HydrophobicContact CB-CZ2 4.26Å; C466-Y476 VanDerWaalsContact SG-CD2 3.57Å
467	G	85.6	Confident	90.6	Very high	38 Å²	38	52.2 Å²	52.2	39%	0.392	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-115.4	-179.1	0	0	0	0	0	111.8	Q463 W473	Q463-G467 PolarHBondContact O-N 2.99Å; G467-W473 PolarHBondContact O-NE1 2.81Å
468	R	87.2	Confident	90.7	Very high	220 Å²	220	52.8 Å²	52.8	83%	0.83	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	1.1	179.1	-65.1	-172.7	-179.1	-178.3	1	115.1	C466 K470	C466-R468 PolarHBondContact O-N 3.03Å; R468-K470 PolarHBondContact O-N 2.59Å
469	M	88	Confident	90.7	Very high	98 Å²	98	56.3 Å²	56.3	48%	0.483	27%	0.27	S	S	.	.			trans	-82.8	104.6	-175.9	-56.9	-179.8	80.5	0	0	110	C466 M472 W473	C466-M469 VanDerWaalsContact O-CB 3.28Å; C466-M469 WeakPolarHBondContact O-CB 3.37Å; C466-M469 WeakPolarHBondContact O-CG 3.29Å; C466-M469 PolarHBondContact O-N 3.33Å; M469-M472 HydrophobicContact CB-CB 3.98Å; M469-M472 HydrophobicContact CB-CG 3.97Å; M469-M472 HydrophobicContact CE-CG 4.37Å; M469-M472 PolarHBondContact O-N 3.32Å; M469-M472 HydrophobicContact SD-CG 4.24Å; M469-W473 PolarHBondContact O-N 3.44Å
470	K	89.8	Confident	90.8	Very high	64 Å²	64	56.2 Å²	56.2	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-56.9	-53.4	-179.5	-179.1	177.5	170.2	177.7	0	112.2	R468 M472 W473 E474 P498 L500 E501	R468-K470 PolarHBondContact O-N 2.59Å; K470-M472 PolarHBondContact O-N 3.25Å; K470-M472 VanDerWaalsContact O-N 3.12Å; K470-W473 WeakPolarHBondContact O-CB 3.47Å; K470-W473 PolarHBondContact O-N 2.9Å; K470-E474 WeakPolarHBondContact CE-OE1 3.46Å; K470-E474 HydrophobicContact CG-CG 4.41Å; K470-E474 IonicContact NZ-OE1 3.85Å; K470-E474 PolarHBondContact O-N 3.29Å; K470-E474 VanDerWaalsContact O-N 3.08Å; K470-P498 HydrophobicContact CB-CB 3.92Å; K470-P498 HydrophobicContact CB-CG 4.24Å; K470-P498 HydrophobicContact CG-CB 4.43Å; K470-L500 HydrophobicContact CG-CD2 4.08Å; K470-E501 IonicContact NZ-OE1 3.03Å; K470-E501 PolarHBondContact NZ-OE1 3.49Å
471	D	91.2	Very high	90.9	Very high	128 Å²	128	56.1 Å²	56.1	68%	0.684	27%	0.268	S	S	*	.	H	α-helix	trans	-57.6	-33.6	-176.1	-48.6	-17.3	0	0	0	113	Y475	D471-Y475 WeakPolarHBondContact O-CB 3.49Å; D471-Y475 PolarHBondContact O-N 3.38Å
472	M	90	Very high	90.9	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.039	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-42.8	177.7	-76.7	-70.7	-74.2	0	0	111.8	R443 V465 C466 M469 K470 Y475 Y476	R443-M472 HydrophobicContact CG-CE 3.67Å; R443-M472 VanDerWaalsContact CZ-SD 3.59Å; R443-M472 PolarHBondContact NE-SD 3.39Å; R443-M472 PolarHBondContact NH2-SD 3.03Å; V465-M472 HydrophobicContact CG1-CE 3.87Å; C466-M472 HydrophobicContact CB-CB 4.06Å; M469-M472 HydrophobicContact CB-CB 3.98Å; M469-M472 HydrophobicContact CB-CG 3.97Å; M469-M472 HydrophobicContact CE-CG 4.37Å; M469-M472 PolarHBondContact O-N 3.32Å; M469-M472 HydrophobicContact SD-CG 4.24Å; K470-M472 PolarHBondContact O-N 3.25Å; K470-M472 VanDerWaalsContact O-N 3.12Å; M472-Y475 PolarHBondContact O-N 3.04Å; M472-Y476 HydrophobicContact CE-CE2 3.68Å; M472-Y476 WeakPolarHBondContact O-CD2 3.37Å; M472-Y476 PolarHBondContact O-N 2.99Å; M472-Y476 VanDerWaalsContact O-N 3.12Å
473	W	93.6	Very high	90.9	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-47.2	173.8	-85.8	111.6	0	0	0	111.4	C462 Q463 C466 G467 M469 K470 Y475 Y476 V477 L489 V492 P494 L500	C462-W473 HydrophobicContact CB-CZ3 4.46Å; Q463-W473 HydrophobicContact CB-CH2 4.41Å; Q463-W473 HydrophobicContact CB-CZ2 4.5Å; Q463-W473 HydrophobicContact CG-CZ2 4.41Å; C466-W473 VanDerWaalsContact CB-CD1 3.5Å; C466-W473 HydrophobicContact CB-CD2 3.79Å; C466-W473 HydrophobicContact CB-CG 3.76Å; C466-W473 HydrophobicContact CB-CZ2 4.26Å; G467-W473 PolarHBondContact O-NE1 2.81Å; M469-W473 PolarHBondContact O-N 3.44Å; K470-W473 WeakPolarHBondContact O-CB 3.47Å; K470-W473 PolarHBondContact O-N 2.9Å; W473-Y475 VanDerWaalsContact C-N 3.33Å; W473-Y475 PolarHBondContact O-N 3.31Å; W473-Y476 PolarHBondContact O-N 2.99Å; W473-V477 VanDerWaalsContact O-CG2 3.29Å; W473-V477 WeakPolarHBondContact O-CG2 3.44Å; W473-V477 PolarHBondContact O-N 3.04Å; W473-L489 HydrophobicContact CZ3-CD2 4.42Å; W473-V492 HydrophobicContact CH2-CG1 4.03Å; W473-P494 HydrophobicContact CD2-CG 3.89Å; W473-P494 HydrophobicContact CG-CG 3.97Å; W473-P494 HydrophobicContact CZ2-CG 4.31Å; W473-L500 HydrophobicContact CB-CD1 3.89Å; W473-L500 HydrophobicContact CB-CD2 3.51Å; W473-L500 HydrophobicContact CB-CG 4.36Å; W473-L500 HydrophobicContact CG-CD2 4.14Å
474	E	93.6	Very high	90.9	Very high	41 Å²	41	60.3 Å²	60.3	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-39.1	-178.4	-63.3	-179.3	164.2	0	0	112.1	K470 T478 L500 E501	K470-E474 WeakPolarHBondContact CE-OE1 3.46Å; K470-E474 HydrophobicContact CG-CG 4.41Å; K470-E474 IonicContact NZ-OE1 3.85Å; K470-E474 PolarHBondContact O-N 3.29Å; K470-E474 VanDerWaalsContact O-N 3.08Å; E474-T478 PolarHBondContact O-N 2.89Å; E474-T478 PolarHBondContact O-OG1 3.45Å; E474-L500 HydrophobicContact CG-CB 4.37Å; E474-L500 HydrophobicContact CG-CD2 4.28Å; E474-E501 WeakPolarHBondContact OE1-CG 3.33Å; E474-E501 PolarHBondContact OE1-N 3.45Å
475	Y	93.4	Very high	91.1	Very high	128 Å²	128	59 Å²	59	50%	0.502	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-49.5	172.9	177.3	-94.4	0	0	0	111.8	D471 M472 W473 T478 R479	D471-Y475 WeakPolarHBondContact O-CB 3.49Å; D471-Y475 PolarHBondContact O-N 3.38Å; M472-Y475 PolarHBondContact O-N 3.04Å; W473-Y475 VanDerWaalsContact C-N 3.33Å; W473-Y475 PolarHBondContact O-N 3.31Å; Y475-T478 PolarHBondContact O-N 3.31Å; Y475-R479 WeakPolarHBondContact O-CB 3.32Å; Y475-R479 PolarHBondContact O-N 2.73Å
476	Y	93.5	Very high	91.3	Very high	5 Å²	5	58.6 Å²	58.6	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-73.6	-33	-179.1	-74.2	-65.2	0	0	0	113.3	R443 L446 L450 C466 M472 W473 T478 R479 F480	R443-Y476 WeakPolarHBondContact CA-OH 3.24Å; R443-Y476 WeakPolarHBondContact CG-OH 3.49Å; L446-Y476 HydrophobicContact CB-CE1 3.78Å; L446-Y476 HydrophobicContact CD1-CD1 4.37Å; L446-Y476 HydrophobicContact CD1-CD2 4.05Å; L446-Y476 HydrophobicContact CD1-CE1 3.81Å; L446-Y476 HydrophobicContact CD1-CE2 3.41Å; L446-Y476 VanDerWaalsContact CD1-CE2 3.41Å; L446-Y476 HydrophobicContact CD1-CG 4.49Å; L446-Y476 WeakPolarHBondContact CD1-OH 3.42Å; L446-Y476 HydrophobicContact CG-CE1 4.34Å; L450-Y476 HydrophobicContact CD1-CD1 4.36Å; L450-Y476 HydrophobicContact CD1-CE1 4.43Å; C466-Y476 VanDerWaalsContact SG-CD2 3.57Å; M472-Y476 HydrophobicContact CE-CE2 3.68Å; M472-Y476 WeakPolarHBondContact O-CD2 3.37Å; M472-Y476 PolarHBondContact O-N 2.99Å; M472-Y476 VanDerWaalsContact O-N 3.12Å; W473-Y476 PolarHBondContact O-N 2.99Å; Y476-T478 VanDerWaalsContact C-N 3.31Å; Y476-T478 PolarHBondContact O-N 3.36Å; Y476-R479 HydrophobicContact CD1-CB 4.44Å; Y476-R479 PolarHBondContact O-N 2.86Å; Y476-R479 VanDerWaalsContact O-N 3.12Å; Y476-F480 WeakPolarHBondContact O-CB 3.3Å; Y476-F480 VanDerWaalsContact O-CD2 3.27Å; Y476-F480 WeakPolarHBondContact O-CD2 3.28Å; Y476-F480 PolarHBondContact O-N 2.87Å
477	V	93.9	Very high	91.3	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-56.6	-49.9	170	170.7	0	0	0	0	109.6	W473 R479 F480 E481 L486 L489 L493 L500 C504	W473-V477 VanDerWaalsContact O-CG2 3.29Å; W473-V477 WeakPolarHBondContact O-CG2 3.44Å; W473-V477 PolarHBondContact O-N 3.04Å; V477-R479 VanDerWaalsContact C-N 3.27Å; V477-R479 PolarHBondContact O-N 3.06Å; V477-F480 PolarHBondContact O-N 3.35Å; V477-E481 WeakPolarHBondContact O-CB 3.35Å; V477-E481 PolarHBondContact O-N 2.91Å; V477-L486 HydrophobicContact CG1-CD2 4.02Å; V477-L486 WeakPolarHBondContact O-CD2 3.24Å; V477-L489 HydrophobicContact CG2-CD1 4.2Å; V477-L493 HydrophobicContact CG2-CD2 4.1Å; V477-L500 HydrophobicContact CG2-CD1 4.34Å; V477-C504 HydrophobicContact CB-CB 4.49Å; V477-C504 HydrophobicContact CG1-CB 3.93Å; V477-C504 HydrophobicContact CG2-CB 4.45Å
478	T	93.7	Very high	91.4	Very high	63 Å²	63	62.5 Å²	62.5	39%	0.387	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-38.8	176	-51.3	0	0	0	0	111.8	E474 Y475 Y476 E481 Q482	E474-T478 PolarHBondContact O-N 2.89Å; E474-T478 PolarHBondContact O-OG1 3.45Å; Y475-T478 PolarHBondContact O-N 3.31Å; Y476-T478 VanDerWaalsContact C-N 3.31Å; Y476-T478 PolarHBondContact O-N 3.36Å; T478-E481 WeakPolarHBondContact O-CB 3.35Å; T478-E481 PolarHBondContact O-N 2.93Å; T478-Q482 WeakPolarHBondContact O-CG 3.49Å; T478-Q482 PolarHBondContact O-N 3.33Å
479	R	92.7	Very high	91.6	Very high	73 Å²	73	52 Å²	52	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-44.2	178.7	-165.6	64.9	171.6	147.7	-0.2	112.3	E447 L450 Y475 Y476 V477 E481 Q482 I483	E447-R479 IonicContact OE1-NH2 3.59Å; E447-R479 PolarHBondContact OE1-NH2 3.15Å; E447-R479 VanDerWaalsContact OE1-NH2 3.13Å; E447-R479 IonicContact OE2-NE 2.79Å; L450-R479 HydrophobicContact CD1-CG 3.85Å; Y475-R479 WeakPolarHBondContact O-CB 3.32Å; Y475-R479 PolarHBondContact O-N 2.73Å; Y476-R479 HydrophobicContact CD1-CB 4.44Å; Y476-R479 PolarHBondContact O-N 2.86Å; Y476-R479 VanDerWaalsContact O-N 3.12Å; V477-R479 VanDerWaalsContact C-N 3.27Å; V477-R479 PolarHBondContact O-N 3.06Å; R479-E481 VanDerWaalsContact C-N 3.34Å; R479-Q482 PolarHBondContact O-N 3.44Å; R479-I483 HydrophobicContact CG-CD1 4.39Å; R479-I483 WeakPolarHBondContact O-CD1 3.33Å; R479-I483 VanDerWaalsContact O-CG1 3.31Å; R479-I483 WeakPolarHBondContact O-CG1 3.45Å; R479-I483 PolarHBondContact O-N 3.22Å
480	F	94.1	Very high	91.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-33.9	175.6	-88.2	-100.7	0	0	0	111.9	L450 A458 A459 Y476 V477 I483 G484 Q485 L486 H488 L489	L450-F480 HydrophobicContact CD2-CD2 4.25Å; L450-F480 HydrophobicContact CD2-CE1 4.2Å; L450-F480 HydrophobicContact CD2-CE2 3.8Å; L450-F480 HydrophobicContact CD2-CZ 3.78Å; A458-F480 HydrophobicContact CB-CZ 3.78Å; A459-F480 HydrophobicContact CB-CZ 4.41Å; Y476-F480 WeakPolarHBondContact O-CB 3.3Å; Y476-F480 VanDerWaalsContact O-CD2 3.27Å; Y476-F480 WeakPolarHBondContact O-CD2 3.28Å; Y476-F480 PolarHBondContact O-N 2.87Å; V477-F480 PolarHBondContact O-N 3.35Å; F480-I483 PolarHBondContact O-N 3.12Å; F480-G484 PolarHBondContact O-N 3.17Å; F480-Q485 HydrophobicContact CD1-CB 4.23Å; F480-Q485 WeakPolarHBondContact CD1-O 3.1Å; F480-Q485 PolarHBondContact O-N 3.1Å; F480-L486 HydrophobicContact CB-CD2 3.83Å; F480-H488 HydrophobicContact CE1-CB 4.43Å; F480-L489 HydrophobicContact CB-CD1 3.72Å; F480-L489 HydrophobicContact CB-CG 4.46Å; F480-L489 HydrophobicContact CD1-CD1 4.16Å; F480-L489 HydrophobicContact CD1-CG 4.02Å; F480-L489 HydrophobicContact CD2-CD1 3.66Å; F480-L489 HydrophobicContact CD2-CD2 4.33Å; F480-L489 HydrophobicContact CD2-CG 4.13Å; F480-L489 HydrophobicContact CE1-CD2 4.41Å; F480-L489 HydrophobicContact CE1-CG 4.19Å; F480-L489 HydrophobicContact CE2-CD1 4.22Å; F480-L489 HydrophobicContact CE2-CD2 4.04Å; F480-L489 HydrophobicContact CE2-CG 4.28Å; F480-L489 HydrophobicContact CG-CD1 3.6Å; F480-L489 HydrophobicContact CG-CG 3.97Å; F480-L489 HydrophobicContact CZ-CD2 4.08Å; F480-L489 HydrophobicContact CZ-CG 4.3Å
481	E	92.6	Very high	91.4	Very high	91 Å²	91	50.5 Å²	50.5	43%	0.425	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-46.9	172.2	-173.3	-179.6	-163.6	0	0	111.4	V477 T478 R479 I483 G484 L486	V477-E481 WeakPolarHBondContact O-CB 3.35Å; V477-E481 PolarHBondContact O-N 2.91Å; T478-E481 WeakPolarHBondContact O-CB 3.35Å; T478-E481 PolarHBondContact O-N 2.93Å; R479-E481 VanDerWaalsContact C-N 3.34Å; E481-I483 PolarHBondContact O-N 3.38Å; E481-G484 WeakPolarHBondContact O-CA 3.26Å; E481-G484 PolarHBondContact O-N 3.4Å; E481-L486 HydrophobicContact CB-CD1 3.85Å; E481-L486 HydrophobicContact CB-CD2 4.13Å; E481-L486 HydrophobicContact CB-CG 4.09Å; E481-L486 HydrophobicContact CG-CD1 3.97Å
482	Q	91.9	Very high	91.3	Very high	131 Å²	131	45.8 Å²	45.8	61%	0.612	23%	0.226	S	C	*	.	H	α-helix	trans	-59.6	-33	176.5	-72.8	171.4	4.3	0	0	112.9	T478 R479 G484	T478-Q482 WeakPolarHBondContact O-CG 3.49Å; T478-Q482 PolarHBondContact O-N 3.33Å; R479-Q482 PolarHBondContact O-N 3.44Å; Q482-G484 VanDerWaalsContact C-N 3.34Å
483	I	91.3	Very high	91.3	Very high	53 Å²	53	45.9 Å²	45.9	27%	0.272	23%	0.226	S	C	.	.	H	α-helix	trans	-82.8	-16	177.3	-59.4	165	0	0	0	111	L450 Y455 R479 F480 E481 Q485	L450-I483 HydrophobicContact CB-CD1 4.25Å; L450-I483 HydrophobicContact CD1-CD1 4.4Å; L450-I483 HydrophobicContact CD2-CD1 3.94Å; L450-I483 HydrophobicContact CG-CD1 4.43Å; Y455-I483 HydrophobicContact CD1-CG2 4.45Å; Y455-I483 HydrophobicContact CE1-CG2 3.67Å; R479-I483 HydrophobicContact CG-CD1 4.39Å; R479-I483 WeakPolarHBondContact O-CD1 3.33Å; R479-I483 VanDerWaalsContact O-CG1 3.31Å; R479-I483 WeakPolarHBondContact O-CG1 3.45Å; R479-I483 PolarHBondContact O-N 3.22Å; F480-I483 PolarHBondContact O-N 3.12Å; E481-I483 PolarHBondContact O-N 3.38Å; I483-Q485 HydrophobicContact CG2-CB 4.35Å; I483-Q485 HydrophobicContact CG2-CG 3.81Å
484	G	89.3	Confident	91.2	Very high	26 Å²	26	46.6 Å²	46.6	27%	0.268	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	35.6	-177.8	0	0	0	0	0	113.4	F480 E481 Q482 K515	F480-G484 PolarHBondContact O-N 3.17Å; E481-G484 WeakPolarHBondContact O-CA 3.26Å; E481-G484 PolarHBondContact O-N 3.4Å; Q482-G484 VanDerWaalsContact C-N 3.34Å; G484-K515 PolarHBondContact O-NZ 2.85Å
485	Q	90.5	Very high	90.9	Very high	54 Å²	54	47 Å²	47	25%	0.252	24%	0.237	S	C	.	.			trans	-127.2	29.1	-174.4	-66.2	-66.8	-8.9	0	0	112.9	Y455 F480 I483 I487 H488	Y455-Q485 HydrophobicContact CD1-CB 4.5Å; Y455-Q485 HydrophobicContact CD1-CG 4.3Å; Y455-Q485 HydrophobicContact CD2-CB 4.38Å; Y455-Q485 HydrophobicContact CD2-CG 3.71Å; Y455-Q485 HydrophobicContact CE1-CG 4.38Å; Y455-Q485 HydrophobicContact CE2-CG 3.78Å; Y455-Q485 HydrophobicContact CG-CB 4.21Å; Y455-Q485 HydrophobicContact CG-CG 3.98Å; F480-Q485 HydrophobicContact CD1-CB 4.23Å; F480-Q485 WeakPolarHBondContact CD1-O 3.1Å; F480-Q485 PolarHBondContact O-N 3.1Å; I483-Q485 HydrophobicContact CG2-CB 4.35Å; I483-Q485 HydrophobicContact CG2-CG 3.81Å; Q485-I487 PolarHBondContact O-N 3.25Å; Q485-I487 VanDerWaalsContact O-N 3.11Å; Q485-H488 PolarHBondContact O-N 2.67Å
486	L	92	Very high	90.5	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.7	-21.6	-178.7	-69.2	168.6	0	0	0	113.4	V477 F480 E481 H488 L489 V508 E511	V477-L486 HydrophobicContact CG1-CD2 4.02Å; V477-L486 WeakPolarHBondContact O-CD2 3.24Å; F480-L486 HydrophobicContact CB-CD2 3.83Å; E481-L486 HydrophobicContact CB-CD1 3.85Å; E481-L486 HydrophobicContact CB-CD2 4.13Å; E481-L486 HydrophobicContact CB-CG 4.09Å; E481-L486 HydrophobicContact CG-CD1 3.97Å; L486-H488 PolarHBondContact O-N 2.98Å; L486-H488 VanDerWaalsContact O-N 3.14Å; L486-L489 HydrophobicContact CD2-CD1 4.29Å; L486-L489 PolarHBondContact O-N 2.99Å; L486-V508 HydrophobicContact CB-CG2 4.3Å; L486-V508 HydrophobicContact CD1-CG2 4.38Å; L486-V508 HydrophobicContact CD2-CG2 4.18Å; L486-E511 HydrophobicContact CB-CB 4.43Å; L486-E511 WeakPolarHBondContact CB-OE2 3.06Å; L486-E511 HydrophobicContact CD1-CB 4.32Å; L486-E511 WeakPolarHBondContact CD1-OE2 3.43Å; L486-E511 VanDerWaalsContact CG-OE2 3.31Å; L486-E511 WeakPolarHBondContact CG-OE2 3.29Å; L486-E511 PolarHBondContact N-OE1 2.82Å; L486-E511 PolarHBondContact N-OE2 3.29Å
487	I	89	Confident	89.9	Confident	49 Å²	49	52.1 Å²	52.1	25%	0.251	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-51.8	-38.2	178.8	-65.1	166.5	0	0	0	111.6	Q485 L489 V490 E511 L512 K515	Q485-I487 PolarHBondContact O-N 3.25Å; Q485-I487 VanDerWaalsContact O-N 3.11Å; I487-L489 VanDerWaalsContact C-N 3.26Å; I487-L489 PolarHBondContact O-N 3.44Å; I487-V490 WeakPolarHBondContact O-CB 3.41Å; I487-V490 WeakPolarHBondContact O-CG2 3.37Å; I487-V490 PolarHBondContact O-N 2.8Å; I487-E511 HydrophobicContact CG1-CG 4.48Å; I487-L512 HydrophobicContact CG1-CD2 4.2Å; I487-K515 HydrophobicContact CD1-CB 4.06Å; I487-K515 HydrophobicContact CD1-CD 3.32Å; I487-K515 HydrophobicContact CD1-CG 4.34Å; I487-K515 HydrophobicContact CG1-CD 4.3Å
488	H	88.6	Confident	89.7	Confident	74 Å²	74	52.9 Å²	52.9	34%	0.343	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-69.7	-20.8	-178.9	-68.2	-69.5	0	0	0	113.7	A459 F480 Q485 L486	A459-H488 HydrophobicContact CB-CB 4.07Å; A459-H488 VanDerWaalsContact CB-O 3.24Å; A459-H488 WeakPolarHBondContact CB-O 3.21Å; F480-H488 HydrophobicContact CE1-CB 4.43Å; Q485-H488 PolarHBondContact O-N 2.67Å; L486-H488 PolarHBondContact O-N 2.98Å; L486-H488 VanDerWaalsContact O-N 3.14Å
489	L	90.6	Very high	89.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-86.7	-14.5	178.5	-70.2	179.4	0	0	0	113.5	A459 C462 W473 V477 F480 L486 I487 D491 V492 L493	A459-L489 HydrophobicContact CB-CD2 3.89Å; C462-L489 HydrophobicContact CB-CD2 4.38Å; W473-L489 HydrophobicContact CZ3-CD2 4.42Å; V477-L489 HydrophobicContact CG2-CD1 4.2Å; F480-L489 HydrophobicContact CB-CD1 3.72Å; F480-L489 HydrophobicContact CB-CG 4.46Å; F480-L489 HydrophobicContact CD1-CD1 4.16Å; F480-L489 HydrophobicContact CD1-CG 4.02Å; F480-L489 HydrophobicContact CD2-CD1 3.66Å; F480-L489 HydrophobicContact CD2-CD2 4.33Å; F480-L489 HydrophobicContact CD2-CG 4.13Å; F480-L489 HydrophobicContact CE1-CD2 4.41Å; F480-L489 HydrophobicContact CE1-CG 4.19Å; F480-L489 HydrophobicContact CE2-CD1 4.22Å; F480-L489 HydrophobicContact CE2-CD2 4.04Å; F480-L489 HydrophobicContact CE2-CG 4.28Å; F480-L489 HydrophobicContact CG-CD1 3.6Å; F480-L489 HydrophobicContact CG-CG 3.97Å; F480-L489 HydrophobicContact CZ-CD2 4.08Å; F480-L489 HydrophobicContact CZ-CG 4.3Å; L486-L489 HydrophobicContact CD2-CD1 4.29Å; L486-L489 PolarHBondContact O-N 2.99Å; I487-L489 VanDerWaalsContact C-N 3.26Å; I487-L489 PolarHBondContact O-N 3.44Å; L489-D491 VanDerWaalsContact C-N 3.34Å; L489-D491 PolarHBondContact O-N 3.1Å; L489-V492 PolarHBondContact O-N 2.98Å; L489-L493 HydrophobicContact CB-CD1 3.86Å; L489-L493 HydrophobicContact CB-CG 4.49Å; L489-L493 WeakPolarHBondContact O-CB 3.5Å; L489-L493 PolarHBondContact O-N 3.07Å
490	V	88.7	Confident	89.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-49.6	-169.5	175.4	0	0	0	0	112.3	I487 V492 V508 L512 M523	I487-V490 WeakPolarHBondContact O-CB 3.41Å; I487-V490 WeakPolarHBondContact O-CG2 3.37Å; I487-V490 PolarHBondContact O-N 2.8Å; V490-V492 VanDerWaalsContact C-N 3.27Å; V490-V492 PolarHBondContact O-N 3.22Å; V490-V508 HydrophobicContact CB-CG1 4.44Å; V490-V508 HydrophobicContact CG2-CG1 3.55Å; V490-L512 HydrophobicContact CG1-CD1 4.16Å; V490-L512 HydrophobicContact CG2-CD1 3.94Å; V490-L512 HydrophobicContact CG2-CD2 4.17Å; V490-L512 HydrophobicContact CG2-CG 4.24Å; V490-M523 HydrophobicContact CG1-CE 3.59Å; V490-M523 HydrophobicContact CG1-CG 3.63Å; V490-M523 HydrophobicContact CG1-SD 3.61Å
491	D	85.9	Confident	89.4	Confident	127 Å²	127	55.4 Å²	55.4	68%	0.679	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.6	-174.9	-61.2	-38.3	0	0	0	113.2	L489 M523	L489-D491 VanDerWaalsContact C-N 3.34Å; L489-D491 PolarHBondContact O-N 3.1Å; D491-M523 WeakPolarHBondContact OD1-CE 3.47Å
492	V	88.8	Confident	89.3	Confident	28 Å²	28	52.4 Å²	52.4	17%	0.17	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-19.1	-170.4	-162.9	0	0	0	0	112	Q463 W473 L489 V490	Q463-V492 HydrophobicContact CB-CG1 3.47Å; Q463-V492 VanDerWaalsContact CB-CG1 3.47Å; Q463-V492 HydrophobicContact CG-CG1 3.64Å; W473-V492 HydrophobicContact CH2-CG1 4.03Å; L489-V492 PolarHBondContact O-N 2.98Å; V490-V492 VanDerWaalsContact C-N 3.27Å; V490-V492 PolarHBondContact O-N 3.22Å
493	L	90.6	Very high	89.3	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.052	27%	0.27	C	S	.	.	S	Bend	trans	-58.9	127	-177.3	-110.7	143.5	0	0	0	111.9	V477 L489 T495 L500 Y505 V508 W527	V477-L493 HydrophobicContact CG2-CD2 4.1Å; L489-L493 HydrophobicContact CB-CD1 3.86Å; L489-L493 HydrophobicContact CB-CG 4.49Å; L489-L493 WeakPolarHBondContact O-CB 3.5Å; L489-L493 PolarHBondContact O-N 3.07Å; L493-T495 PolarHBondContact O-N 3.12Å; L493-L500 HydrophobicContact CD2-CD1 3.44Å; L493-L500 VanDerWaalsContact CD2-CD1 3.44Å; L493-Y505 HydrophobicContact CD2-CD1 4.39Å; L493-Y505 HydrophobicContact CD2-CE1 4.14Å; L493-V508 HydrophobicContact CD1-CB 4.45Å; L493-V508 HydrophobicContact CD1-CG1 4.38Å; L493-V508 HydrophobicContact CD1-CG2 3.48Å; L493-V508 VanDerWaalsContact CD1-CG2 3.48Å; L493-W527 HydrophobicContact CB-CZ2 4.48Å
494	P	90.8	Very high	89.3	Confident	19 Å²	19	47.6 Å²	47.6	12%	0.123	26%	0.261	C	S	.	.			trans	-69.6	127.3	180	29.5	-36	0	0	0	109.9	W473 P498 L500 Y505	W473-P494 HydrophobicContact CD2-CG 3.89Å; W473-P494 HydrophobicContact CG-CG 3.97Å; W473-P494 HydrophobicContact CZ2-CG 4.31Å; P494-P498 WeakPolarHBondContact CB-O 2.79Å; P494-P498 HydrophobicContact CG-CG 4.37Å; P494-L500 HydrophobicContact CG-CD1 4.28Å; P494-L500 HydrophobicContact CG-CD2 4.14Å; P494-L500 HydrophobicContact CG-CG 4.18Å; P494-Y505 WeakPolarHBondContact O-CE1 3.4Å; P494-Y505 PolarHBondContact O-OH 3.38Å
495	T	87.3	Confident	89.4	Confident	51 Å²	51	46.3 Å²	46.3	31%	0.313	25%	0.248	S	C	.	.	S	Bend	trans	-93.4	-20.7	172.4	54.2	0	0	0	0	112	L493 W527 L531	L493-T495 PolarHBondContact O-N 3.12Å; T495-W527 HydrophobicContact CG2-CG 4.47Å; T495-L531 HydrophobicContact CG2-CD1 3.86Å; T495-L531 WeakPolarHBondContact O-CD2 3.38Å
496	Q	84.1	Confident	89.5	Confident	160 Å²	160	45.7 Å²	45.7	75%	0.748	25%	0.245	S	C	*	.	S	Bend	trans	-145.7	144	178.1	-60	-179.1	17.6	0	0	109.4
497	A	82.4	Confident	89.4	Confident	80 Å²	80	46.7 Å²	46.7	66%	0.661	25%	0.252	S	S	*	.	S	Bend	trans	51.6	62.7	173.8	0	0	0	0	0	115.3
498	P	88.1	Confident	89.5	Confident	17 Å²	17	44.3 Å²	44.3	11%	0.11	24%	0.24	C	C	.	.	S	Bend	cis	-97.5	151.4	13.9	35.2	-31	0	0	0	112.5	K470 P494 L500	K470-P498 HydrophobicContact CB-CB 3.92Å; K470-P498 HydrophobicContact CB-CG 4.24Å; K470-P498 HydrophobicContact CG-CB 4.43Å; P494-P498 WeakPolarHBondContact CB-O 2.79Å; P494-P498 HydrophobicContact CG-CG 4.37Å; P498-L500 HydrophobicContact CG-CD2 4.07Å
499	Q	90.2	Very high	89.6	Confident	97 Å²	97	40.8 Å²	40.8	45%	0.453	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-85.7	124	161.3	180	175.7	-27.2	0	0	107.7	L531	Q499-L531 HydrophobicContact CG-CD2 3.69Å
500	L	92.7	Very high	89.5	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-79.2	171	-179.5	-50	-175.3	0	0	0	111	K470 W473 E474 V477 L493 P494 P498 C504 Y505	K470-L500 HydrophobicContact CG-CD2 4.08Å; W473-L500 HydrophobicContact CB-CD1 3.89Å; W473-L500 HydrophobicContact CB-CD2 3.51Å; W473-L500 HydrophobicContact CB-CG 4.36Å; W473-L500 HydrophobicContact CG-CD2 4.14Å; E474-L500 HydrophobicContact CG-CB 4.37Å; E474-L500 HydrophobicContact CG-CD2 4.28Å; V477-L500 HydrophobicContact CG2-CD1 4.34Å; L493-L500 HydrophobicContact CD2-CD1 3.44Å; L493-L500 VanDerWaalsContact CD2-CD1 3.44Å; P494-L500 HydrophobicContact CG-CD1 4.28Å; P494-L500 HydrophobicContact CG-CD2 4.14Å; P494-L500 HydrophobicContact CG-CG 4.18Å; P498-L500 HydrophobicContact CG-CD2 4.07Å; L500-C504 HydrophobicContact CB-CB 4.11Å; L500-C504 HydrophobicContact CD1-CB 4.13Å; L500-Y505 HydrophobicContact CB-CE2 3.73Å; L500-Y505 HydrophobicContact CG-CE2 4.46Å; L500-Y505 PolarHBondContact N-OH 2.9Å
501	E	92.2	Very high	89.5	Confident	88 Å²	88	44 Å²	44	41%	0.411	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-60.4	143.1	168.9	-71.9	-51.5	135.8	0	0	112	K470 E474 E503 C504	K470-E501 IonicContact NZ-OE1 3.03Å; K470-E501 PolarHBondContact NZ-OE1 3.49Å; E474-E501 WeakPolarHBondContact OE1-CG 3.33Å; E474-E501 PolarHBondContact OE1-N 3.45Å; E501-E503 PolarHBondContact O-N 2.76Å; E501-C504 WeakPolarHBondContact O-CB 3.48Å; E501-C504 PolarHBondContact O-N 3.48Å
502	P	91.4	Very high	89.7	Confident	29 Å²	29	38 Å²	38	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-54.8	-28.4	-175.9	-28.7	36.2	0	0	0	115.5	C504 Y505 Q506 L531 R533	P502-C504 VanDerWaalsContact C-N 3.26Å; P502-C504 PolarHBondContact O-N 3.21Å; P502-Y505 PolarHBondContact O-N 3.29Å; P502-Q506 WeakPolarHBondContact O-CB 3.43Å; P502-Q506 PolarHBondContact O-N 3.16Å; P502-L531 VanDerWaalsContact CA-O 3.25Å; P502-L531 WeakPolarHBondContact CA-O 3.33Å; P502-R533 HydrophobicContact CB-CG 4.17Å
503	E	90.6	Very high	89.7	Confident	71 Å²	71	36.8 Å²	36.8	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-31.3	178.6	-67.5	69.7	-154.5	0	0	112	E501 Q506 S507 R533	E501-E503 PolarHBondContact O-N 2.76Å; E503-Q506 PolarHBondContact O-N 3.42Å; E503-S507 WeakPolarHBondContact O-CB 3.34Å; E503-S507 PolarHBondContact O-N 3.44Å; E503-S507 PolarHBondContact O-OG 3.22Å; E503-R533 IonicContact OE1-CZ 3.68Å; E503-R533 IonicContact OE1-NE 2.68Å; E503-R533 PolarHBondContact OE1-NE 3.1Å; E503-R533 IonicContact OE1-NH1 3.57Å; E503-R533 IonicContact OE1-NH2 2.73Å; E503-R533 PolarHBondContact OE1-NH2 2.97Å
504	C	91.7	Very high	89.5	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-50.6	178.1	-68.7	0	0	0	0	111.1	V477 L500 E501 P502 S507 V508	V477-C504 HydrophobicContact CB-CB 4.49Å; V477-C504 HydrophobicContact CG1-CB 3.93Å; V477-C504 HydrophobicContact CG2-CB 4.45Å; L500-C504 HydrophobicContact CB-CB 4.11Å; L500-C504 HydrophobicContact CD1-CB 4.13Å; E501-C504 WeakPolarHBondContact O-CB 3.48Å; E501-C504 PolarHBondContact O-N 3.48Å; P502-C504 VanDerWaalsContact C-N 3.26Å; P502-C504 PolarHBondContact O-N 3.21Å; C504-S507 PolarHBondContact O-N 3.41Å; C504-V508 VanDerWaalsContact O-CG2 3.31Å; C504-V508 WeakPolarHBondContact O-CG2 3.37Å; C504-V508 PolarHBondContact O-N 3.07Å
505	Y	92.2	Very high	89.2	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-38.9	178	-55.3	-80.9	0	0	0	111.4	L493 P494 L500 P502 S507 V508 L509 W527 L531	L493-Y505 HydrophobicContact CD2-CD1 4.39Å; L493-Y505 HydrophobicContact CD2-CE1 4.14Å; P494-Y505 WeakPolarHBondContact O-CE1 3.4Å; P494-Y505 PolarHBondContact O-OH 3.38Å; L500-Y505 HydrophobicContact CB-CE2 3.73Å; L500-Y505 HydrophobicContact CG-CE2 4.46Å; L500-Y505 PolarHBondContact N-OH 2.9Å; P502-Y505 PolarHBondContact O-N 3.29Å; Y505-S507 VanDerWaalsContact C-N 3.35Å; Y505-S507 PolarHBondContact O-N 3.44Å; Y505-V508 PolarHBondContact O-N 3.46Å; Y505-L509 WeakPolarHBondContact O-CB 3.48Å; Y505-L509 WeakPolarHBondContact O-CG 3.29Å; Y505-L509 PolarHBondContact O-N 3.15Å; Y505-W527 AromaticContact CD1-CE3 4Å; Y505-W527 HydrophobicContact CD1-CE3 4Å; Y505-W527 AromaticContact CD1-CH2 3.95Å; Y505-W527 HydrophobicContact CD1-CH2 3.95Å; Y505-W527 HydrophobicContact CD1-CZ2 4.47Å; Y505-W527 AromaticContact CD1-CZ3 3.69Å; Y505-W527 HydrophobicContact CD1-CZ3 3.69Å; Y505-W527 HydrophobicContact CG-CZ3 4.2Å; Y505-L531 HydrophobicContact CD1-CB 4.39Å; Y505-L531 HydrophobicContact CD2-CB 4.04Å; Y505-L531 WeakPolarHBondContact CD2-O 3.38Å; Y505-L531 HydrophobicContact CE1-CD1 4.33Å; Y505-L531 HydrophobicContact CE2-CB 4.24Å; Y505-L531 HydrophobicContact CE2-CD2 4.15Å; Y505-L531 HydrophobicContact CG-CB 4.09Å
506	Q	90.7	Very high	89.2	Confident	40 Å²	40	46.5 Å²	46.5	19%	0.187	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-47.2	175.4	-176.7	179.2	-19.1	0	0	110.9	P502 E503 V508 L509 M510	P502-Q506 WeakPolarHBondContact O-CB 3.43Å; P502-Q506 PolarHBondContact O-N 3.16Å; E503-Q506 PolarHBondContact O-N 3.42Å; Q506-V508 VanDerWaalsContact C-N 3.3Å; Q506-V508 PolarHBondContact O-N 3.49Å; Q506-L509 PolarHBondContact O-N 3.26Å; Q506-M510 HydrophobicContact CG-CG 4.02Å; Q506-M510 WeakPolarHBondContact O-CB 3.38Å; Q506-M510 WeakPolarHBondContact O-CG 3.4Å; Q506-M510 PolarHBondContact O-N 3.43Å
507	S	89.9	Confident	89.3	Confident	23 Å²	23	39.4 Å²	39.4	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-40.5	-178.1	-55.1	0	0	0	0	111.8	E503 C504 Y505 M510 E511	E503-S507 WeakPolarHBondContact O-CB 3.34Å; E503-S507 PolarHBondContact O-N 3.44Å; E503-S507 PolarHBondContact O-OG 3.22Å; C504-S507 PolarHBondContact O-N 3.41Å; Y505-S507 VanDerWaalsContact C-N 3.35Å; Y505-S507 PolarHBondContact O-N 3.44Å; S507-M510 PolarHBondContact O-N 2.9Å; S507-E511 PolarHBondContact O-N 2.97Å
508	V	91.7	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-48	175.2	176.6	0	0	0	0	111.2	L486 V490 L493 C504 Y505 Q506 M510 E511 L512 W527	L486-V508 HydrophobicContact CB-CG2 4.3Å; L486-V508 HydrophobicContact CD1-CG2 4.38Å; L486-V508 HydrophobicContact CD2-CG2 4.18Å; V490-V508 HydrophobicContact CB-CG1 4.44Å; V490-V508 HydrophobicContact CG2-CG1 3.55Å; L493-V508 HydrophobicContact CD1-CB 4.45Å; L493-V508 HydrophobicContact CD1-CG1 4.38Å; L493-V508 HydrophobicContact CD1-CG2 3.48Å; L493-V508 VanDerWaalsContact CD1-CG2 3.48Å; C504-V508 VanDerWaalsContact O-CG2 3.31Å; C504-V508 WeakPolarHBondContact O-CG2 3.37Å; C504-V508 PolarHBondContact O-N 3.07Å; Y505-V508 PolarHBondContact O-N 3.46Å; Q506-V508 VanDerWaalsContact C-N 3.3Å; Q506-V508 PolarHBondContact O-N 3.49Å; V508-M510 VanDerWaalsContact C-N 3.31Å; V508-M510 PolarHBondContact O-N 3.41Å; V508-E511 PolarHBondContact O-N 3.42Å; V508-L512 HydrophobicContact CG1-CD1 4.43Å; V508-L512 WeakPolarHBondContact O-CG 3.47Å; V508-L512 PolarHBondContact O-N 3.32Å; V508-W527 HydrophobicContact CB-CH2 4.31Å; V508-W527 HydrophobicContact CG1-CH2 3.95Å
509	L	91	Very high	89.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-35.1	177.7	-71.8	175.8	0	0	0	112.3	Y505 Q506 L512 L513 F520 M523 V524 W527 Y532 L537	Y505-L509 WeakPolarHBondContact O-CB 3.48Å; Y505-L509 WeakPolarHBondContact O-CG 3.29Å; Y505-L509 PolarHBondContact O-N 3.15Å; Q506-L509 PolarHBondContact O-N 3.26Å; L509-L512 PolarHBondContact O-N 3.37Å; L509-L513 WeakPolarHBondContact O-CB 3.44Å; L509-L513 PolarHBondContact O-N 2.97Å; L509-F520 HydrophobicContact CB-CD2 4.26Å; L509-F520 HydrophobicContact CB-CE2 4.06Å; L509-F520 HydrophobicContact CD2-CD2 4.09Å; L509-F520 HydrophobicContact CD2-CE2 4.32Å; L509-F520 VanDerWaalsContact O-CD2 3.24Å; L509-F520 WeakPolarHBondContact O-CD2 3.35Å; L509-M523 HydrophobicContact CD2-CB 3.91Å; L509-V524 HydrophobicContact CD1-CG2 4.38Å; L509-V524 HydrophobicContact CD2-CG2 3.94Å; L509-W527 HydrophobicContact CD1-CE3 4.12Å; L509-W527 HydrophobicContact CD1-CZ3 4.25Å; L509-W527 HydrophobicContact CD2-CE3 4.27Å; L509-W527 HydrophobicContact CD2-CZ3 4.18Å; L509-W527 HydrophobicContact CG-CE3 4.19Å; L509-W527 HydrophobicContact CG-CZ3 3.9Å; L509-Y532 HydrophobicContact CD1-CD1 3.73Å; L509-Y532 HydrophobicContact CD1-CE1 4.03Å; L509-Y532 HydrophobicContact CD1-CG 4.02Å; L509-L537 HydrophobicContact CB-CD1 4.46Å; L509-L537 HydrophobicContact CB-CD2 4.02Å; L509-L537 HydrophobicContact CD1-CD1 3.54Å
510	M	89.3	Confident	89.4	Confident	48 Å²	48	35.6 Å²	35.6	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-68.5	-38.8	176.2	-68.3	-70.5	-69.1	0	0	111.5	Q506 S507 V508 N514 L537 E540	Q506-M510 HydrophobicContact CG-CG 4.02Å; Q506-M510 WeakPolarHBondContact O-CB 3.38Å; Q506-M510 WeakPolarHBondContact O-CG 3.4Å; Q506-M510 PolarHBondContact O-N 3.43Å; S507-M510 PolarHBondContact O-N 2.9Å; V508-M510 VanDerWaalsContact C-N 3.31Å; V508-M510 PolarHBondContact O-N 3.41Å; M510-N514 PolarHBondContact O-N 3.03Å; M510-N514 PolarHBondContact O-ND2 3.13Å; M510-L537 HydrophobicContact CG-CD2 4.38Å; M510-L537 HydrophobicContact SD-CD2 3.99Å; M510-E540 HydrophobicContact CE-CB 4.06Å; M510-E540 HydrophobicContact CE-CG 3.55Å; M510-E540 HydrophobicContact SD-CB 3.9Å; M510-E540 HydrophobicContact SD-CG 3.82Å
511	E	88.8	Confident	89.2	Confident	23 Å²	23	37.9 Å²	37.9	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-44.2	173.4	-171.2	172	149.1	0	0	111.3	L486 I487 S507 V508 N514 K515	L486-E511 HydrophobicContact CB-CB 4.43Å; L486-E511 WeakPolarHBondContact CB-OE2 3.06Å; L486-E511 HydrophobicContact CD1-CB 4.32Å; L486-E511 WeakPolarHBondContact CD1-OE2 3.43Å; L486-E511 VanDerWaalsContact CG-OE2 3.31Å; L486-E511 WeakPolarHBondContact CG-OE2 3.29Å; L486-E511 PolarHBondContact N-OE1 2.82Å; L486-E511 PolarHBondContact N-OE2 3.29Å; I487-E511 HydrophobicContact CG1-CG 4.48Å; S507-E511 PolarHBondContact O-N 2.97Å; V508-E511 PolarHBondContact O-N 3.42Å; E511-N514 PolarHBondContact O-N 3.24Å; E511-K515 HydrophobicContact CG-CD 3.91Å; E511-K515 PolarHBondContact O-N 3.12Å; E511-K515 IonicContact OE1-NZ 2.77Å; E511-K515 PolarHBondContact OE1-NZ 3.12Å
512	L	90.2	Very high	89.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-43.2	175.3	-70	177.4	0	0	0	112.2	I487 V490 V508 L509 N514 K515 D516 Q519 F520 M523	I487-L512 HydrophobicContact CG1-CD2 4.2Å; V490-L512 HydrophobicContact CG1-CD1 4.16Å; V490-L512 HydrophobicContact CG2-CD1 3.94Å; V490-L512 HydrophobicContact CG2-CD2 4.17Å; V490-L512 HydrophobicContact CG2-CG 4.24Å; V508-L512 HydrophobicContact CG1-CD1 4.43Å; V508-L512 WeakPolarHBondContact O-CG 3.47Å; V508-L512 PolarHBondContact O-N 3.32Å; L509-L512 PolarHBondContact O-N 3.37Å; L512-N514 PolarHBondContact O-N 3.22Å; L512-N514 VanDerWaalsContact O-N 3.11Å; L512-K515 PolarHBondContact O-N 2.92Å; L512-K515 VanDerWaalsContact O-N 3.17Å; L512-D516 CarbonylContact O-C 3.59Å; L512-D516 WeakPolarHBondContact O-CA 3.38Å; L512-D516 PolarHBondContact O-N 3.23Å; L512-Q519 HydrophobicContact CD1-CG 4.38Å; L512-Q519 HydrophobicContact CD2-CB 4.24Å; L512-Q519 HydrophobicContact CD2-CG 4.13Å; L512-F520 HydrophobicContact CB-CB 3.84Å; L512-F520 HydrophobicContact CB-CD2 4.38Å; L512-M523 HydrophobicContact CD1-CB 4.35Å; L512-M523 HydrophobicContact CD1-CG 3.96Å
513	L	88.5	Confident	88.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-30.6	176.9	-179.4	60.1	0	0	0	112.5	L509 I517 F520 E540 V541 R544 L558	L509-L513 WeakPolarHBondContact O-CB 3.44Å; L509-L513 PolarHBondContact O-N 2.97Å; L513-I517 HydrophobicContact CD1-CG1 4.48Å; L513-F520 HydrophobicContact CB-CD2 3.97Å; L513-F520 HydrophobicContact CB-CE2 4.07Å; L513-F520 HydrophobicContact CB-CG 4.27Å; L513-F520 HydrophobicContact CB-CZ 4.46Å; L513-F520 HydrophobicContact CD1-CD1 3.96Å; L513-F520 HydrophobicContact CD1-CE1 3.8Å; L513-F520 HydrophobicContact CD1-CG 4.39Å; L513-F520 HydrophobicContact CD1-CZ 4.12Å; L513-E540 HydrophobicContact CD2-CB 4.09Å; L513-E540 HydrophobicContact CD2-CG 3.57Å; L513-V541 HydrophobicContact CD2-CG2 4.35Å; L513-R544 HydrophobicContact CD1-CB 4.48Å; L513-R544 HydrophobicContact CD1-CG 4.18Å; L513-L558 HydrophobicContact CD1-CD2 3.78Å
514	N	85	Confident	88.8	Confident	107 Å²	107	34.5 Å²	34.5	57%	0.572	18%	0.175	S	C	*	.	H	α-helix	trans	-84.2	-37.4	177.9	-71.6	-39.5	0	0	0	113.3	M510 E511 L512	M510-N514 PolarHBondContact O-N 3.03Å; M510-N514 PolarHBondContact O-ND2 3.13Å; E511-N514 PolarHBondContact O-N 3.24Å; L512-N514 PolarHBondContact O-N 3.22Å; L512-N514 VanDerWaalsContact O-N 3.11Å
515	K	86.1	Confident	88.6	Confident	115 Å²	115	38.3 Å²	38.3	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-102.5	-41.5	-171.8	-66.3	-178.1	178.6	176.7	0	114.4	G484 I487 E511 L512	G484-K515 PolarHBondContact O-NZ 2.85Å; I487-K515 HydrophobicContact CD1-CB 4.06Å; I487-K515 HydrophobicContact CD1-CD 3.32Å; I487-K515 HydrophobicContact CD1-CG 4.34Å; I487-K515 HydrophobicContact CG1-CD 4.3Å; E511-K515 HydrophobicContact CG-CD 3.91Å; E511-K515 PolarHBondContact O-N 3.12Å; E511-K515 IonicContact OE1-NZ 2.77Å; E511-K515 PolarHBondContact OE1-NZ 3.12Å; L512-K515 PolarHBondContact O-N 2.92Å; L512-K515 VanDerWaalsContact O-N 3.17Å
516	D	86.6	Confident	88.3	Confident	62 Å²	62	44.2 Å²	44.2	33%	0.332	22%	0.221	S	C	.	.			trans	-145.5	96.1	-174.7	-168	-31	0	0	0	112	L512 P518 Q519 F520	L512-D516 CarbonylContact O-C 3.59Å; L512-D516 WeakPolarHBondContact O-CA 3.38Å; L512-D516 PolarHBondContact O-N 3.23Å; D516-P518 WeakPolarHBondContact OD1-CD 3.49Å; D516-Q519 HydrophobicContact CB-CB 4.08Å; D516-Q519 PolarHBondContact OD1-N 3.47Å; D516-F520 WeakPolarHBondContact O-CB 3.41Å; D516-F520 PolarHBondContact O-N 2.86Å
517	I	85.7	Confident	88.2	Confident	11 Å²	11	43 Å²	43	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-71.1	-39.4	-179.2	-69.8	159.6	0	0	0	113.1	L513 Q519 F520 K521 L554 L558	L513-I517 HydrophobicContact CD1-CG1 4.48Å; I517-Q519 VanDerWaalsContact C-N 3.35Å; I517-Q519 PolarHBondContact O-N 3.08Å; I517-F520 WeakPolarHBondContact O-CB 3.27Å; I517-F520 PolarHBondContact O-N 3.47Å; I517-K521 PolarHBondContact O-N 3.03Å; I517-L554 HydrophobicContact CB-CD1 3.48Å; I517-L554 VanDerWaalsContact CB-CD1 3.48Å; I517-L554 HydrophobicContact CB-CG 4.13Å; I517-L554 HydrophobicContact CD1-CD1 3.83Å; I517-L554 HydrophobicContact CD1-CD2 3.52Å; I517-L554 HydrophobicContact CD1-CG 3.61Å; I517-L554 HydrophobicContact CG1-CD1 4.24Å; I517-L554 HydrophobicContact CG1-CG 4.47Å; I517-L554 HydrophobicContact CG2-CD1 3.52Å; I517-L554 HydrophobicContact CG2-CG 3.94Å; I517-L558 HydrophobicContact CD1-CD1 4.38Å; I517-L558 HydrophobicContact CG2-CD2 3.84Å; I517-L558 HydrophobicContact CG2-CG 3.94Å
518	P	86.6	Confident	88.1	Confident	73 Å²	73	44.5 Å²	44.5	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-53.6	-47.4	170	-29.7	34.9	0	0	0	113.5	D516 K521 H522	D516-P518 WeakPolarHBondContact OD1-CD 3.49Å; P518-K521 PolarHBondContact O-N 3.43Å; P518-H522 PolarHBondContact O-N 2.85Å
519	Q	87.1	Confident	87.6	Confident	42 Å²	42	45.8 Å²	45.8	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-39.6	177.6	-165.8	179.2	24.2	0	0	111.3	L512 D516 I517 K521 H522 M523	L512-Q519 HydrophobicContact CD1-CG 4.38Å; L512-Q519 HydrophobicContact CD2-CB 4.24Å; L512-Q519 HydrophobicContact CD2-CG 4.13Å; D516-Q519 HydrophobicContact CB-CB 4.08Å; D516-Q519 PolarHBondContact OD1-N 3.47Å; I517-Q519 VanDerWaalsContact C-N 3.35Å; I517-Q519 PolarHBondContact O-N 3.08Å; Q519-K521 VanDerWaalsContact C-N 3.34Å; Q519-K521 PolarHBondContact O-N 2.65Å; Q519-H522 WeakPolarHBondContact O-CB 3.19Å; Q519-H522 PolarHBondContact O-N 2.99Å; Q519-M523 HydrophobicContact CG-CE 4.31Å; Q519-M523 HydrophobicContact CG-CG 4.44Å; Q519-M523 WeakPolarHBondContact O-CG 3.23Å; Q519-M523 PolarHBondContact O-N 2.92Å
520	F	90.4	Very high	87.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53.4	-49.8	171.1	170.3	-105	0	0	0	111.8	L509 L512 L513 D516 I517 H522 M523 V524 L537 V541 L558 V561	L509-F520 HydrophobicContact CB-CD2 4.26Å; L509-F520 HydrophobicContact CB-CE2 4.06Å; L509-F520 HydrophobicContact CD2-CD2 4.09Å; L509-F520 HydrophobicContact CD2-CE2 4.32Å; L509-F520 VanDerWaalsContact O-CD2 3.24Å; L509-F520 WeakPolarHBondContact O-CD2 3.35Å; L512-F520 HydrophobicContact CB-CB 3.84Å; L512-F520 HydrophobicContact CB-CD2 4.38Å; L513-F520 HydrophobicContact CB-CD2 3.97Å; L513-F520 HydrophobicContact CB-CE2 4.07Å; L513-F520 HydrophobicContact CB-CG 4.27Å; L513-F520 HydrophobicContact CB-CZ 4.46Å; L513-F520 HydrophobicContact CD1-CD1 3.96Å; L513-F520 HydrophobicContact CD1-CE1 3.8Å; L513-F520 HydrophobicContact CD1-CG 4.39Å; L513-F520 HydrophobicContact CD1-CZ 4.12Å; D516-F520 WeakPolarHBondContact O-CB 3.41Å; D516-F520 PolarHBondContact O-N 2.86Å; I517-F520 WeakPolarHBondContact O-CB 3.27Å; I517-F520 PolarHBondContact O-N 3.47Å; F520-H522 VanDerWaalsContact C-N 3.34Å; F520-H522 PolarHBondContact O-N 3.41Å; F520-M523 PolarHBondContact O-N 3.18Å; F520-V524 HydrophobicContact CD2-CG2 4.08Å; F520-V524 HydrophobicContact CE1-CG2 4.23Å; F520-V524 HydrophobicContact CE2-CG2 3.7Å; F520-V524 HydrophobicContact CZ-CG2 3.78Å; F520-V524 WeakPolarHBondContact O-CG2 3.39Å; F520-V524 PolarHBondContact O-N 3.15Å; F520-L537 HydrophobicContact CE2-CD2 4.45Å; F520-V541 HydrophobicContact CE1-CG2 3.95Å; F520-V541 HydrophobicContact CZ-CG2 3.71Å; F520-L558 HydrophobicContact CE1-CD2 4.38Å; F520-V561 HydrophobicContact CD1-CG2 4.45Å; F520-V561 HydrophobicContact CE1-CB 4.34Å; F520-V561 HydrophobicContact CE1-CG1 3.7Å; F520-V561 HydrophobicContact CE1-CG2 4.24Å; F520-V561 HydrophobicContact CZ-CG1 4.11Å
521	K	88.4	Confident	87.3	Confident	51 Å²	51	49.8 Å²	49.8	22%	0.222	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-46.9	177	172.9	-179.2	178	-165.8	0	111.2	I517 P518 Q519 M523 V524 L525 D557 V561	I517-K521 PolarHBondContact O-N 3.03Å; P518-K521 PolarHBondContact O-N 3.43Å; Q519-K521 VanDerWaalsContact C-N 3.34Å; Q519-K521 PolarHBondContact O-N 2.65Å; K521-M523 VanDerWaalsContact C-N 3.32Å; K521-M523 PolarHBondContact O-N 3.41Å; K521-V524 PolarHBondContact O-N 3.41Å; K521-L525 HydrophobicContact CG-CD1 3.87Å; K521-L525 VanDerWaalsContact O-CG 3.25Å; K521-L525 WeakPolarHBondContact O-CG 3.41Å; K521-L525 PolarHBondContact O-N 3.4Å; K521-L525 VanDerWaalsContact O-N 3.14Å; K521-D557 HydrophobicContact CD-CB 3.74Å; K521-D557 WeakPolarHBondContact CD-OD1 3.06Å; K521-D557 IonicContact NZ-OD1 3.84Å; K521-D557 PolarHBondContact NZ-OD1 2.88Å; K521-V561 HydrophobicContact CB-CG2 3.72Å; K521-V561 HydrophobicContact CG-CG2 3.74Å
522	H	89.1	Confident	87.3	Confident	109 Å²	109	49 Å²	49	51%	0.505	25%	0.253	S	S	.	.	H	α-helix	trans	-57	-47.5	178.9	-174.9	81.1	0	0	0	111.4	P518 Q519 F520 L525 Q526	P518-H522 PolarHBondContact O-N 2.85Å; Q519-H522 WeakPolarHBondContact O-CB 3.19Å; Q519-H522 PolarHBondContact O-N 2.99Å; F520-H522 VanDerWaalsContact C-N 3.34Å; F520-H522 PolarHBondContact O-N 3.41Å; H522-L525 PolarHBondContact O-N 3.01Å; H522-Q526 PolarHBondContact NE2-OE1 3.28Å; H522-Q526 WeakPolarHBondContact O-CB 3.48Å; H522-Q526 PolarHBondContact O-N 3.17Å
523	M	88.1	Confident	87.2	Confident	7 Å²	7	56 Å²	56	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-40.3	-178	-65	-56.3	154.8	0	0	112.8	V490 D491 L509 L512 Q519 F520 K521 L525 Q526 W527	V490-M523 HydrophobicContact CG1-CE 3.59Å; V490-M523 HydrophobicContact CG1-CG 3.63Å; V490-M523 HydrophobicContact CG1-SD 3.61Å; D491-M523 WeakPolarHBondContact OD1-CE 3.47Å; L509-M523 HydrophobicContact CD2-CB 3.91Å; L512-M523 HydrophobicContact CD1-CB 4.35Å; L512-M523 HydrophobicContact CD1-CG 3.96Å; Q519-M523 HydrophobicContact CG-CE 4.31Å; Q519-M523 HydrophobicContact CG-CG 4.44Å; Q519-M523 WeakPolarHBondContact O-CG 3.23Å; Q519-M523 PolarHBondContact O-N 2.92Å; F520-M523 PolarHBondContact O-N 3.18Å; K521-M523 VanDerWaalsContact C-N 3.32Å; K521-M523 PolarHBondContact O-N 3.41Å; M523-L525 PolarHBondContact O-N 3.47Å; M523-Q526 PolarHBondContact O-N 3.14Å; M523-W527 WeakPolarHBondContact O-CB 3.28Å; M523-W527 PolarHBondContact O-N 2.75Å
524	V	87.7	Confident	87.2	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-33.6	175.3	173.2	0	0	0	0	111.9	L509 F520 K521 V561 L565	L509-V524 HydrophobicContact CD1-CG2 4.38Å; L509-V524 HydrophobicContact CD2-CG2 3.94Å; F520-V524 HydrophobicContact CD2-CG2 4.08Å; F520-V524 HydrophobicContact CE1-CG2 4.23Å; F520-V524 HydrophobicContact CE2-CG2 3.7Å; F520-V524 HydrophobicContact CZ-CG2 3.78Å; F520-V524 WeakPolarHBondContact O-CG2 3.39Å; F520-V524 PolarHBondContact O-N 3.15Å; K521-V524 PolarHBondContact O-N 3.41Å; V524-V561 HydrophobicContact CB-CG1 4.35Å; V524-V561 HydrophobicContact CG1-CG1 3.92Å; V524-V561 HydrophobicContact CG2-CG1 4.35Å; V524-L565 HydrophobicContact CG1-CD2 4.23Å
525	L	86.8	Confident	87.3	Confident	91 Å²	91	55.5 Å²	55.5	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-77.7	-29	177.2	-66.8	171.9	0	0	0	113	K521 H522 M523 Q564	K521-L525 HydrophobicContact CG-CD1 3.87Å; K521-L525 VanDerWaalsContact O-CG 3.25Å; K521-L525 WeakPolarHBondContact O-CG 3.41Å; K521-L525 PolarHBondContact O-N 3.4Å; K521-L525 VanDerWaalsContact O-N 3.14Å; H522-L525 PolarHBondContact O-N 3.01Å; M523-L525 PolarHBondContact O-N 3.47Å; L525-Q564 HydrophobicContact CD2-CG 4.21Å
526	Q	87.6	Confident	87.3	Confident	123 Å²	123	51.6 Å²	51.6	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-85.5	-39.8	-178.7	-174.8	-177.5	-10.3	0	0	112.8	H522 M523	H522-Q526 PolarHBondContact NE2-OE1 3.28Å; H522-Q526 WeakPolarHBondContact O-CB 3.48Å; H522-Q526 PolarHBondContact O-N 3.17Å; M523-Q526 PolarHBondContact O-N 3.14Å
527	W	88.2	Confident	87.4	Confident	16 Å²	16	48.7 Å²	48.7	6%	0.061	25%	0.254	C	S	.	.	S	Bend	trans	-79.1	142.9	-175.9	-75.7	3.9	0	0	0	112.3	L493 T495 Y505 V508 L509 M523 L531 Y532	L493-W527 HydrophobicContact CB-CZ2 4.48Å; T495-W527 HydrophobicContact CG2-CG 4.47Å; Y505-W527 AromaticContact CD1-CE3 4Å; Y505-W527 HydrophobicContact CD1-CE3 4Å; Y505-W527 AromaticContact CD1-CH2 3.95Å; Y505-W527 HydrophobicContact CD1-CH2 3.95Å; Y505-W527 HydrophobicContact CD1-CZ2 4.47Å; Y505-W527 AromaticContact CD1-CZ3 3.69Å; Y505-W527 HydrophobicContact CD1-CZ3 3.69Å; Y505-W527 HydrophobicContact CG-CZ3 4.2Å; V508-W527 HydrophobicContact CB-CH2 4.31Å; V508-W527 HydrophobicContact CG1-CH2 3.95Å; L509-W527 HydrophobicContact CD1-CE3 4.12Å; L509-W527 HydrophobicContact CD1-CZ3 4.25Å; L509-W527 HydrophobicContact CD2-CE3 4.27Å; L509-W527 HydrophobicContact CD2-CZ3 4.18Å; L509-W527 HydrophobicContact CG-CE3 4.19Å; L509-W527 HydrophobicContact CG-CZ3 3.9Å; M523-W527 WeakPolarHBondContact O-CB 3.28Å; M523-W527 PolarHBondContact O-N 2.75Å; W527-L531 HydrophobicContact CB-CD1 4.06Å; W527-L531 HydrophobicContact CG-CD1 4.23Å; W527-Y532 HydrophobicContact CB-CE1 4.29Å
528	S	86.4	Confident	87.5	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	25%	0.253	S	S	.	.			trans	-63.4	138.4	174.5	-178.4	0	0	0	0	110.3	D530 L531	S528-D530 PolarHBondContact O-N 2.96Å; S528-D530 VanDerWaalsContact O-N 3.13Å; S528-L531 WeakPolarHBondContact O-CB 3.07Å; S528-L531 WeakPolarHBondContact O-CG 3.49Å; S528-L531 PolarHBondContact O-N 3.38Å; S528-L531 VanDerWaalsContact O-N 3.1Å
529	P	82.2	Confident	87.6	Confident	27 Å²	27	49.3 Å²	49.3	18%	0.175	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.7	-20.3	176.9	28.5	-40	0	0	0	113.5	L531 Y532 I534 H568	P529-L531 PolarHBondContact O-N 2.99Å; P529-Y532 VanDerWaalsContact O-O 3.06Å; P529-I534 HydrophobicContact CB-CD1 4.1Å; P529-I534 HydrophobicContact CB-CG1 4.38Å; P529-H568 HydrophobicContact CB-CB 4.19Å
530	D	86	Confident	87.7	Confident	125 Å²	125	49.1 Å²	49.1	67%	0.668	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-73.7	-12.5	178.9	-57	-37.8	0	0	0	113	S528	S528-D530 PolarHBondContact O-N 2.96Å; S528-D530 VanDerWaalsContact O-N 3.13Å
531	L	88.1	Confident	87.5	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.031	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-78.6	-19.5	-179.8	-63.2	177.1	0	0	0	112.9	T495 Q499 P502 Y505 W527 S528 P529	T495-L531 HydrophobicContact CG2-CD1 3.86Å; T495-L531 WeakPolarHBondContact O-CD2 3.38Å; Q499-L531 HydrophobicContact CG-CD2 3.69Å; P502-L531 VanDerWaalsContact CA-O 3.25Å; P502-L531 WeakPolarHBondContact CA-O 3.33Å; Y505-L531 HydrophobicContact CD1-CB 4.39Å; Y505-L531 HydrophobicContact CD2-CB 4.04Å; Y505-L531 WeakPolarHBondContact CD2-O 3.38Å; Y505-L531 HydrophobicContact CE1-CD1 4.33Å; Y505-L531 HydrophobicContact CE2-CB 4.24Å; Y505-L531 HydrophobicContact CE2-CD2 4.15Å; Y505-L531 HydrophobicContact CG-CB 4.09Å; W527-L531 HydrophobicContact CB-CD1 4.06Å; W527-L531 HydrophobicContact CG-CD1 4.23Å; S528-L531 WeakPolarHBondContact O-CB 3.07Å; S528-L531 WeakPolarHBondContact O-CG 3.49Å; S528-L531 PolarHBondContact O-N 3.38Å; S528-L531 VanDerWaalsContact O-N 3.1Å; P529-L531 PolarHBondContact O-N 2.99Å
532	Y	88.5	Confident	87.5	Confident	8 Å²	8	48.9 Å²	48.9	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	-143.1	158.7	-174.4	54.4	-99.8	0	0	0	111.7	L509 W527 P529 I534 L537 L565	L509-Y532 HydrophobicContact CD1-CD1 3.73Å; L509-Y532 HydrophobicContact CD1-CE1 4.03Å; L509-Y532 HydrophobicContact CD1-CG 4.02Å; W527-Y532 HydrophobicContact CB-CE1 4.29Å; P529-Y532 VanDerWaalsContact O-O 3.06Å; Y532-I534 HydrophobicContact CD2-CG1 4.46Å; Y532-I534 HydrophobicContact CE2-CG1 4.2Å; Y532-I534 PolarHBondContact O-N 3.01Å; Y532-L537 HydrophobicContact CD2-CD1 3.25Å; Y532-L537 HydrophobicContact CD2-CG 4.33Å; Y532-L537 HydrophobicContact CE2-CD1 3.51Å; Y532-L537 HydrophobicContact CG-CD1 3.82Å; Y532-L565 HydrophobicContact CE2-CD2 4.07Å
533	R	88.8	Confident	87.4	Confident	148 Å²	148	48.3 Å²	48.3	56%	0.558	25%	0.249	S	C	*	.			trans	-77	96.8	177.9	-63	-177.6	-173.6	-160.8	1.7	110.5	P502 E503 S535 A536 L537	P502-R533 HydrophobicContact CB-CG 4.17Å; E503-R533 IonicContact OE1-CZ 3.68Å; E503-R533 IonicContact OE1-NE 2.68Å; E503-R533 PolarHBondContact OE1-NE 3.1Å; E503-R533 IonicContact OE1-NH1 3.57Å; E503-R533 IonicContact OE1-NH2 2.73Å; E503-R533 PolarHBondContact OE1-NH2 2.97Å; R533-S535 VanDerWaalsContact C-N 3.29Å; R533-S535 PolarHBondContact O-N 3.32Å; R533-A536 HydrophobicContact CB-CB 4.18Å; R533-A536 PolarHBondContact O-N 2.8Å; R533-L537 PolarHBondContact O-N 2.92Å
534	I	87.2	Confident	87.2	Confident	32 Å²	32	51.5 Å²	51.5	16%	0.164	26%	0.26	C	S	.	.	H	α-helix	trans	-48.3	-48.8	-179.2	-57.9	158	0	0	0	111.8	P529 Y532 A536 L537 L538 L565 H568 E569	P529-I534 HydrophobicContact CB-CD1 4.1Å; P529-I534 HydrophobicContact CB-CG1 4.38Å; Y532-I534 HydrophobicContact CD2-CG1 4.46Å; Y532-I534 HydrophobicContact CE2-CG1 4.2Å; Y532-I534 PolarHBondContact O-N 3.01Å; I534-A536 VanDerWaalsContact C-N 3.27Å; I534-A536 PolarHBondContact O-N 2.84Å; I534-L537 PolarHBondContact O-N 2.98Å; I534-L538 VanDerWaalsContact O-CB 3.28Å; I534-L538 WeakPolarHBondContact O-CB 3.06Å; I534-L538 PolarHBondContact O-N 3.46Å; I534-L565 HydrophobicContact CG2-CB 4.4Å; I534-L565 HydrophobicContact CG2-CD2 4.19Å; I534-H568 HydrophobicContact CD1-CB 3.78Å; I534-H568 HydrophobicContact CG1-CB 4.45Å; I534-E569 HydrophobicContact CG2-CB 4.42Å
535	S	87.4	Confident	87	Confident	65 Å²	65	52.5 Å²	52.5	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-34.4	-177	-51.4	0	0	0	0	113.2	R533 I539	R533-S535 VanDerWaalsContact C-N 3.29Å; R533-S535 PolarHBondContact O-N 3.32Å; S535-I539 WeakPolarHBondContact O-CD1 3.38Å; S535-I539 VanDerWaalsContact O-CG1 3.28Å; S535-I539 WeakPolarHBondContact O-CG1 3.3Å; S535-I539 PolarHBondContact O-N 2.83Å
536	A	87.1	Confident	86.8	Confident	33 Å²	33	55.6 Å²	55.6	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-71.9	-44.9	179.1	0	0	0	0	0	111.6	R533 I534 L538 I539 E540	R533-A536 HydrophobicContact CB-CB 4.18Å; R533-A536 PolarHBondContact O-N 2.8Å; I534-A536 VanDerWaalsContact C-N 3.27Å; I534-A536 PolarHBondContact O-N 2.84Å; A536-L538 VanDerWaalsContact C-N 3.34Å; A536-I539 PolarHBondContact O-N 3.05Å; A536-E540 PolarHBondContact O-N 3.28Å
537	L	88.9	Confident	86.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-39.6	174.9	-78.2	178.5	0	0	0	112.2	L509 M510 F520 Y532 R533 I534 I539 E540 V541 L565	L509-L537 HydrophobicContact CB-CD1 4.46Å; L509-L537 HydrophobicContact CB-CD2 4.02Å; L509-L537 HydrophobicContact CD1-CD1 3.54Å; M510-L537 HydrophobicContact CG-CD2 4.38Å; M510-L537 HydrophobicContact SD-CD2 3.99Å; F520-L537 HydrophobicContact CE2-CD2 4.45Å; Y532-L537 HydrophobicContact CD2-CD1 3.25Å; Y532-L537 HydrophobicContact CD2-CG 4.33Å; Y532-L537 HydrophobicContact CE2-CD1 3.51Å; Y532-L537 HydrophobicContact CG-CD1 3.82Å; R533-L537 PolarHBondContact O-N 2.92Å; I534-L537 PolarHBondContact O-N 2.98Å; L537-I539 VanDerWaalsContact C-N 3.32Å; L537-I539 PolarHBondContact O-N 3.4Å; L537-E540 PolarHBondContact O-N 2.94Å; L537-E540 VanDerWaalsContact O-N 3.1Å; L537-V541 WeakPolarHBondContact O-CG2 3.36Å; L537-V541 PolarHBondContact O-N 3Å; L537-L565 HydrophobicContact CB-CD1 4.37Å
538	L	87.1	Confident	85.4	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-44.3	179.6	-170	155.4	0	0	0	111.1	I534 A536 E540 V541 I542 L562 L565 Y566 E569	I534-L538 VanDerWaalsContact O-CB 3.28Å; I534-L538 WeakPolarHBondContact O-CB 3.06Å; I534-L538 PolarHBondContact O-N 3.46Å; A536-L538 VanDerWaalsContact C-N 3.34Å; L538-E540 VanDerWaalsContact C-N 3.3Å; L538-E540 PolarHBondContact O-N 3.18Å; L538-V541 PolarHBondContact O-N 3.41Å; L538-I542 HydrophobicContact CD2-CD1 3.43Å; L538-I542 VanDerWaalsContact CD2-CD1 3.43Å; L538-I542 HydrophobicContact CD2-CG1 4.29Å; L538-I542 HydrophobicContact CG-CD1 4.45Å; L538-I542 VanDerWaalsContact O-CG1 3.28Å; L538-I542 WeakPolarHBondContact O-CG1 3.42Å; L538-I542 PolarHBondContact O-N 3.26Å; L538-L562 HydrophobicContact CG-CD1 4.35Å; L538-L565 HydrophobicContact CD1-CB 4.33Å; L538-Y566 HydrophobicContact CD1-CD1 3.69Å; L538-Y566 HydrophobicContact CD1-CE1 3.78Å; L538-Y566 HydrophobicContact CD2-CE1 4.02Å; L538-Y566 HydrophobicContact CG-CE1 4.25Å; L538-E569 VanDerWaalsContact CD1-OE2 3.23Å; L538-E569 WeakPolarHBondContact CD1-OE2 3.3Å
539	I	89.3	Confident	84.2	Confident	90 Å²	90	63.6 Å²	63.6	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-43.2	174.9	-68.7	164.5	0	0	0	110.7	S535 A536 L537 K543	S535-I539 WeakPolarHBondContact O-CD1 3.38Å; S535-I539 VanDerWaalsContact O-CG1 3.28Å; S535-I539 WeakPolarHBondContact O-CG1 3.3Å; S535-I539 PolarHBondContact O-N 2.83Å; A536-I539 PolarHBondContact O-N 3.05Å; L537-I539 VanDerWaalsContact C-N 3.32Å; L537-I539 PolarHBondContact O-N 3.4Å; I539-K543 HydrophobicContact CG2-CD 4.08Å; I539-K543 VanDerWaalsContact CG2-CE 3.48Å; I539-K543 VanDerWaalsContact O-CG 3.28Å; I539-K543 WeakPolarHBondContact O-CG 3.5Å; I539-K543 PolarHBondContact O-N 2.85Å
540	E	87.5	Confident	82.9	Confident	39 Å²	39	69.2 Å²	69.2	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-71.9	-40.9	-178.3	-164.1	61	-148.1	0	0	113	M510 L513 A536 L537 L538 I542 K543 R544	M510-E540 HydrophobicContact CE-CB 4.06Å; M510-E540 HydrophobicContact CE-CG 3.55Å; M510-E540 HydrophobicContact SD-CB 3.9Å; M510-E540 HydrophobicContact SD-CG 3.82Å; L513-E540 HydrophobicContact CD2-CB 4.09Å; L513-E540 HydrophobicContact CD2-CG 3.57Å; A536-E540 PolarHBondContact O-N 3.28Å; L537-E540 PolarHBondContact O-N 2.94Å; L537-E540 VanDerWaalsContact O-N 3.1Å; L538-E540 VanDerWaalsContact C-N 3.3Å; L538-E540 PolarHBondContact O-N 3.18Å; E540-I542 VanDerWaalsContact C-N 3.31Å; E540-I542 PolarHBondContact O-N 2.87Å; E540-K543 WeakPolarHBondContact O-CB 3.28Å; E540-K543 PolarHBondContact O-N 3.05Å; E540-K543 WeakPolarHBondContact OE2-CD 3.49Å; E540-K543 IonicContact OE2-NZ 2.81Å; E540-R544 WeakPolarHBondContact O-CB 3.14Å; E540-R544 PolarHBondContact O-N 3.45Å
541	V	87.8	Confident	81.6	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-42	175.1	172.6	0	0	0	0	110.7	L513 F520 L537 L538 R544 L545 V561 L562 L565	L513-V541 HydrophobicContact CD2-CG2 4.35Å; F520-V541 HydrophobicContact CE1-CG2 3.95Å; F520-V541 HydrophobicContact CZ-CG2 3.71Å; L537-V541 WeakPolarHBondContact O-CG2 3.36Å; L537-V541 PolarHBondContact O-N 3Å; L538-V541 PolarHBondContact O-N 3.41Å; V541-R544 PolarHBondContact O-N 3.42Å; V541-L545 HydrophobicContact CG1-CD1 4Å; V541-L545 WeakPolarHBondContact O-CB 3.41Å; V541-L545 WeakPolarHBondContact O-CG 3.26Å; V541-L545 PolarHBondContact O-N 2.89Å; V541-V561 HydrophobicContact CG2-CG1 4.45Å; V541-L562 HydrophobicContact CG1-CB 4.19Å; V541-L562 HydrophobicContact CG1-CD1 4.37Å; V541-L565 HydrophobicContact CG2-CD1 4.02Å
542	I	87.3	Confident	80.8	Confident	45 Å²	45	70.7 Å²	70.7	23%	0.231	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-47.3	174.9	-69.5	175.5	0	0	0	111	L538 E540 R544 L545 Q546 L562 Y566	L538-I542 HydrophobicContact CD2-CD1 3.43Å; L538-I542 VanDerWaalsContact CD2-CD1 3.43Å; L538-I542 HydrophobicContact CD2-CG1 4.29Å; L538-I542 HydrophobicContact CG-CD1 4.45Å; L538-I542 VanDerWaalsContact O-CG1 3.28Å; L538-I542 WeakPolarHBondContact O-CG1 3.42Å; L538-I542 PolarHBondContact O-N 3.26Å; E540-I542 VanDerWaalsContact C-N 3.31Å; E540-I542 PolarHBondContact O-N 2.87Å; I542-R544 VanDerWaalsContact C-N 3.26Å; I542-R544 PolarHBondContact O-N 3.47Å; I542-L545 PolarHBondContact O-N 3.42Å; I542-Q546 HydrophobicContact CG2-CG 4.44Å; I542-Q546 WeakPolarHBondContact O-CG 3.28Å; I542-Q546 PolarHBondContact O-N 3.32Å; I542-L562 HydrophobicContact CD1-CD1 4.4Å; I542-L562 HydrophobicContact CG1-CD1 3.87Å; I542-Y566 WeakPolarHBondContact CD1-OH 3.37Å
543	K	86.7	Confident	80.1	Confident	97 Å²	97	75.5 Å²	75.5	42%	0.422	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-40.5	176	-74.7	167.7	178.9	173.2	0	111.5	I539 E540 Q546 K547	I539-K543 HydrophobicContact CG2-CD 4.08Å; I539-K543 VanDerWaalsContact CG2-CE 3.48Å; I539-K543 VanDerWaalsContact O-CG 3.28Å; I539-K543 WeakPolarHBondContact O-CG 3.5Å; I539-K543 PolarHBondContact O-N 2.85Å; E540-K543 WeakPolarHBondContact O-CB 3.28Å; E540-K543 PolarHBondContact O-N 3.05Å; E540-K543 WeakPolarHBondContact OE2-CD 3.49Å; E540-K543 IonicContact OE2-NZ 2.81Å; K543-Q546 PolarHBondContact O-N 3.18Å; K543-K547 WeakPolarHBondContact O-CG 3.21Å; K543-K547 PolarHBondContact O-N 2.99Å
544	R	84.5	Confident	79.6	Confident	74 Å²	74	71.2 Å²	71.2	28%	0.279	39%	0.387	S	S	.	.	H	α-helix	trans	-67.9	-40.4	178.4	-171.7	65.7	176.2	94.7	-4.7	112.2	L513 E540 V541 I542 K547 G548 L558	L513-R544 HydrophobicContact CD1-CB 4.48Å; L513-R544 HydrophobicContact CD1-CG 4.18Å; E540-R544 WeakPolarHBondContact O-CB 3.14Å; E540-R544 PolarHBondContact O-N 3.45Å; V541-R544 PolarHBondContact O-N 3.42Å; I542-R544 VanDerWaalsContact C-N 3.26Å; I542-R544 PolarHBondContact O-N 3.47Å; R544-K547 PolarHBondContact O-N 3.35Å; R544-G548 PolarHBondContact O-N 2.84Å; R544-L558 HydrophobicContact CG-CD1 4.09Å
545	L	83.7	Confident	79.4	Confident	23 Å²	23	71.6 Å²	71.6	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-63.9	-41	175	-81.1	166.8	0	0	0	112	V541 I542 K547 G548 H555 L558 L559 L562	V541-L545 HydrophobicContact CG1-CD1 4Å; V541-L545 WeakPolarHBondContact O-CB 3.41Å; V541-L545 WeakPolarHBondContact O-CG 3.26Å; V541-L545 PolarHBondContact O-N 2.89Å; I542-L545 PolarHBondContact O-N 3.42Å; L545-K547 VanDerWaalsContact C-N 3.31Å; L545-K547 PolarHBondContact O-N 3.02Å; L545-G548 PolarHBondContact O-N 3.03Å; L545-H555 WeakPolarHBondContact CD2-ND1 3.3Å; L545-L558 HydrophobicContact CD1-CB 4.42Å; L545-L558 HydrophobicContact CD2-CB 3.56Å; L545-L558 HydrophobicContact CD2-CD1 4.09Å; L545-L558 HydrophobicContact CD2-CG 4.49Å; L545-L558 HydrophobicContact CG-CB 3.97Å; L545-L558 HydrophobicContact CG-CD1 4.33Å; L545-L559 HydrophobicContact CD1-CD2 4.4Å; L545-L559 HydrophobicContact CD2-CD2 4.48Å; L545-L559 HydrophobicContact CD2-CG 4.45Å; L545-L562 HydrophobicContact CD1-CB 4.3Å; L545-L562 HydrophobicContact CD1-CD2 3.64Å; L545-L562 HydrophobicContact CD1-CG 4.48Å
546	Q	83.3	Confident	79.2	Confident	155 Å²	155	75 Å²	75	72%	0.724	39%	0.39	S	S	*	.	H	α-helix	trans	-65.7	-31.4	177.1	-73.3	176.6	-5.9	0	0	113.1	I542 K543	I542-Q546 HydrophobicContact CG2-CG 4.44Å; I542-Q546 WeakPolarHBondContact O-CG 3.28Å; I542-Q546 PolarHBondContact O-N 3.32Å; K543-Q546 PolarHBondContact O-N 3.18Å
547	K	78.2	Confident	79	Confident	165 Å²	165	75 Å²	75	72%	0.717	39%	0.386	S	S	*	.	H	α-helix	trans	-79.5	-19.2	176.6	-70.9	175.7	-178.6	176.9	0	113.6	K543 R544 L545	K543-K547 WeakPolarHBondContact O-CG 3.21Å; K543-K547 PolarHBondContact O-N 2.99Å; R544-K547 PolarHBondContact O-N 3.35Å; L545-K547 VanDerWaalsContact C-N 3.31Å; L545-K547 PolarHBondContact O-N 3.02Å
548	G	68	Low	78.9	Confident	28 Å²	28	75.4 Å²	75.4	29%	0.289	39%	0.388	S	S	.	.	S	Bend	trans	-83.8	152.8	-171.6	0	0	0	0	0	114.4	R544 L545	R544-G548 PolarHBondContact O-N 2.84Å; L545-G548 PolarHBondContact O-N 3.03Å
549	Q	61.1	Low	78.9	Confident	168 Å²	168	76.9 Å²	76.9	79%	0.785	40%	0.396	S	S	*	.			trans	-74.7	131.7	166.2	-75	158.8	-23.7	0	0	110	A551	Q549-A551 VanDerWaalsContact C-N 3.26Å; Q549-A551 PolarHBondContact O-N 3.31Å
550	L	55.3	Low	78.8	Confident	145 Å²	145	73.3 Å²	73.3	76%	0.759	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.9	-164.5	-82.3	99.2	0	0	0	116.8	H555	L550-H555 PolarHBondContact O-CD2 3.01Å
551	A	58	Low	78.8	Confident	100 Å²	100	71.5 Å²	71.5	83%	0.826	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	30.3	-161.7	0	0	0	0	0	115	Q549	Q549-A551 VanDerWaalsContact C-N 3.26Å; Q549-A551 PolarHBondContact O-N 3.31Å
552	T	70.7	Confident	78.9	Confident	62 Å²	62	72 Å²	72	38%	0.38	37%	0.373	S	S	.	.	S	Bend	trans	-101.3	149.1	177.1	53.7	0	0	0	0	111.3	L554 H555	T552-L554 PolarHBondContact O-N 3.35Å; T552-L554 VanDerWaalsContact O-N 3.13Å; T552-L554 WeakPolarHBondContact OG1-CB 3.19Å; T552-H555 WeakPolarHBondContact O-CA 3.4Å; T552-H555 WeakPolarHBondContact O-CB 3.46Å; T552-H555 PolarHBondContact O-N 3.12Å; T552-H555 PolarHBondContact OG1-N 3.41Å
553	P	74.6	Confident	78.9	Confident	110 Å²	110	69.9 Å²	69.9	71%	0.714	36%	0.362	S	S	*	.	H	α-helix	trans	-53.5	-31.6	170.4	20.1	-31	0	0	0	111.8	H555 R556 D557	P553-H555 VanDerWaalsContact C-N 3.28Å; P553-H555 PolarHBondContact O-N 3.2Å; P553-R556 WeakPolarHBondContact O-CB 3.39Å; P553-R556 PolarHBondContact O-N 2.98Å; P553-R556 VanDerWaalsContact O-N 3.11Å; P553-D557 PolarHBondContact O-N 2.83Å
554	L	78.4	Confident	78.9	Confident	57 Å²	57	67.5 Å²	67.5	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-54.1	-38.7	170.4	-151.4	66.2	0	0	0	114	I517 T552 D557 L558	I517-L554 HydrophobicContact CB-CD1 3.48Å; I517-L554 VanDerWaalsContact CB-CD1 3.48Å; I517-L554 HydrophobicContact CB-CG 4.13Å; I517-L554 HydrophobicContact CD1-CD1 3.83Å; I517-L554 HydrophobicContact CD1-CD2 3.52Å; I517-L554 HydrophobicContact CD1-CG 3.61Å; I517-L554 HydrophobicContact CG1-CD1 4.24Å; I517-L554 HydrophobicContact CG1-CG 4.47Å; I517-L554 HydrophobicContact CG2-CD1 3.52Å; I517-L554 HydrophobicContact CG2-CG 3.94Å; T552-L554 PolarHBondContact O-N 3.35Å; T552-L554 VanDerWaalsContact O-N 3.13Å; T552-L554 WeakPolarHBondContact OG1-CB 3.19Å; L554-D557 PolarHBondContact O-N 3.28Å; L554-L558 WeakPolarHBondContact O-CG 3.25Å; L554-L558 PolarHBondContact O-N 2.87Å
555	H	81.5	Confident	79.1	Confident	40 Å²	40	64 Å²	64	19%	0.185	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-41.7	177.3	-173.6	77.8	0	0	0	111.1	L545 L550 T552 P553 D557 L558 L559	L545-H555 WeakPolarHBondContact CD2-ND1 3.3Å; L550-H555 PolarHBondContact O-CD2 3.01Å; T552-H555 WeakPolarHBondContact O-CA 3.4Å; T552-H555 WeakPolarHBondContact O-CB 3.46Å; T552-H555 PolarHBondContact O-N 3.12Å; T552-H555 PolarHBondContact OG1-N 3.41Å; P553-H555 VanDerWaalsContact C-N 3.28Å; P553-H555 PolarHBondContact O-N 3.2Å; H555-D557 VanDerWaalsContact C-N 3.31Å; H555-D557 PolarHBondContact O-N 3.13Å; H555-L558 PolarHBondContact O-N 3.31Å; H555-L559 WeakPolarHBondContact O-CB 3.31Å; H555-L559 WeakPolarHBondContact O-CG 3.45Å; H555-L559 PolarHBondContact O-N 3.41Å
556	R	83.3	Confident	79.3	Confident	136 Å²	136	64.5 Å²	64.5	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-39.9	174.3	173.3	169.1	178.2	110.3	7.7	111.4	P553 L559 S560 L582	P553-R556 WeakPolarHBondContact O-CB 3.39Å; P553-R556 PolarHBondContact O-N 2.98Å; P553-R556 VanDerWaalsContact O-N 3.11Å; R556-L559 PolarHBondContact O-N 2.91Å; R556-S560 WeakPolarHBondContact O-CB 3.48Å; R556-S560 PolarHBondContact O-N 3.46Å; R556-L582 HydrophobicContact CG-CD2 3.85Å; R556-L582 PolarHBondContact NH1-O 2.94Å; R556-L582 VanDerWaalsContact NH1-O 3.1Å; R556-L582 PolarHBondContact NH2-O 3.09Å
557	D	84.7	Confident	79.5	Confident	35 Å²	35	57.6 Å²	57.6	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-45	176.4	-75	-25	0	0	0	112.7	K521 P553 L554 H555 L559 S560 V561	K521-D557 HydrophobicContact CD-CB 3.74Å; K521-D557 WeakPolarHBondContact CD-OD1 3.06Å; K521-D557 IonicContact NZ-OD1 3.84Å; K521-D557 PolarHBondContact NZ-OD1 2.88Å; P553-D557 PolarHBondContact O-N 2.83Å; L554-D557 PolarHBondContact O-N 3.28Å; H555-D557 VanDerWaalsContact C-N 3.31Å; H555-D557 PolarHBondContact O-N 3.13Å; D557-L559 VanDerWaalsContact C-N 3.35Å; D557-L559 PolarHBondContact O-N 3.16Å; D557-S560 WeakPolarHBondContact O-CB 3.39Å; D557-S560 PolarHBondContact O-N 3.22Å; D557-V561 WeakPolarHBondContact O-CG2 3.1Å; D557-V561 PolarHBondContact O-N 3.27Å
558	L	85.9	Confident	79.8	Confident	7 Å²	7	52 Å²	52	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-36.7	175.1	-71.7	174.1	0	0	0	112.6	L513 I517 F520 R544 L545 L554 H555 V561 L562	L513-L558 HydrophobicContact CD1-CD2 3.78Å; I517-L558 HydrophobicContact CD1-CD1 4.38Å; I517-L558 HydrophobicContact CG2-CD2 3.84Å; I517-L558 HydrophobicContact CG2-CG 3.94Å; F520-L558 HydrophobicContact CE1-CD2 4.38Å; R544-L558 HydrophobicContact CG-CD1 4.09Å; L545-L558 HydrophobicContact CD1-CB 4.42Å; L545-L558 HydrophobicContact CD2-CB 3.56Å; L545-L558 HydrophobicContact CD2-CD1 4.09Å; L545-L558 HydrophobicContact CD2-CG 4.49Å; L545-L558 HydrophobicContact CG-CB 3.97Å; L545-L558 HydrophobicContact CG-CD1 4.33Å; L554-L558 WeakPolarHBondContact O-CG 3.25Å; L554-L558 PolarHBondContact O-N 2.87Å; H555-L558 PolarHBondContact O-N 3.31Å; L558-V561 PolarHBondContact O-N 3.37Å; L558-L562 VanDerWaalsContact O-CB 3.31Å; L558-L562 WeakPolarHBondContact O-CB 3.35Å; L558-L562 PolarHBondContact O-N 2.93Å
559	L	87	Confident	80.7	Confident	38 Å²	38	52.9 Å²	52.9	20%	0.199	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-40.2	173.6	-76.2	175.9	0	0	0	111.8	L545 H555 R556 D557 L562 A563 I578 L582	L545-L559 HydrophobicContact CD1-CD2 4.4Å; L545-L559 HydrophobicContact CD2-CD2 4.48Å; L545-L559 HydrophobicContact CD2-CG 4.45Å; H555-L559 WeakPolarHBondContact O-CB 3.31Å; H555-L559 WeakPolarHBondContact O-CG 3.45Å; H555-L559 PolarHBondContact O-N 3.41Å; R556-L559 PolarHBondContact O-N 2.91Å; D557-L559 VanDerWaalsContact C-N 3.35Å; D557-L559 PolarHBondContact O-N 3.16Å; L559-L562 PolarHBondContact O-N 3.42Å; L559-A563 PolarHBondContact O-N 2.97Å; L559-I578 HydrophobicContact CB-CG2 4.04Å; L559-I578 HydrophobicContact CD2-CG2 4.39Å; L559-I578 WeakPolarHBondContact O-CG2 3.48Å; L559-L582 HydrophobicContact CB-CD1 4.05Å; L559-L582 HydrophobicContact CB-CD2 4.23Å; L559-L582 HydrophobicContact CB-CG 4.49Å; L559-L582 HydrophobicContact CD1-CD2 4.27Å
560	S	86.7	Confident	81.8	Confident	16 Å²	16	51.9 Å²	51.9	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-45.2	175.2	172.4	0	0	0	0	110.9	R556 D557 A563 Q564	R556-S560 WeakPolarHBondContact O-CB 3.48Å; R556-S560 PolarHBondContact O-N 3.46Å; D557-S560 WeakPolarHBondContact O-CB 3.39Å; D557-S560 PolarHBondContact O-N 3.22Å; S560-A563 PolarHBondContact O-N 2.91Å; S560-Q564 PolarHBondContact O-N 3.5Å; S560-Q564 VanDerWaalsContact O-N 3.16Å
561	V	88.5	Confident	83.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-44.9	173.7	173	0	0	0	0	111.5	F520 K521 V524 V541 D557 L558 A563 Q564 L565	F520-V561 HydrophobicContact CD1-CG2 4.45Å; F520-V561 HydrophobicContact CE1-CB 4.34Å; F520-V561 HydrophobicContact CE1-CG1 3.7Å; F520-V561 HydrophobicContact CE1-CG2 4.24Å; F520-V561 HydrophobicContact CZ-CG1 4.11Å; K521-V561 HydrophobicContact CB-CG2 3.72Å; K521-V561 HydrophobicContact CG-CG2 3.74Å; V524-V561 HydrophobicContact CB-CG1 4.35Å; V524-V561 HydrophobicContact CG1-CG1 3.92Å; V524-V561 HydrophobicContact CG2-CG1 4.35Å; V541-V561 HydrophobicContact CG2-CG1 4.45Å; D557-V561 WeakPolarHBondContact O-CG2 3.1Å; D557-V561 PolarHBondContact O-N 3.27Å; L558-V561 PolarHBondContact O-N 3.37Å; V561-A563 VanDerWaalsContact C-N 3.34Å; V561-A563 PolarHBondContact O-N 2.89Å; V561-Q564 WeakPolarHBondContact O-CB 3.43Å; V561-Q564 PolarHBondContact O-N 3.11Å; V561-L565 HydrophobicContact CG1-CD1 3.91Å; V561-L565 HydrophobicContact CG1-CG 4.16Å; V561-L565 WeakPolarHBondContact O-CG 3.22Å; V561-L565 PolarHBondContact O-N 3.48Å
562	L	89.6	Confident	84.7	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-42.7	179.3	-178.5	64.3	0	0	0	112	L538 V541 I542 L545 L558 L559 Q564 L565 Y566 I578	L538-L562 HydrophobicContact CG-CD1 4.35Å; V541-L562 HydrophobicContact CG1-CB 4.19Å; V541-L562 HydrophobicContact CG1-CD1 4.37Å; I542-L562 HydrophobicContact CD1-CD1 4.4Å; I542-L562 HydrophobicContact CG1-CD1 3.87Å; L545-L562 HydrophobicContact CD1-CB 4.3Å; L545-L562 HydrophobicContact CD1-CD2 3.64Å; L545-L562 HydrophobicContact CD1-CG 4.48Å; L558-L562 VanDerWaalsContact O-CB 3.31Å; L558-L562 WeakPolarHBondContact O-CB 3.35Å; L558-L562 PolarHBondContact O-N 2.93Å; L559-L562 PolarHBondContact O-N 3.42Å; L562-Q564 VanDerWaalsContact C-N 3.31Å; L562-Q564 PolarHBondContact O-N 3.33Å; L562-L565 PolarHBondContact O-N 3.35Å; L562-Y566 HydrophobicContact CD1-CD2 4.03Å; L562-Y566 HydrophobicContact CD1-CE2 3.57Å; L562-Y566 HydrophobicContact CD2-CE2 3.81Å; L562-Y566 HydrophobicContact CG-CD2 3.81Å; L562-Y566 HydrophobicContact CG-CE2 3.46Å; L562-Y566 VanDerWaalsContact CG-CE2 3.46Å; L562-Y566 VanDerWaalsContact O-CD2 3.3Å; L562-Y566 WeakPolarHBondContact O-CD2 3.03Å; L562-Y566 PolarHBondContact O-N 2.95Å; L562-I578 HydrophobicContact CD2-CD1 3.81Å; L562-I578 HydrophobicContact CG-CD1 3.97Å
563	A	86.5	Confident	85.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-40.9	175.8	0	0	0	0	0	111.9	L559 S560 V561 T567 I578 Y579	L559-A563 PolarHBondContact O-N 2.97Å; S560-A563 PolarHBondContact O-N 2.91Å; V561-A563 VanDerWaalsContact C-N 3.34Å; V561-A563 PolarHBondContact O-N 2.89Å; A563-T567 WeakPolarHBondContact O-CB 3.46Å; A563-T567 PolarHBondContact O-N 3.35Å; A563-T567 PolarHBondContact O-OG1 2.94Å; A563-I578 HydrophobicContact CB-CB 3.98Å; A563-I578 HydrophobicContact CB-CG2 3.76Å; A563-Y579 HydrophobicContact CB-CD1 4.03Å; A563-Y579 HydrophobicContact CB-CD2 4.22Å; A563-Y579 HydrophobicContact CB-CE1 3.74Å; A563-Y579 HydrophobicContact CB-CE2 3.9Å; A563-Y579 HydrophobicContact CB-CG 4.27Å
564	Q	87.4	Confident	86	Confident	47 Å²	47	48.8 Å²	48.8	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-44.9	176	-171.2	65.2	22.6	0	0	111.8	L525 S560 V561 L562 Y566 T567 H568 Y579	L525-Q564 HydrophobicContact CD2-CG 4.21Å; S560-Q564 PolarHBondContact O-N 3.5Å; S560-Q564 VanDerWaalsContact O-N 3.16Å; V561-Q564 WeakPolarHBondContact O-CB 3.43Å; V561-Q564 PolarHBondContact O-N 3.11Å; L562-Q564 VanDerWaalsContact C-N 3.31Å; L562-Q564 PolarHBondContact O-N 3.33Å; Q564-Y566 PolarHBondContact O-N 3.12Å; Q564-T567 VanDerWaalsContact O-CB 3.27Å; Q564-T567 WeakPolarHBondContact O-CB 3.37Å; Q564-T567 PolarHBondContact O-N 2.6Å; Q564-T567 VanDerWaalsContact O-N 3.14Å; Q564-H568 PolarHBondContact NE2-CE1 2.73Å; Q564-H568 PolarHBondContact NE2-NE2 3.2Å; Q564-H568 PolarHBondContact O-CD2 3.23Å; Q564-H568 PolarHBondContact O-N 2.75Å; Q564-Y579 PolarHBondContact OE1-OH 3.49Å
565	L	88.2	Confident	86.5	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-42.5	176.9	-67.6	175.7	0	0	0	111.7	V524 Y532 I534 L537 L538 V541 V561 L562 T567 H568 E569	V524-L565 HydrophobicContact CG1-CD2 4.23Å; Y532-L565 HydrophobicContact CE2-CD2 4.07Å; I534-L565 HydrophobicContact CG2-CB 4.4Å; I534-L565 HydrophobicContact CG2-CD2 4.19Å; L537-L565 HydrophobicContact CB-CD1 4.37Å; L538-L565 HydrophobicContact CD1-CB 4.33Å; V541-L565 HydrophobicContact CG2-CD1 4.02Å; V561-L565 HydrophobicContact CG1-CD1 3.91Å; V561-L565 HydrophobicContact CG1-CG 4.16Å; V561-L565 WeakPolarHBondContact O-CG 3.22Å; V561-L565 PolarHBondContact O-N 3.48Å; L562-L565 PolarHBondContact O-N 3.35Å; L565-T567 VanDerWaalsContact C-N 3.3Å; L565-T567 PolarHBondContact O-N 3.34Å; L565-H568 PolarHBondContact O-N 3.12Å; L565-E569 PolarHBondContact O-N 2.85Å
566	Y	88.6	Confident	86.7	Confident	33 Å²	33	44.4 Å²	44.4	13%	0.129	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-37	173.2	-78.6	-46.4	0	0	0	112.8	L538 I542 L562 Q564 H568 E569 Q570 R571 P574 I578	L538-Y566 HydrophobicContact CD1-CD1 3.69Å; L538-Y566 HydrophobicContact CD1-CE1 3.78Å; L538-Y566 HydrophobicContact CD2-CE1 4.02Å; L538-Y566 HydrophobicContact CG-CE1 4.25Å; I542-Y566 WeakPolarHBondContact CD1-OH 3.37Å; L562-Y566 HydrophobicContact CD1-CD2 4.03Å; L562-Y566 HydrophobicContact CD1-CE2 3.57Å; L562-Y566 HydrophobicContact CD2-CE2 3.81Å; L562-Y566 HydrophobicContact CG-CD2 3.81Å; L562-Y566 HydrophobicContact CG-CE2 3.46Å; L562-Y566 VanDerWaalsContact CG-CE2 3.46Å; L562-Y566 VanDerWaalsContact O-CD2 3.3Å; L562-Y566 WeakPolarHBondContact O-CD2 3.03Å; L562-Y566 PolarHBondContact O-N 2.95Å; Q564-Y566 PolarHBondContact O-N 3.12Å; Y566-H568 VanDerWaalsContact C-N 3.3Å; Y566-H568 PolarHBondContact O-N 3.21Å; Y566-E569 CarbonylContact O-C 3.59Å; Y566-E569 PolarHBondContact O-N 3.04Å; Y566-Q570 PolarHBondContact O-N 3.45Å; Y566-R571 HydrophobicContact CD1-CB 3.96Å; Y566-R571 PolarHBondContact O-N 3.46Å; Y566-P574 HydrophobicContact CD2-CB 3.91Å; Y566-P574 HydrophobicContact CE2-CB 3.88Å; Y566-P574 HydrophobicContact CG-CB 4.3Å; Y566-I578 HydrophobicContact CD2-CD1 3.87Å; Y566-I578 HydrophobicContact CE2-CD1 3.87Å
567	T	86.6	Confident	86.9	Confident	10 Å²	10	41 Å²	41	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-42.3	174.9	-61.2	0	0	0	0	111.1	A563 Q564 L565 Q570 Y579 L590	A563-T567 WeakPolarHBondContact O-CB 3.46Å; A563-T567 PolarHBondContact O-N 3.35Å; A563-T567 PolarHBondContact O-OG1 2.94Å; Q564-T567 VanDerWaalsContact O-CB 3.27Å; Q564-T567 WeakPolarHBondContact O-CB 3.37Å; Q564-T567 PolarHBondContact O-N 2.6Å; Q564-T567 VanDerWaalsContact O-N 3.14Å; L565-T567 VanDerWaalsContact C-N 3.3Å; L565-T567 PolarHBondContact O-N 3.34Å; T567-Q570 PolarHBondContact O-N 3.19Å; T567-Y579 WeakPolarHBondContact OG1-CE2 3.38Å; T567-Y579 PolarHBondContact OG1-OH 2.77Å; T567-L590 HydrophobicContact CG2-CD1 3.49Å; T567-L590 VanDerWaalsContact CG2-CD1 3.49Å; T567-L590 HydrophobicContact CG2-CD2 4.32Å; T567-L590 HydrophobicContact CG2-CG 4.5Å
568	H	85.4	Confident	87	Confident	48 Å²	48	40 Å²	40	22%	0.222	19%	0.191	C	C	.	.	H	α-helix	trans	-71.1	-34.1	176.8	-68.6	-60.9	0	0	0	113.2	P529 I534 Q564 L565 Y566 Q570	P529-H568 HydrophobicContact CB-CB 4.19Å; I534-H568 HydrophobicContact CD1-CB 3.78Å; I534-H568 HydrophobicContact CG1-CB 4.45Å; Q564-H568 PolarHBondContact NE2-CE1 2.73Å; Q564-H568 PolarHBondContact NE2-NE2 3.2Å; Q564-H568 PolarHBondContact O-CD2 3.23Å; Q564-H568 PolarHBondContact O-N 2.75Å; L565-H568 PolarHBondContact O-N 3.12Å; Y566-H568 VanDerWaalsContact C-N 3.3Å; Y566-H568 PolarHBondContact O-N 3.21Å; H568-Q570 PolarHBondContact O-N 2.85Å
569	E	86.5	Confident	87.2	Confident	47 Å²	47	40 Å²	40	22%	0.22	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	3.3	173.5	-149.6	-168.4	-175.4	0	0	113.3	I534 L538 L565 Y566 R571	I534-E569 HydrophobicContact CG2-CB 4.42Å; L538-E569 VanDerWaalsContact CD1-OE2 3.23Å; L538-E569 WeakPolarHBondContact CD1-OE2 3.3Å; L565-E569 PolarHBondContact O-N 2.85Å; Y566-E569 CarbonylContact O-C 3.59Å; Y566-E569 PolarHBondContact O-N 3.04Å; E569-R571 HydrophobicContact CB-CG 4.41Å; E569-R571 PolarHBondContact O-N 2.92Å; E569-R571 IonicContact OE1-CZ 3.63Å; E569-R571 IonicContact OE1-NE 2.7Å; E569-R571 IonicContact OE1-NH1 3.64Å; E569-R571 IonicContact OE1-NH2 3.36Å; E569-R571 PolarHBondContact OE1-NH2 2.82Å; E569-R571 VanDerWaalsContact OE2-CD 3.27Å; E569-R571 WeakPolarHBondContact OE2-CD 3.18Å; E569-R571 IonicContact OE2-CZ 3.52Å; E569-R571 IonicContact OE2-NE 3.06Å; E569-R571 PolarHBondContact OE2-NE 3.5Å; E569-R571 VanDerWaalsContact OE2-NE 3.13Å; E569-R571 IonicContact OE2-NH1 3.7Å; E569-R571 PolarHBondContact OE2-NH1 2.71Å; E569-R571 IonicContact OE2-NH2 2.8Å; E569-R571 PolarHBondContact OE2-NH2 3.05Å
570	Q	84.2	Confident	87.1	Confident	147 Å²	147	39.1 Å²	39.1	69%	0.687	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	20.4	-175.5	-53.6	-177.4	-7.7	0	0	114.5	Y566 T567 H568 F572	Y566-Q570 PolarHBondContact O-N 3.45Å; T567-Q570 PolarHBondContact O-N 3.19Å; H568-Q570 PolarHBondContact O-N 2.85Å; Q570-F572 HydrophobicContact CB-CE2 3.92Å; Q570-F572 HydrophobicContact CB-CZ 3.85Å; Q570-F572 HydrophobicContact CG-CZ 4.16Å; Q570-F572 VanDerWaalsContact O-CD2 3.28Å; Q570-F572 WeakPolarHBondContact O-CD2 3.25Å; Q570-F572 WeakPolarHBondContact O-CE2 3.26Å; Q570-F572 PolarHBondContact O-N 3.37Å; Q570-F572 VanDerWaalsContact O-N 3.16Å
571	R	87.9	Confident	87	Confident	122 Å²	122	46.4 Å²	46.4	46%	0.46	22%	0.215	S	C	.	.			trans	-88.2	77.6	173.9	-67.1	-168.7	-175.4	159	12.8	110	Y566 E569 A575	Y566-R571 HydrophobicContact CD1-CB 3.96Å; Y566-R571 PolarHBondContact O-N 3.46Å; E569-R571 HydrophobicContact CB-CG 4.41Å; E569-R571 PolarHBondContact O-N 2.92Å; E569-R571 IonicContact OE1-CZ 3.63Å; E569-R571 IonicContact OE1-NE 2.7Å; E569-R571 IonicContact OE1-NH1 3.64Å; E569-R571 IonicContact OE1-NH2 3.36Å; E569-R571 PolarHBondContact OE1-NH2 2.82Å; E569-R571 VanDerWaalsContact OE2-CD 3.27Å; E569-R571 WeakPolarHBondContact OE2-CD 3.18Å; E569-R571 IonicContact OE2-CZ 3.52Å; E569-R571 IonicContact OE2-NE 3.06Å; E569-R571 PolarHBondContact OE2-NE 3.5Å; E569-R571 VanDerWaalsContact OE2-NE 3.13Å; E569-R571 IonicContact OE2-NH1 3.7Å; E569-R571 PolarHBondContact OE2-NH1 2.71Å; E569-R571 IonicContact OE2-NH2 2.8Å; E569-R571 PolarHBondContact OE2-NH2 3.05Å; R571-A575 PolarHBondContact O-N 3.24Å
572	F	86.6	Confident	86.9	Confident	45 Å²	45	46.9 Å²	46.9	20%	0.197	22%	0.218	C	C	.	.	H	α-helix	trans	-72.7	-34.3	-168.7	-59.1	-59.3	0	0	0	114.8	Q570 A575 V576 L590 L596 L599	Q570-F572 HydrophobicContact CB-CE2 3.92Å; Q570-F572 HydrophobicContact CB-CZ 3.85Å; Q570-F572 HydrophobicContact CG-CZ 4.16Å; Q570-F572 VanDerWaalsContact O-CD2 3.28Å; Q570-F572 WeakPolarHBondContact O-CD2 3.25Å; Q570-F572 WeakPolarHBondContact O-CE2 3.26Å; Q570-F572 PolarHBondContact O-N 3.37Å; Q570-F572 VanDerWaalsContact O-N 3.16Å; F572-A575 PolarHBondContact O-N 2.93Å; F572-V576 WeakPolarHBondContact O-CB 3.47Å; F572-V576 VanDerWaalsContact O-CG2 3.28Å; F572-V576 WeakPolarHBondContact O-CG2 3.25Å; F572-V576 PolarHBondContact O-N 3.38Å; F572-L590 HydrophobicContact CD1-CD1 4.01Å; F572-L590 HydrophobicContact CE1-CD1 3.98Å; F572-L596 HydrophobicContact CB-CD1 3.63Å; F572-L596 HydrophobicContact CB-CD2 3.84Å; F572-L596 HydrophobicContact CB-CG 4.37Å; F572-L596 HydrophobicContact CD1-CD1 3.6Å; F572-L596 HydrophobicContact CD2-CD1 4.24Å; F572-L596 HydrophobicContact CD2-CD2 3.65Å; F572-L596 HydrophobicContact CE1-CD1 4.32Å; F572-L596 HydrophobicContact CE2-CD2 4.35Å; F572-L596 HydrophobicContact CG-CD1 3.55Å; F572-L596 HydrophobicContact CG-CD2 3.76Å; F572-L596 HydrophobicContact CG-CG 4.27Å; F572-L599 HydrophobicContact CB-CD1 4.35Å
573	E	86.2	Confident	86.7	Confident	134 Å²	134	50.2 Å²	50.2	63%	0.626	24%	0.236	S	C	*	.	H	α-helix	trans	-59.7	-54.4	-179.1	-75.3	-179.5	-174	0	0	112.6	A575 V576 D577 L599	E573-A575 VanDerWaalsContact C-N 3.3Å; E573-A575 PolarHBondContact O-N 3.22Å; E573-V576 PolarHBondContact O-N 2.97Å; E573-D577 PolarHBondContact O-N 2.92Å; E573-L599 HydrophobicContact CG-CD1 4.04Å; E573-L599 HydrophobicContact CG-CD2 3.97Å
574	P	87.2	Confident	86.7	Confident	50 Å²	50	52 Å²	52	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-35.7	174	-23	33.1	0	0	0	113.6	Y566 D577 I578	Y566-P574 HydrophobicContact CD2-CB 3.91Å; Y566-P574 HydrophobicContact CE2-CB 3.88Å; Y566-P574 HydrophobicContact CG-CB 4.3Å; P574-D577 PolarHBondContact O-N 3.32Å; P574-I578 WeakPolarHBondContact O-CD1 3.13Å; P574-I578 VanDerWaalsContact O-CG1 3.26Å; P574-I578 WeakPolarHBondContact O-CG1 3.47Å; P574-I578 PolarHBondContact O-N 3.44Å; P574-I578 VanDerWaalsContact O-N 3.1Å
575	A	87.9	Confident	86.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-47.4	179.7	0	0	0	0	0	111.4	R571 F572 E573 D577 I578 Y579 L590	R571-A575 PolarHBondContact O-N 3.24Å; F572-A575 PolarHBondContact O-N 2.93Å; E573-A575 VanDerWaalsContact C-N 3.3Å; E573-A575 PolarHBondContact O-N 3.22Å; A575-D577 PolarHBondContact O-N 2.98Å; A575-I578 PolarHBondContact O-N 3.46Å; A575-Y579 HydrophobicContact CB-CD2 4.46Å; A575-Y579 HydrophobicContact CB-CE2 4.3Å; A575-Y579 WeakPolarHBondContact O-CD2 3.49Å; A575-Y579 PolarHBondContact O-N 3.03Å; A575-L590 HydrophobicContact CB-CD2 4.35Å
576	V	86.8	Confident	86.5	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-45.8	177.7	166.7	0	0	0	0	110.8	F572 E573 I578 Y579 L580 I587 V600	F572-V576 WeakPolarHBondContact O-CB 3.47Å; F572-V576 VanDerWaalsContact O-CG2 3.28Å; F572-V576 WeakPolarHBondContact O-CG2 3.25Å; F572-V576 PolarHBondContact O-N 3.38Å; E573-V576 PolarHBondContact O-N 2.97Å; V576-I578 VanDerWaalsContact C-N 3.31Å; V576-I578 PolarHBondContact O-N 3.29Å; V576-Y579 PolarHBondContact O-N 3.28Å; V576-L580 HydrophobicContact CG1-CD1 3.93Å; V576-L580 HydrophobicContact CG1-CG 4.42Å; V576-L580 WeakPolarHBondContact O-CB 3.44Å; V576-L580 WeakPolarHBondContact O-CG 3.47Å; V576-L580 PolarHBondContact O-N 3.34Å; V576-I587 HydrophobicContact CG1-CD1 4.3Å; V576-V600 HydrophobicContact CG1-CG1 3.83Å
577	D	87.3	Confident	86.5	Confident	64 Å²	64	56.7 Å²	56.7	34%	0.342	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-38.8	178	-82	-24.8	0	0	0	112.6	E573 P574 A575 K581	E573-D577 PolarHBondContact O-N 2.92Å; P574-D577 PolarHBondContact O-N 3.32Å; A575-D577 PolarHBondContact O-N 2.98Å; D577-K581 VanDerWaalsContact O-CG 3.26Å; D577-K581 WeakPolarHBondContact O-CG 3.04Å; D577-K581 PolarHBondContact O-N 2.98Å; D577-K581 VanDerWaalsContact O-N 3.15Å
578	I	86.9	Confident	86.5	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.082	27%	0.272	C	S	.	.	H	α-helix	trans	-71.3	-44.9	177.4	-62.9	164.6	0	0	0	110.7	L559 L562 A563 Y566 P574 A575 V576 L580 K581 L582	L559-I578 HydrophobicContact CB-CG2 4.04Å; L559-I578 HydrophobicContact CD2-CG2 4.39Å; L559-I578 WeakPolarHBondContact O-CG2 3.48Å; L562-I578 HydrophobicContact CD2-CD1 3.81Å; L562-I578 HydrophobicContact CG-CD1 3.97Å; A563-I578 HydrophobicContact CB-CB 3.98Å; A563-I578 HydrophobicContact CB-CG2 3.76Å; Y566-I578 HydrophobicContact CD2-CD1 3.87Å; Y566-I578 HydrophobicContact CE2-CD1 3.87Å; P574-I578 WeakPolarHBondContact O-CD1 3.13Å; P574-I578 VanDerWaalsContact O-CG1 3.26Å; P574-I578 WeakPolarHBondContact O-CG1 3.47Å; P574-I578 PolarHBondContact O-N 3.44Å; P574-I578 VanDerWaalsContact O-N 3.1Å; A575-I578 PolarHBondContact O-N 3.46Å; V576-I578 VanDerWaalsContact C-N 3.31Å; V576-I578 PolarHBondContact O-N 3.29Å; I578-L580 VanDerWaalsContact C-N 3.32Å; I578-L580 PolarHBondContact O-N 3.42Å; I578-K581 WeakPolarHBondContact O-CB 3.37Å; I578-K581 PolarHBondContact O-N 2.96Å; I578-K581 VanDerWaalsContact O-N 3.16Å; I578-L582 HydrophobicContact CG2-CD1 3.98Å; I578-L582 HydrophobicContact CG2-CG 4.21Å; I578-L582 WeakPolarHBondContact O-CG 3.41Å; I578-L582 PolarHBondContact O-N 3.08Å
579	Y	88.3	Confident	86.5	Confident	6 Å²	6	57.3 Å²	57.3	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-40	178.3	-75.5	-56.1	0	0	0	112.7	A563 Q564 T567 A575 V576 L582 N583 D584 I587 L590	A563-Y579 HydrophobicContact CB-CD1 4.03Å; A563-Y579 HydrophobicContact CB-CD2 4.22Å; A563-Y579 HydrophobicContact CB-CE1 3.74Å; A563-Y579 HydrophobicContact CB-CE2 3.9Å; A563-Y579 HydrophobicContact CB-CG 4.27Å; Q564-Y579 PolarHBondContact OE1-OH 3.49Å; T567-Y579 WeakPolarHBondContact OG1-CE2 3.38Å; T567-Y579 PolarHBondContact OG1-OH 2.77Å; A575-Y579 HydrophobicContact CB-CD2 4.46Å; A575-Y579 HydrophobicContact CB-CE2 4.3Å; A575-Y579 WeakPolarHBondContact O-CD2 3.49Å; A575-Y579 PolarHBondContact O-N 3.03Å; V576-Y579 PolarHBondContact O-N 3.28Å; Y579-L582 PolarHBondContact O-N 3.38Å; Y579-N583 PolarHBondContact O-N 3.14Å; Y579-D584 HydrophobicContact CD1-CB 3.76Å; Y579-D584 PolarHBondContact O-N 3.12Å; Y579-D584 VanDerWaalsContact O-N 3.08Å; Y579-I587 HydrophobicContact CG-CB 4.45Å; Y579-L590 HydrophobicContact CD2-CD2 3.91Å; Y579-L590 HydrophobicContact CE2-CD2 3.65Å
580	L	85.8	Confident	86.4	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-43.5	174	-71.4	173.2	0	0	0	111.5	V576 I578 L582 N583 I587 Q606 L607	V576-L580 HydrophobicContact CG1-CD1 3.93Å; V576-L580 HydrophobicContact CG1-CG 4.42Å; V576-L580 WeakPolarHBondContact O-CB 3.44Å; V576-L580 WeakPolarHBondContact O-CG 3.47Å; V576-L580 PolarHBondContact O-N 3.34Å; I578-L580 VanDerWaalsContact C-N 3.32Å; I578-L580 PolarHBondContact O-N 3.42Å; L580-L582 VanDerWaalsContact C-N 3.29Å; L580-L582 PolarHBondContact O-N 3.01Å; L580-N583 PolarHBondContact O-N 3.27Å; L580-I587 HydrophobicContact CD1-CD1 4.38Å; L580-I587 HydrophobicContact CD2-CD1 3.37Å; L580-I587 HydrophobicContact CG-CD1 3.47Å; L580-I587 VanDerWaalsContact CG-CD1 3.47Å; L580-Q606 HydrophobicContact CD2-CB 3.97Å; L580-L607 HydrophobicContact CD2-CD2 4.22Å
581	K	85.4	Confident	86.4	Confident	169 Å²	169	48.6 Å²	48.6	74%	0.735	25%	0.246	S	C	*	.	H	α-helix	trans	-62.7	-35	175.6	-75.5	171.8	-176.2	174.5	0	112.8	D577 I578 N583	D577-K581 VanDerWaalsContact O-CG 3.26Å; D577-K581 WeakPolarHBondContact O-CG 3.04Å; D577-K581 PolarHBondContact O-N 2.98Å; D577-K581 VanDerWaalsContact O-N 3.15Å; I578-K581 WeakPolarHBondContact O-CB 3.37Å; I578-K581 PolarHBondContact O-N 2.96Å; I578-K581 VanDerWaalsContact O-N 3.16Å; K581-N583 VanDerWaalsContact C-N 3.31Å
582	L	85.5	Confident	86.2	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-81.7	-10	179.4	-67.6	-174.4	0	0	0	113.7	R556 L559 I578 Y579 L580 D584	R556-L582 HydrophobicContact CG-CD2 3.85Å; R556-L582 PolarHBondContact NH1-O 2.94Å; R556-L582 VanDerWaalsContact NH1-O 3.1Å; R556-L582 PolarHBondContact NH2-O 3.09Å; L559-L582 HydrophobicContact CB-CD1 4.05Å; L559-L582 HydrophobicContact CB-CD2 4.23Å; L559-L582 HydrophobicContact CB-CG 4.49Å; L559-L582 HydrophobicContact CD1-CD2 4.27Å; I578-L582 HydrophobicContact CG2-CD1 3.98Å; I578-L582 HydrophobicContact CG2-CG 4.21Å; I578-L582 WeakPolarHBondContact O-CG 3.41Å; I578-L582 PolarHBondContact O-N 3.08Å; Y579-L582 PolarHBondContact O-N 3.38Å; L580-L582 VanDerWaalsContact C-N 3.29Å; L580-L582 PolarHBondContact O-N 3.01Å; L582-D584 VanDerWaalsContact C-N 3.26Å; L582-D584 HydrophobicContact CB-CB 4.31Å; L582-D584 PolarHBondContact O-N 2.93Å
583	N	86.1	Confident	86.1	Confident	82 Å²	82	55 Å²	55	44%	0.439	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	42.5	-170.4	-151.1	47.1	0	0	0	112	Y579 L580 K581 A609 V610	Y579-N583 PolarHBondContact O-N 3.14Å; L580-N583 PolarHBondContact O-N 3.27Å; K581-N583 VanDerWaalsContact C-N 3.31Å; N583-A609 PolarHBondContact ND2-O 2.75Å; N583-A609 PolarHBondContact OD1-O 3.18Å; N583-V610 WeakPolarHBondContact OD1-CA 3.22Å; N583-V610 WeakPolarHBondContact OD1-CG2 3.19Å; N583-V610 PolarHBondContact OD1-N 3.27Å
584	D	86.2	Confident	85.9	Confident	37 Å²	37	50.3 Å²	50.3	20%	0.198	26%	0.255	C	S	.	.			trans	-90	127.2	-173.8	-164.9	-35.7	0	0	0	111.4	Y579 L582 S586 I587	Y579-D584 HydrophobicContact CD1-CB 3.76Å; Y579-D584 PolarHBondContact O-N 3.12Å; Y579-D584 VanDerWaalsContact O-N 3.08Å; L582-D584 VanDerWaalsContact C-N 3.26Å; L582-D584 HydrophobicContact CB-CB 4.31Å; L582-D584 PolarHBondContact O-N 2.93Å; D584-S586 PolarHBondContact O-N 3.21Å; D584-S586 VanDerWaalsContact OD1-CB 3.23Å; D584-S586 WeakPolarHBondContact OD1-CB 3.32Å; D584-S586 PolarHBondContact OD1-N 2.93Å; D584-S586 PolarHBondContact OD1-OG 2.81Å; D584-I587 VanDerWaalsContact O-CG2 3.23Å; D584-I587 WeakPolarHBondContact O-CG2 3.5Å; D584-I587 PolarHBondContact O-N 3.25Å
585	K	88.1	Confident	85.7	Confident	119 Å²	119	56.5 Å²	56.5	52%	0.517	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.6	179.7	-59.4	-169.5	179.8	-152.9	0	113.3	I587 F588 V610 D611 L614	K585-I587 PolarHBondContact O-N 3.49Å; K585-I587 VanDerWaalsContact O-N 3.1Å; K585-F588 WeakPolarHBondContact O-CD2 3.29Å; K585-F588 PolarHBondContact O-N 3.15Å; K585-V610 HydrophobicContact CG-CG1 4.22Å; K585-D611 WeakPolarHBondContact CE-OD2 3.47Å; K585-D611 IonicContact NZ-OD2 2.72Å; K585-D611 PolarHBondContact NZ-OD2 2.79Å; K585-L614 HydrophobicContact CB-CD1 4.41Å
586	S	83.8	Confident	85.5	Confident	61 Å²	61	57 Å²	57	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-19.4	178.9	-49.2	0	0	0	0	112.5	D584 F588 A589 L590	D584-S586 PolarHBondContact O-N 3.21Å; D584-S586 VanDerWaalsContact OD1-CB 3.23Å; D584-S586 WeakPolarHBondContact OD1-CB 3.32Å; D584-S586 PolarHBondContact OD1-N 2.93Å; D584-S586 PolarHBondContact OD1-OG 2.81Å; S586-F588 VanDerWaalsContact C-N 3.27Å; S586-F588 PolarHBondContact O-N 3.09Å; S586-A589 PolarHBondContact O-N 3.38Å; S586-L590 PolarHBondContact O-N 2.98Å; S586-L590 VanDerWaalsContact O-N 3.13Å
587	I	87.3	Confident	85.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-38.4	176.4	-160.8	178	0	0	0	113	V576 Y579 L580 D584 K585 L590 I591 L607 V610	V576-I587 HydrophobicContact CG1-CD1 4.3Å; Y579-I587 HydrophobicContact CG-CB 4.45Å; L580-I587 HydrophobicContact CD1-CD1 4.38Å; L580-I587 HydrophobicContact CD2-CD1 3.37Å; L580-I587 HydrophobicContact CG-CD1 3.47Å; L580-I587 VanDerWaalsContact CG-CD1 3.47Å; D584-I587 VanDerWaalsContact O-CG2 3.23Å; D584-I587 WeakPolarHBondContact O-CG2 3.5Å; D584-I587 PolarHBondContact O-N 3.25Å; K585-I587 PolarHBondContact O-N 3.49Å; K585-I587 VanDerWaalsContact O-N 3.1Å; I587-L590 WeakPolarHBondContact O-CB 3.44Å; I587-L590 PolarHBondContact O-N 2.85Å; I587-I591 HydrophobicContact CD1-CD1 4.37Å; I587-I591 HydrophobicContact CG1-CD1 3.86Å; I587-I591 HydrophobicContact CG1-CG1 4.33Å; I587-I591 WeakPolarHBondContact O-CD1 3.35Å; I587-I591 WeakPolarHBondContact O-CG1 3.43Å; I587-I591 PolarHBondContact O-N 2.89Å; I587-L607 HydrophobicContact CD1-CD2 4.26Å; I587-L607 HydrophobicContact CG2-CD2 4.42Å; I587-V610 HydrophobicContact CG2-CG1 4.45Å
588	F	87.1	Confident	85	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-45.5	-177.3	-66.5	-77.4	0	0	0	111.3	K585 S586 L590 I591 E592 L607 V610 D611 L614 A615 L618	K585-F588 WeakPolarHBondContact O-CD2 3.29Å; K585-F588 PolarHBondContact O-N 3.15Å; S586-F588 VanDerWaalsContact C-N 3.27Å; S586-F588 PolarHBondContact O-N 3.09Å; F588-L590 VanDerWaalsContact C-N 3.28Å; F588-L590 PolarHBondContact O-N 3.29Å; F588-I591 PolarHBondContact O-N 2.83Å; F588-E592 WeakPolarHBondContact O-CB 3.49Å; F588-E592 PolarHBondContact O-N 3.36Å; F588-L607 HydrophobicContact CE1-CB 4.07Å; F588-L607 HydrophobicContact CE1-CD2 3.99Å; F588-L607 HydrophobicContact CE1-CG 4.47Å; F588-L607 HydrophobicContact CZ-CB 4.22Å; F588-L607 HydrophobicContact CZ-CD2 4.34Å; F588-L607 WeakPolarHBondContact CZ-O 3.48Å; F588-V610 HydrophobicContact CE2-CB 3.94Å; F588-V610 HydrophobicContact CE2-CG1 3.68Å; F588-V610 HydrophobicContact CZ-CB 4.23Å; F588-V610 HydrophobicContact CZ-CG1 4.45Å; F588-D611 HydrophobicContact CE2-CB 3.81Å; F588-D611 HydrophobicContact CZ-CB 4.28Å; F588-L614 HydrophobicContact CB-CB 4.34Å; F588-L614 HydrophobicContact CB-CD2 4.37Å; F588-L614 HydrophobicContact CD1-CB 3.87Å; F588-L614 HydrophobicContact CD2-CB 3.62Å; F588-L614 HydrophobicContact CD2-CD1 3.72Å; F588-L614 HydrophobicContact CD2-CG 4.21Å; F588-L614 HydrophobicContact CE1-CB 4Å; F588-L614 HydrophobicContact CE2-CB 3.74Å; F588-L614 HydrophobicContact CE2-CD1 4.16Å; F588-L614 HydrophobicContact CG-CB 3.68Å; F588-L614 HydrophobicContact CG-CD1 4.33Å; F588-L614 HydrophobicContact CG-CG 4.42Å; F588-L614 HydrophobicContact CZ-CB 3.91Å; F588-A615 HydrophobicContact CE1-CB 3.92Å; F588-A615 HydrophobicContact CZ-CB 4.15Å; F588-L618 HydrophobicContact CD1-CB 4.39Å; F588-L618 HydrophobicContact CD1-CD2 4.02Å; F588-L618 HydrophobicContact CE1-CD2 4.43Å
589	A	85.6	Confident	84.8	Confident	62 Å²	62	60.5 Å²	60.5	51%	0.512	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-36.1	175.9	0	0	0	0	0	111.9	S586 R593	S586-A589 PolarHBondContact O-N 3.38Å; A589-R593 WeakPolarHBondContact O-CB 3.42Å; A589-R593 PolarHBondContact O-N 3.47Å
590	L	84.9	Confident	84.6	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-46.9	174.4	177.4	58.2	0	0	0	111.8	T567 F572 A575 Y579 S586 I587 F588 E592 S594 L596	T567-L590 HydrophobicContact CG2-CD1 3.49Å; T567-L590 VanDerWaalsContact CG2-CD1 3.49Å; T567-L590 HydrophobicContact CG2-CD2 4.32Å; T567-L590 HydrophobicContact CG2-CG 4.5Å; F572-L590 HydrophobicContact CD1-CD1 4.01Å; F572-L590 HydrophobicContact CE1-CD1 3.98Å; A575-L590 HydrophobicContact CB-CD2 4.35Å; Y579-L590 HydrophobicContact CD2-CD2 3.91Å; Y579-L590 HydrophobicContact CE2-CD2 3.65Å; S586-L590 PolarHBondContact O-N 2.98Å; S586-L590 VanDerWaalsContact O-N 3.13Å; I587-L590 WeakPolarHBondContact O-CB 3.44Å; I587-L590 PolarHBondContact O-N 2.85Å; F588-L590 VanDerWaalsContact C-N 3.28Å; F588-L590 PolarHBondContact O-N 3.29Å; L590-E592 VanDerWaalsContact C-N 3.32Å; L590-E592 PolarHBondContact O-N 3.23Å; L590-S594 WeakPolarHBondContact O-CB 3.42Å; L590-S594 PolarHBondContact O-N 3.31Å; L590-L596 HydrophobicContact CD1-CD1 4.24Å; L590-L596 HydrophobicContact CG-CD1 4Å
591	I	84.4	Confident	84.2	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-44.9	-180	-65.4	154.9	0	0	0	110.6	I587 F588 K595 L596 F597 V600 L607 L618	I587-I591 HydrophobicContact CD1-CD1 4.37Å; I587-I591 HydrophobicContact CG1-CD1 3.86Å; I587-I591 HydrophobicContact CG1-CG1 4.33Å; I587-I591 WeakPolarHBondContact O-CD1 3.35Å; I587-I591 WeakPolarHBondContact O-CG1 3.43Å; I587-I591 PolarHBondContact O-N 2.89Å; F588-I591 PolarHBondContact O-N 2.83Å; I591-K595 CarbonylContact O-C 3.54Å; I591-K595 VanDerWaalsContact O-CA 3.25Å; I591-K595 WeakPolarHBondContact O-CA 3.46Å; I591-K595 PolarHBondContact O-N 3.41Å; I591-L596 HydrophobicContact CG2-CB 4.48Å; I591-L596 PolarHBondContact O-N 2.93Å; I591-F597 HydrophobicContact CG2-CB 4.21Å; I591-F597 HydrophobicContact CG2-CD2 4.42Å; I591-V600 HydrophobicContact CD1-CB 4.4Å; I591-V600 HydrophobicContact CD1-CG1 3.96Å; I591-V600 HydrophobicContact CD1-CG2 3.86Å; I591-V600 HydrophobicContact CG1-CG1 4.33Å; I591-V600 HydrophobicContact CG1-CG2 4.25Å; I591-V600 HydrophobicContact CG2-CG2 4.12Å; I591-L607 HydrophobicContact CD1-CD2 3.96Å; I591-L618 HydrophobicContact CB-CD1 4.38Å; I591-L618 HydrophobicContact CB-CD2 4.42Å; I591-L618 HydrophobicContact CD1-CD2 3.96Å; I591-L618 HydrophobicContact CG2-CD1 3.86Å; I591-L618 HydrophobicContact CG2-CD2 3.99Å; I591-L618 HydrophobicContact CG2-CG 4.5Å
592	E	83.2	Confident	84	Confident	115 Å²	115	61.7 Å²	61.7	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-53.5	-179.7	-168.8	-172.5	166.8	0	0	111.3	F588 L590 S594 K595	F588-E592 WeakPolarHBondContact O-CB 3.49Å; F588-E592 PolarHBondContact O-N 3.36Å; L590-E592 VanDerWaalsContact C-N 3.32Å; L590-E592 PolarHBondContact O-N 3.23Å; E592-S594 VanDerWaalsContact C-N 3.29Å; E592-S594 PolarHBondContact O-N 2.99Å; E592-K595 PolarHBondContact O-N 3.35Å
593	R	84.3	Confident	83.9	Confident	187 Å²	187	65.9 Å²	65.9	71%	0.706	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-37.1	-176.7	-166.7	179	88.4	171.6	5.9	112.7	A589	A589-R593 WeakPolarHBondContact O-CB 3.42Å; A589-R593 PolarHBondContact O-N 3.47Å
594	S	82.8	Confident	83.5	Confident	35 Å²	35	62.7 Å²	62.7	25%	0.245	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	6.4	-175.8	-66.4	0	0	0	0	113.7	L590 E592 L596	L590-S594 WeakPolarHBondContact O-CB 3.42Å; L590-S594 PolarHBondContact O-N 3.31Å; E592-S594 VanDerWaalsContact C-N 3.29Å; E592-S594 PolarHBondContact O-N 2.99Å; S594-L596 VanDerWaalsContact C-N 3.31Å; S594-L596 PolarHBondContact O-N 3.02Å
595	K	82.6	Confident	83.4	Confident	181 Å²	181	66.9 Å²	66.9	79%	0.787	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.5	-179.3	-57.5	-173.2	178.7	-173.5	0	113.9	I591 E592 F597	I591-K595 CarbonylContact O-C 3.54Å; I591-K595 VanDerWaalsContact O-CA 3.25Å; I591-K595 WeakPolarHBondContact O-CA 3.46Å; I591-K595 PolarHBondContact O-N 3.41Å; E592-K595 PolarHBondContact O-N 3.35Å; K595-F597 VanDerWaalsContact C-N 3.29Å; K595-F597 PolarHBondContact O-N 2.99Å
596	L	83.2	Confident	83.2	Confident	9 Å²	9	64.2 Å²	64.2	5%	0.047	31%	0.31	C	S	.	.			trans	-92	18.8	-172.6	-56.5	166.2	0	0	0	113.5	F572 L590 I591 S594 H598 L599	F572-L596 HydrophobicContact CB-CD1 3.63Å; F572-L596 HydrophobicContact CB-CD2 3.84Å; F572-L596 HydrophobicContact CB-CG 4.37Å; F572-L596 HydrophobicContact CD1-CD1 3.6Å; F572-L596 HydrophobicContact CD2-CD1 4.24Å; F572-L596 HydrophobicContact CD2-CD2 3.65Å; F572-L596 HydrophobicContact CE1-CD1 4.32Å; F572-L596 HydrophobicContact CE2-CD2 4.35Å; F572-L596 HydrophobicContact CG-CD1 3.55Å; F572-L596 HydrophobicContact CG-CD2 3.76Å; F572-L596 HydrophobicContact CG-CG 4.27Å; L590-L596 HydrophobicContact CD1-CD1 4.24Å; L590-L596 HydrophobicContact CG-CD1 4Å; I591-L596 HydrophobicContact CG2-CB 4.48Å; I591-L596 PolarHBondContact O-N 2.93Å; S594-L596 VanDerWaalsContact C-N 3.31Å; S594-L596 PolarHBondContact O-N 3.02Å; L596-H598 PolarHBondContact O-N 3.09Å; L596-H598 VanDerWaalsContact O-N 3.11Å; L596-L599 HydrophobicContact CB-CD1 4.3Å; L596-L599 HydrophobicContact CD2-CD1 4.21Å; L596-L599 WeakPolarHBondContact O-CB 3.29Å; L596-L599 PolarHBondContact O-N 2.97Å
597	F	81.2	Confident	83.2	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-32.2	-174	-171.7	-103.2	0	0	0	112.5	I591 K595 L599 V600 K601 L618 L619 N622 L626	I591-F597 HydrophobicContact CG2-CB 4.21Å; I591-F597 HydrophobicContact CG2-CD2 4.42Å; K595-F597 VanDerWaalsContact C-N 3.29Å; K595-F597 PolarHBondContact O-N 2.99Å; F597-L599 PolarHBondContact O-N 2.75Å; F597-V600 HydrophobicContact CD2-CG2 4.13Å; F597-V600 VanDerWaalsContact O-CG2 3.32Å; F597-V600 WeakPolarHBondContact O-CG2 3.29Å; F597-V600 PolarHBondContact O-N 2.93Å; F597-K601 HydrophobicContact CD1-CB 4.46Å; F597-K601 HydrophobicContact CE1-CB 4.15Å; F597-K601 PolarHBondContact O-N 2.99Å; F597-L618 HydrophobicContact CD2-CD1 4.33Å; F597-L618 HydrophobicContact CD2-CD2 3.96Å; F597-L618 HydrophobicContact CD2-CG 3.88Å; F597-L618 HydrophobicContact CE2-CD2 4.06Å; F597-L618 HydrophobicContact CE2-CG 3.97Å; F597-L619 HydrophobicContact CE2-CD2 4.3Å; F597-L619 HydrophobicContact CZ-CD2 3.96Å; F597-N622 HydrophobicContact CB-CB 4.47Å; F597-N622 WeakPolarHBondContact CB-OD1 3.35Å; F597-N622 HydrophobicContact CD1-CB 3.66Å; F597-N622 HydrophobicContact CD2-CB 3.92Å; F597-N622 HydrophobicContact CE1-CB 3.78Å; F597-N622 HydrophobicContact CE2-CB 4.04Å; F597-N622 HydrophobicContact CG-CB 3.73Å; F597-N622 VanDerWaalsContact CG-CG 3.48Å; F597-N622 HydrophobicContact CZ-CB 3.97Å; F597-L626 HydrophobicContact CE1-CD1 3.83Å; F597-L626 HydrophobicContact CE1-CG 4.01Å; F597-L626 HydrophobicContact CZ-CD1 3.65Å; F597-L626 HydrophobicContact CZ-CG 4.31Å
598	H	82.6	Confident	82.9	Confident	112 Å²	112	63.1 Å²	63.1	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-58.1	-28.7	176	71.1	-82.6	0	0	0	114.4	L596 K601	L596-H598 PolarHBondContact O-N 3.09Å; L596-H598 VanDerWaalsContact O-N 3.11Å; H598-K601 WeakPolarHBondContact O-CG 3.48Å
599	L	82.9	Confident	82.8	Confident	44 Å²	44	66 Å²	66	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-77.1	-23.1	177.8	-63.4	179.7	0	0	0	112.7	F572 E573 L596 F597	F572-L599 HydrophobicContact CB-CD1 4.35Å; E573-L599 HydrophobicContact CG-CD1 4.04Å; E573-L599 HydrophobicContact CG-CD2 3.97Å; L596-L599 HydrophobicContact CB-CD1 4.3Å; L596-L599 HydrophobicContact CD2-CD1 4.21Å; L596-L599 WeakPolarHBondContact O-CB 3.29Å; L596-L599 PolarHBondContact O-N 2.97Å; F597-L599 PolarHBondContact O-N 2.75Å
600	V	83.8	Confident	82.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-115	-7.3	-172.5	-63.4	0	0	0	0	114.1	V576 I591 F597 D602 R603 L607	V576-V600 HydrophobicContact CG1-CG1 3.83Å; I591-V600 HydrophobicContact CD1-CB 4.4Å; I591-V600 HydrophobicContact CD1-CG1 3.96Å; I591-V600 HydrophobicContact CD1-CG2 3.86Å; I591-V600 HydrophobicContact CG1-CG1 4.33Å; I591-V600 HydrophobicContact CG1-CG2 4.25Å; I591-V600 HydrophobicContact CG2-CG2 4.12Å; F597-V600 HydrophobicContact CD2-CG2 4.13Å; F597-V600 VanDerWaalsContact O-CG2 3.32Å; F597-V600 WeakPolarHBondContact O-CG2 3.29Å; F597-V600 PolarHBondContact O-N 2.93Å; V600-D602 PolarHBondContact O-N 3.26Å; V600-D602 VanDerWaalsContact O-N 3.09Å; V600-R603 CarbonylContact O-C 3.52Å; V600-R603 WeakPolarHBondContact O-CA 3.34Å; V600-R603 PolarHBondContact O-N 3.45Å; V600-L607 HydrophobicContact CB-CD1 3.98Å; V600-L607 HydrophobicContact CB-CG 4.49Å; V600-L607 HydrophobicContact CG2-CD1 3.99Å
601	K	77.7	Confident	82.8	Confident	91 Å²	91	64.7 Å²	64.7	40%	0.396	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.6	179.5	70.4	-178.5	-178.4	174.3	0	113.8	F597 H598 I604	F597-K601 HydrophobicContact CD1-CB 4.46Å; F597-K601 HydrophobicContact CE1-CB 4.15Å; F597-K601 PolarHBondContact O-N 2.99Å; H598-K601 WeakPolarHBondContact O-CG 3.48Å; K601-I604 WeakPolarHBondContact O-CD1 3.22Å; K601-I604 WeakPolarHBondContact O-CG1 3.26Å
602	D	80.4	Confident	82.6	Confident	128 Å²	128	66.2 Å²	66.2	68%	0.684	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.7	-179.6	-59.1	-45.5	0	0	0	112.5	V600	V600-D602 PolarHBondContact O-N 3.26Å; V600-D602 VanDerWaalsContact O-N 3.09Å
603	R	83.3	Confident	82.7	Confident	98 Å²	98	64.8 Å²	64.8	37%	0.37	32%	0.318	S	S	.	.			trans	-115	28	-176.5	-56.9	-169.4	-169.2	-129.8	8.7	113	V600 H605 Q606 L607	V600-R603 CarbonylContact O-C 3.52Å; V600-R603 WeakPolarHBondContact O-CA 3.34Å; V600-R603 PolarHBondContact O-N 3.45Å; R603-H605 PolarHBondContact O-N 3.35Å; R603-H605 VanDerWaalsContact O-N 3.17Å; R603-Q606 HydrophobicContact CB-CG 4.44Å; R603-Q606 WeakPolarHBondContact O-CB 3.44Å; R603-Q606 PolarHBondContact O-N 3.14Å; R603-L607 PolarHBondContact O-N 3.17Å
604	I	79.2	Confident	82.7	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.072	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-35.5	-179	-66.7	163.7	0	0	0	112.3	K601 Q606 L607 I608 L619 L626	K601-I604 WeakPolarHBondContact O-CD1 3.22Å; K601-I604 WeakPolarHBondContact O-CG1 3.26Å; I604-Q606 VanDerWaalsContact C-N 3.28Å; I604-Q606 PolarHBondContact O-N 3.02Å; I604-L607 PolarHBondContact O-N 2.94Å; I604-I608 HydrophobicContact CG2-CD1 3.71Å; I604-I608 HydrophobicContact CG2-CG1 4.2Å; I604-I608 VanDerWaalsContact O-CG1 3.31Å; I604-I608 WeakPolarHBondContact O-CG1 3.21Å; I604-I608 PolarHBondContact O-N 3.1Å; I604-L619 HydrophobicContact CD1-CD2 3.9Å; I604-L619 HydrophobicContact CG1-CD2 4.15Å; I604-L619 HydrophobicContact CG2-CD1 4.25Å; I604-L626 HydrophobicContact CD1-CD1 3.58Å
605	H	82.8	Confident	82.8	Confident	126 Å²	126	56.3 Å²	56.3	58%	0.583	28%	0.284	S	S	*	.	H	α-helix	trans	-60.4	-35.8	175.5	65.6	-81.4	0	0	0	113	R603 A609	R603-H605 PolarHBondContact O-N 3.35Å; R603-H605 VanDerWaalsContact O-N 3.17Å; H605-A609 PolarHBondContact O-N 2.79Å; H605-A609 VanDerWaalsContact O-N 3.17Å
606	Q	83.3	Confident	82.8	Confident	62 Å²	62	48 Å²	48	29%	0.29	25%	0.248	S	C	.	.	H	α-helix	trans	-74.2	-39.7	176.6	-53.1	-172.6	6.7	0	0	110.4	L580 R603 I604 I608 A609 V610	L580-Q606 HydrophobicContact CD2-CB 3.97Å; R603-Q606 HydrophobicContact CB-CG 4.44Å; R603-Q606 WeakPolarHBondContact O-CB 3.44Å; R603-Q606 PolarHBondContact O-N 3.14Å; I604-Q606 VanDerWaalsContact C-N 3.28Å; I604-Q606 PolarHBondContact O-N 3.02Å; Q606-I608 PolarHBondContact O-N 3.29Å; Q606-A609 WeakPolarHBondContact O-CB 3.33Å; Q606-A609 PolarHBondContact O-N 2.65Å; Q606-V610 WeakPolarHBondContact O-CG2 3.21Å; Q606-V610 PolarHBondContact O-N 2.89Å; Q606-V610 VanDerWaalsContact O-N 3.1Å
607	L	84	Confident	82.9	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-45.1	174	-65.9	177.5	0	0	0	111.9	L580 I587 F588 I591 V600 R603 I604 A609 V610 D611 A615 L618	L580-L607 HydrophobicContact CD2-CD2 4.22Å; I587-L607 HydrophobicContact CD1-CD2 4.26Å; I587-L607 HydrophobicContact CG2-CD2 4.42Å; F588-L607 HydrophobicContact CE1-CB 4.07Å; F588-L607 HydrophobicContact CE1-CD2 3.99Å; F588-L607 HydrophobicContact CE1-CG 4.47Å; F588-L607 HydrophobicContact CZ-CB 4.22Å; F588-L607 HydrophobicContact CZ-CD2 4.34Å; F588-L607 WeakPolarHBondContact CZ-O 3.48Å; I591-L607 HydrophobicContact CD1-CD2 3.96Å; V600-L607 HydrophobicContact CB-CD1 3.98Å; V600-L607 HydrophobicContact CB-CG 4.49Å; V600-L607 HydrophobicContact CG2-CD1 3.99Å; R603-L607 PolarHBondContact O-N 3.17Å; I604-L607 PolarHBondContact O-N 2.94Å; L607-A609 VanDerWaalsContact C-N 3.26Å; L607-A609 PolarHBondContact O-N 2.97Å; L607-V610 WeakPolarHBondContact O-CB 3.42Å; L607-V610 PolarHBondContact O-N 3.24Å; L607-D611 PolarHBondContact O-N 2.73Å; L607-A615 HydrophobicContact CB-CB 4.17Å; L607-L618 HydrophobicContact CD1-CD2 4.01Å
608	I	82.7	Confident	83	Confident	36 Å²	36	53.1 Å²	53.1	19%	0.185	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-35.8	177.2	-67	168	0	0	0	111.1	I604 Q606 V610 A612 A615 L635 L641	I604-I608 HydrophobicContact CG2-CD1 3.71Å; I604-I608 HydrophobicContact CG2-CG1 4.2Å; I604-I608 VanDerWaalsContact O-CG1 3.31Å; I604-I608 WeakPolarHBondContact O-CG1 3.21Å; I604-I608 PolarHBondContact O-N 3.1Å; Q606-I608 PolarHBondContact O-N 3.29Å; I608-V610 VanDerWaalsContact C-N 3.26Å; I608-V610 PolarHBondContact O-N 2.69Å; I608-A612 HydrophobicContact CG2-CB 4.3Å; I608-A615 HydrophobicContact CG1-CB 3.98Å; I608-L635 HydrophobicContact CD1-CD2 3.74Å; I608-L641 HydrophobicContact CD1-CD1 4.31Å; I608-L641 HydrophobicContact CG2-CD1 3.86Å
609	A	83.7	Confident	83.1	Confident	69 Å²	69	48 Å²	48	57%	0.57	24%	0.244	S	C	*	.	H	α-helix	trans	-67.1	-26.3	175.3	0	0	0	0	0	113.2	N583 H605 Q606 L607	N583-A609 PolarHBondContact ND2-O 2.75Å; N583-A609 PolarHBondContact OD1-O 3.18Å; H605-A609 PolarHBondContact O-N 2.79Å; H605-A609 VanDerWaalsContact O-N 3.17Å; Q606-A609 WeakPolarHBondContact O-CB 3.33Å; Q606-A609 PolarHBondContact O-N 2.65Å; L607-A609 VanDerWaalsContact C-N 3.26Å; L607-A609 PolarHBondContact O-N 2.97Å
610	V	84.6	Confident	83	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.085	24%	0.235	C	C	.	.	H	α-helix	trans	-74.1	-58.1	172.2	-177.5	0	0	0	0	110.4	N583 K585 I587 F588 Q606 L607 I608	N583-V610 WeakPolarHBondContact OD1-CA 3.22Å; N583-V610 WeakPolarHBondContact OD1-CG2 3.19Å; N583-V610 PolarHBondContact OD1-N 3.27Å; K585-V610 HydrophobicContact CG-CG1 4.22Å; I587-V610 HydrophobicContact CG2-CG1 4.45Å; F588-V610 HydrophobicContact CE2-CB 3.94Å; F588-V610 HydrophobicContact CE2-CG1 3.68Å; F588-V610 HydrophobicContact CZ-CB 4.23Å; F588-V610 HydrophobicContact CZ-CG1 4.45Å; Q606-V610 WeakPolarHBondContact O-CG2 3.21Å; Q606-V610 PolarHBondContact O-N 2.89Å; Q606-V610 VanDerWaalsContact O-N 3.1Å; L607-V610 WeakPolarHBondContact O-CB 3.42Å; L607-V610 PolarHBondContact O-N 3.24Å; I608-V610 VanDerWaalsContact C-N 3.26Å; I608-V610 PolarHBondContact O-N 2.69Å
611	D	85.5	Confident	82.8	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.16	26%	0.258	C	S	.	.			trans	-162.1	116.2	179.1	-168.4	-67.4	0	0	0	110.7	K585 F588 L607 D613 L614 A615	K585-D611 WeakPolarHBondContact CE-OD2 3.47Å; K585-D611 IonicContact NZ-OD2 2.72Å; K585-D611 PolarHBondContact NZ-OD2 2.79Å; F588-D611 HydrophobicContact CE2-CB 3.81Å; F588-D611 HydrophobicContact CZ-CB 4.28Å; L607-D611 PolarHBondContact O-N 2.73Å; D611-D613 PolarHBondContact O-N 2.88Å; D611-D613 PolarHBondContact OD1-N 3.34Å; D611-D613 VanDerWaalsContact OD1-N 3.08Å; D611-L614 HydrophobicContact CB-CB 4.07Å; D611-L614 HydrophobicContact CB-CD1 3.94Å; D611-L614 HydrophobicContact CB-CG 4.4Å; D611-L614 PolarHBondContact OD1-N 2.97Å; D611-A615 VanDerWaalsContact O-CB 3.24Å; D611-A615 WeakPolarHBondContact O-CB 3.45Å; D611-A615 PolarHBondContact O-N 2.72Å
612	A	81.8	Confident	83	Confident	33 Å²	33	48.5 Å²	48.5	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-35.7	-176.1	0	0	0	0	0	113.3	I608 I616 L641	I608-A612 HydrophobicContact CG2-CB 4.3Å; A612-I616 WeakPolarHBondContact O-CD1 3.4Å; A612-I616 VanDerWaalsContact O-CG1 3.25Å; A612-I616 WeakPolarHBondContact O-CG1 3.39Å; A612-I616 PolarHBondContact O-N 2.9Å; A612-L641 HydrophobicContact CB-CD2 3.99Å
613	D	84.6	Confident	82.5	Confident	84 Å²	84	44.4 Å²	44.4	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-74.9	-42.1	-177.4	-84	-60.5	0	0	0	112.1	D611 A615 I616 R617 R648	D611-D613 PolarHBondContact O-N 2.88Å; D611-D613 PolarHBondContact OD1-N 3.34Å; D611-D613 VanDerWaalsContact OD1-N 3.08Å; D613-A615 VanDerWaalsContact C-N 3.34Å; D613-I616 PolarHBondContact O-N 3.24Å; D613-R617 PolarHBondContact O-N 2.82Å; D613-R617 VanDerWaalsContact O-N 3.11Å; D613-R648 IonicContact OD1-CZ 2.75Å; D613-R648 IonicContact OD1-NH1 3.18Å; D613-R648 PolarHBondContact OD1-NH1 2.97Å; D613-R648 IonicContact OD1-NH2 2.65Å
614	L	84.2	Confident	81.9	Confident	42 Å²	42	47.8 Å²	47.8	22%	0.22	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-39.4	173	-76.5	164.1	0	0	0	111.3	K585 F588 D611 R617 L618	K585-L614 HydrophobicContact CB-CD1 4.41Å; F588-L614 HydrophobicContact CB-CB 4.34Å; F588-L614 HydrophobicContact CB-CD2 4.37Å; F588-L614 HydrophobicContact CD1-CB 3.87Å; F588-L614 HydrophobicContact CD2-CB 3.62Å; F588-L614 HydrophobicContact CD2-CD1 3.72Å; F588-L614 HydrophobicContact CD2-CG 4.21Å; F588-L614 HydrophobicContact CE1-CB 4Å; F588-L614 HydrophobicContact CE2-CB 3.74Å; F588-L614 HydrophobicContact CE2-CD1 4.16Å; F588-L614 HydrophobicContact CG-CB 3.68Å; F588-L614 HydrophobicContact CG-CD1 4.33Å; F588-L614 HydrophobicContact CG-CG 4.42Å; F588-L614 HydrophobicContact CZ-CB 3.91Å; D611-L614 HydrophobicContact CB-CB 4.07Å; D611-L614 HydrophobicContact CB-CD1 3.94Å; D611-L614 HydrophobicContact CB-CG 4.4Å; D611-L614 PolarHBondContact OD1-N 2.97Å; L614-R617 PolarHBondContact O-N 2.96Å; L614-L618 WeakPolarHBondContact O-CB 3.26Å; L614-L618 PolarHBondContact O-N 3.23Å
615	A	85.3	Confident	81.8	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-45	175.3	0	0	0	0	0	111.9	F588 L607 I608 D611 D613 R617 L618 L619	F588-A615 HydrophobicContact CE1-CB 3.92Å; F588-A615 HydrophobicContact CZ-CB 4.15Å; L607-A615 HydrophobicContact CB-CB 4.17Å; I608-A615 HydrophobicContact CG1-CB 3.98Å; D611-A615 VanDerWaalsContact O-CB 3.24Å; D611-A615 WeakPolarHBondContact O-CB 3.45Å; D611-A615 PolarHBondContact O-N 2.72Å; D613-A615 VanDerWaalsContact C-N 3.34Å; A615-R617 VanDerWaalsContact C-N 3.34Å; A615-R617 PolarHBondContact O-N 2.81Å; A615-L618 PolarHBondContact O-N 3.18Å; A615-L619 VanDerWaalsContact O-CG 3.22Å; A615-L619 WeakPolarHBondContact O-CG 3.41Å; A615-L619 PolarHBondContact O-N 2.76Å
616	I	82.3	Confident	81.6	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-43.7	176.9	-73.1	166.1	0	0	0	111.3	A612 D613 L619 L620 L641 A644 Y645	A612-I616 WeakPolarHBondContact O-CD1 3.4Å; A612-I616 VanDerWaalsContact O-CG1 3.25Å; A612-I616 WeakPolarHBondContact O-CG1 3.39Å; A612-I616 PolarHBondContact O-N 2.9Å; D613-I616 PolarHBondContact O-N 3.24Å; I616-L619 PolarHBondContact O-N 2.88Å; I616-L620 HydrophobicContact CG2-CD1 3.97Å; I616-L620 WeakPolarHBondContact O-CG 3.21Å; I616-L620 PolarHBondContact O-N 2.72Å; I616-L641 HydrophobicContact CD1-CD2 4.18Å; I616-A644 HydrophobicContact CD1-CB 3.78Å; I616-Y645 HydrophobicContact CG2-CD2 4.16Å
617	R	85.1	Confident	81.6	Confident	117 Å²	117	44.7 Å²	44.7	44%	0.442	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-47.5	176.1	-77.2	-171.1	-75.4	170.4	-10.6	112	D613 L614 A615 L619 L620 E621	D613-R617 PolarHBondContact O-N 2.82Å; D613-R617 VanDerWaalsContact O-N 3.11Å; L614-R617 PolarHBondContact O-N 2.96Å; A615-R617 VanDerWaalsContact C-N 3.34Å; A615-R617 PolarHBondContact O-N 2.81Å; R617-L619 VanDerWaalsContact C-N 3.27Å; R617-L619 PolarHBondContact O-N 2.89Å; R617-L620 PolarHBondContact O-N 2.93Å; R617-L620 VanDerWaalsContact O-N 3.15Å; R617-E621 WeakPolarHBondContact O-CG 3.3Å; R617-E621 PolarHBondContact O-N 3.4Å
618	L	83.8	Confident	81.3	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-39.4	177.9	-175	71.4	0	0	0	111.7	F588 I591 F597 L607 L614 A615 E621 N622	F588-L618 HydrophobicContact CD1-CB 4.39Å; F588-L618 HydrophobicContact CD1-CD2 4.02Å; F588-L618 HydrophobicContact CE1-CD2 4.43Å; I591-L618 HydrophobicContact CB-CD1 4.38Å; I591-L618 HydrophobicContact CB-CD2 4.42Å; I591-L618 HydrophobicContact CD1-CD2 3.96Å; I591-L618 HydrophobicContact CG2-CD1 3.86Å; I591-L618 HydrophobicContact CG2-CD2 3.99Å; I591-L618 HydrophobicContact CG2-CG 4.5Å; F597-L618 HydrophobicContact CD2-CD1 4.33Å; F597-L618 HydrophobicContact CD2-CD2 3.96Å; F597-L618 HydrophobicContact CD2-CG 3.88Å; F597-L618 HydrophobicContact CE2-CD2 4.06Å; F597-L618 HydrophobicContact CE2-CG 3.97Å; L607-L618 HydrophobicContact CD1-CD2 4.01Å; L614-L618 WeakPolarHBondContact O-CB 3.26Å; L614-L618 PolarHBondContact O-N 3.23Å; A615-L618 PolarHBondContact O-N 3.18Å; L618-E621 PolarHBondContact O-N 2.85Å; L618-N622 WeakPolarHBondContact O-CB 3.41Å; L618-N622 PolarHBondContact O-N 2.96Å; L618-N622 PolarHBondContact O-ND2 2.88Å
619	L	83.9	Confident	81.1	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-41.6	176.6	-69.5	169.5	0	0	0	112.2	F597 I604 A615 I616 R617 N622 L626 V631 Y645	F597-L619 HydrophobicContact CE2-CD2 4.3Å; F597-L619 HydrophobicContact CZ-CD2 3.96Å; I604-L619 HydrophobicContact CD1-CD2 3.9Å; I604-L619 HydrophobicContact CG1-CD2 4.15Å; I604-L619 HydrophobicContact CG2-CD1 4.25Å; A615-L619 VanDerWaalsContact O-CG 3.22Å; A615-L619 WeakPolarHBondContact O-CG 3.41Å; A615-L619 PolarHBondContact O-N 2.76Å; I616-L619 PolarHBondContact O-N 2.88Å; R617-L619 VanDerWaalsContact C-N 3.27Å; R617-L619 PolarHBondContact O-N 2.89Å; L619-N622 CarbonylContact O-C 3.34Å; L619-N622 PolarHBondContact O-N 2.84Å; L619-L626 HydrophobicContact CD2-CD1 3.88Å; L619-V631 HydrophobicContact CD1-CG1 4.04Å; L619-V631 HydrophobicContact CD2-CG2 4.42Å; L619-Y645 HydrophobicContact CB-CE2 4.3Å
620	L	80.9	Confident	81.1	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-69.8	-33.2	178	-70.8	165.7	0	0	0	113	I616 R617 N622 E623 Y645 R648 L649 R652	I616-L620 HydrophobicContact CG2-CD1 3.97Å; I616-L620 WeakPolarHBondContact O-CG 3.21Å; I616-L620 PolarHBondContact O-N 2.72Å; R617-L620 PolarHBondContact O-N 2.93Å; R617-L620 VanDerWaalsContact O-N 3.15Å; L620-N622 VanDerWaalsContact C-N 3.26Å; L620-N622 PolarHBondContact O-N 3.23Å; L620-E623 WeakPolarHBondContact O-CG 3.49Å; L620-Y645 HydrophobicContact CD2-CD2 3.97Å; L620-Y645 HydrophobicContact CD2-CE1 4.5Å; L620-Y645 HydrophobicContact CD2-CE2 3.35Å; L620-Y645 HydrophobicContact CG-CD2 4.06Å; L620-Y645 HydrophobicContact CG-CE2 3.64Å; L620-R648 HydrophobicContact CD1-CB 3.43Å; L620-R648 VanDerWaalsContact CD1-CB 3.43Å; L620-R648 HydrophobicContact CD1-CG 4.34Å; L620-L649 HydrophobicContact CD2-CB 4.18Å; L620-L649 HydrophobicContact CD2-CD1 3.82Å; L620-R652 PolarHBondContact O-NH1 2.96Å
621	E	80.3	Confident	80.9	Confident	100 Å²	100	44.7 Å²	44.7	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-74.6	-20.5	176.8	-72.9	168	-172	0	0	112.4	R617 L618	R617-E621 WeakPolarHBondContact O-CG 3.3Å; R617-E621 PolarHBondContact O-N 3.4Å; L618-E621 PolarHBondContact O-N 2.85Å
622	N	80.7	Confident	80.7	Confident	35 Å²	35	44 Å²	44	19%	0.187	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	37.4	-178.6	-67.2	-89.7	0	0	0	112.6	F597 L618 L619 L620 D624 S625 L626	F597-N622 HydrophobicContact CB-CB 4.47Å; F597-N622 WeakPolarHBondContact CB-OD1 3.35Å; F597-N622 HydrophobicContact CD1-CB 3.66Å; F597-N622 HydrophobicContact CD2-CB 3.92Å; F597-N622 HydrophobicContact CE1-CB 3.78Å; F597-N622 HydrophobicContact CE2-CB 4.04Å; F597-N622 HydrophobicContact CG-CB 3.73Å; F597-N622 VanDerWaalsContact CG-CG 3.48Å; F597-N622 HydrophobicContact CZ-CB 3.97Å; L618-N622 WeakPolarHBondContact O-CB 3.41Å; L618-N622 PolarHBondContact O-N 2.96Å; L618-N622 PolarHBondContact O-ND2 2.88Å; L619-N622 CarbonylContact O-C 3.34Å; L619-N622 PolarHBondContact O-N 2.84Å; L620-N622 VanDerWaalsContact C-N 3.26Å; L620-N622 PolarHBondContact O-N 3.23Å; N622-D624 PolarHBondContact O-N 2.98Å; N622-S625 PolarHBondContact O-N 2.84Å; N622-L626 PolarHBondContact O-N 2.84Å; N622-L626 VanDerWaalsContact O-N 3.12Å
623	E	70	Confident	80.8	Confident	42 Å²	42	49.6 Å²	49.6	20%	0.196	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.8	177.1	-83.4	168.4	-151.5	0	0	113.1	L620 S625 L626 R652 Q654	L620-E623 WeakPolarHBondContact O-CG 3.49Å; E623-S625 PolarHBondContact O-N 2.84Å; E623-L626 CarbonylContact O-C 3.47Å; E623-L626 VanDerWaalsContact O-C 3.25Å; E623-L626 PolarHBondContact O-N 3.06Å; E623-L626 VanDerWaalsContact O-O 3.14Å; E623-R652 IonicContact OE1-CZ 3.81Å; E623-R652 IonicContact OE1-NH1 2.7Å; E623-R652 PolarHBondContact OE1-NH1 2.78Å; E623-Q654 PolarHBondContact OE1-OE1 3.3Å; E623-Q654 VanDerWaalsContact OE1-OE1 3.13Å; E623-Q654 PolarHBondContact OE2-NE2 2.92Å
624	D	72.4	Confident	80.7	Confident	169 Å²	169	50 Å²	50	90%	0.904	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.4	177.5	-63.6	-29.1	0	0	0	112.7	N622	N622-D624 PolarHBondContact O-N 2.98Å
625	S	76.2	Confident	80.6	Confident	75 Å²	75	48.3 Å²	48.3	52%	0.524	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-34.9	-179.7	-64.8	0	0	0	0	112.5	N622 E623	N622-S625 PolarHBondContact O-N 2.84Å; E623-S625 PolarHBondContact O-N 2.84Å
626	L	79	Confident	80.4	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	28%	0.278	C	S	.	.	S	Bend	trans	-134.7	112.3	177.5	-70.8	175.4	0	0	0	110.2	F597 I604 L619 N622 E623 T630 V631	F597-L626 HydrophobicContact CE1-CD1 3.83Å; F597-L626 HydrophobicContact CE1-CG 4.01Å; F597-L626 HydrophobicContact CZ-CD1 3.65Å; F597-L626 HydrophobicContact CZ-CG 4.31Å; I604-L626 HydrophobicContact CD1-CD1 3.58Å; L619-L626 HydrophobicContact CD2-CD1 3.88Å; N622-L626 PolarHBondContact O-N 2.84Å; N622-L626 VanDerWaalsContact O-N 3.12Å; E623-L626 CarbonylContact O-C 3.47Å; E623-L626 VanDerWaalsContact O-C 3.25Å; E623-L626 PolarHBondContact O-N 3.06Å; E623-L626 VanDerWaalsContact O-O 3.14Å; L626-T630 HydrophobicContact CD2-CG2 4Å; L626-V631 HydrophobicContact CB-CG2 4.01Å
627	S	81.8	Confident	80.4	Confident	45 Å²	45	64.3 Å²	64.3	32%	0.315	32%	0.318	S	S	.	.			trans	-60.3	147.1	174.5	67.8	0	0	0	0	111.1	S629 T630 V631	S627-S629 PolarHBondContact O-N 2.75Å; S627-S629 VanDerWaalsContact O-N 3.09Å; S627-S629 PolarHBondContact OG-OG 2.85Å; S627-T630 WeakPolarHBondContact O-CA 3.41Å; S627-T630 WeakPolarHBondContact O-CB 3.33Å; S627-T630 PolarHBondContact O-N 2.82Å; S627-T630 PolarHBondContact OG-N 2.84Å; S627-T630 PolarHBondContact OG-OG1 3.49Å; S627-V631 PolarHBondContact O-N 3.08Å
628	P	77.7	Confident	80.3	Confident	26 Å²	26	62.8 Å²	62.8	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-51	-36.3	174.1	-30.1	36.2	0	0	0	113.3	T630 V631 M632 Y645 L649 F658	P628-T630 VanDerWaalsContact C-N 3.33Å; P628-T630 PolarHBondContact O-N 2.95Å; P628-V631 PolarHBondContact O-N 3.21Å; P628-M632 WeakPolarHBondContact O-CB 3.25Å; P628-M632 VanDerWaalsContact O-CG 3.24Å; P628-M632 WeakPolarHBondContact O-CG 3.36Å; P628-M632 PolarHBondContact O-N 2.79Å; P628-Y645 WeakPolarHBondContact CA-OH 3.24Å; P628-Y645 HydrophobicContact CB-CE1 4.19Å; P628-L649 HydrophobicContact CB-CD2 4.02Å; P628-L649 HydrophobicContact CG-CD1 4.3Å; P628-L649 HydrophobicContact CG-CD2 4.42Å; P628-F658 HydrophobicContact CB-CE2 3.74Å; P628-F658 HydrophobicContact CB-CZ 4.06Å
629	S	80.4	Confident	80.2	Confident	46 Å²	46	64.4 Å²	64.4	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-34.1	174.7	55.5	0	0	0	0	113.8	S627 K633	S627-S629 PolarHBondContact O-N 2.75Å; S627-S629 VanDerWaalsContact O-N 3.09Å; S627-S629 PolarHBondContact OG-OG 2.85Å; S629-K633 VanDerWaalsContact O-CG 3.31Å; S629-K633 WeakPolarHBondContact O-CG 3.46Å; S629-K633 PolarHBondContact O-N 2.88Å
630	T	83	Confident	80.1	Confident	50 Å²	50	72.3 Å²	72.3	31%	0.307	36%	0.363	S	S	.	.	H	α-helix	trans	-74	-42.5	175.6	-56.1	0	0	0	0	110.8	L626 S627 P628 M632 K633 Q634	L626-T630 HydrophobicContact CD2-CG2 4Å; S627-T630 WeakPolarHBondContact O-CA 3.41Å; S627-T630 WeakPolarHBondContact O-CB 3.33Å; S627-T630 PolarHBondContact O-N 2.82Å; S627-T630 PolarHBondContact OG-N 2.84Å; S627-T630 PolarHBondContact OG-OG1 3.49Å; P628-T630 VanDerWaalsContact C-N 3.33Å; P628-T630 PolarHBondContact O-N 2.95Å; T630-M632 VanDerWaalsContact C-N 3.35Å; T630-M632 PolarHBondContact O-N 2.76Å; T630-K633 PolarHBondContact O-N 2.92Å; T630-Q634 WeakPolarHBondContact O-CG 3.36Å; T630-Q634 PolarHBondContact O-N 3Å
631	V	81.2	Confident	80.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-46.1	175.2	178.2	0	0	0	0	110.5	L619 L626 S627 P628 K633 Q634 L635 Y645	L619-V631 HydrophobicContact CD1-CG1 4.04Å; L619-V631 HydrophobicContact CD2-CG2 4.42Å; L626-V631 HydrophobicContact CB-CG2 4.01Å; S627-V631 PolarHBondContact O-N 3.08Å; P628-V631 PolarHBondContact O-N 3.21Å; V631-K633 VanDerWaalsContact C-N 3.29Å; V631-K633 PolarHBondContact O-N 3.45Å; V631-Q634 PolarHBondContact O-N 3.24Å; V631-Q634 VanDerWaalsContact O-N 3.14Å; V631-L635 HydrophobicContact CG1-CD1 3.71Å; V631-L635 HydrophobicContact CG1-CG 4.21Å; V631-L635 WeakPolarHBondContact O-CB 3.39Å; V631-L635 WeakPolarHBondContact O-CG 3.38Å; V631-L635 PolarHBondContact O-N 3.5Å; V631-Y645 HydrophobicContact CB-CE1 4.33Å; V631-Y645 HydrophobicContact CB-CE2 4.34Å; V631-Y645 HydrophobicContact CG1-CD1 4.3Å; V631-Y645 HydrophobicContact CG1-CD2 3.91Å; V631-Y645 HydrophobicContact CG1-CE1 4.15Å; V631-Y645 HydrophobicContact CG1-CE2 3.74Å; V631-Y645 HydrophobicContact CG1-CG 4.2Å
632	M	81	Confident	80.4	Confident	14 Å²	14	69.6 Å²	69.6	7%	0.069	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-35	177.4	-72.8	-62.4	-71.4	0	0	113	P628 T630 I636 Q642 Y645 L646 F658 L665	P628-M632 WeakPolarHBondContact O-CB 3.25Å; P628-M632 VanDerWaalsContact O-CG 3.24Å; P628-M632 WeakPolarHBondContact O-CG 3.36Å; P628-M632 PolarHBondContact O-N 2.79Å; T630-M632 VanDerWaalsContact C-N 3.35Å; T630-M632 PolarHBondContact O-N 2.76Å; M632-I636 PolarHBondContact O-N 3.15Å; M632-Q642 HydrophobicContact CE-CB 3.89Å; M632-Q642 HydrophobicContact CE-CG 4.02Å; M632-Q642 PolarHBondContact O-NE2 2.74Å; M632-Q642 HydrophobicContact SD-CB 4.11Å; M632-Q642 HydrophobicContact SD-CG 4.12Å; M632-Y645 HydrophobicContact CG-CD1 4.47Å; M632-Y645 HydrophobicContact SD-CD1 3.98Å; M632-L646 HydrophobicContact CE-CD1 3.76Å; M632-L646 HydrophobicContact CE-CD2 4.17Å; M632-L646 HydrophobicContact CE-CG 3.98Å; M632-L646 HydrophobicContact SD-CD1 4.44Å; M632-L646 HydrophobicContact SD-CD2 4.08Å; M632-L646 HydrophobicContact SD-CG 4Å; M632-F658 HydrophobicContact CB-CE1 4.48Å; M632-F658 HydrophobicContact CG-CD1 4.45Å; M632-F658 HydrophobicContact CG-CE1 4.04Å; M632-F658 HydrophobicContact CG-CZ 4.27Å; M632-L665 HydrophobicContact CE-CD1 4.32Å
633	K	83.2	Confident	80.6	Confident	152 Å²	152	68.4 Å²	68.4	66%	0.661	35%	0.345	S	S	*	.	H	α-helix	trans	-69.9	-39.6	173.5	-74.8	172.7	-175.6	176.5	0	112.5	S629 T630 V631 L635 I636	S629-K633 VanDerWaalsContact O-CG 3.31Å; S629-K633 WeakPolarHBondContact O-CG 3.46Å; S629-K633 PolarHBondContact O-N 2.88Å; T630-K633 PolarHBondContact O-N 2.92Å; V631-K633 VanDerWaalsContact C-N 3.29Å; V631-K633 PolarHBondContact O-N 3.45Å; K633-L635 VanDerWaalsContact C-N 3.33Å; K633-I636 WeakPolarHBondContact O-CB 3.32Å; K633-I636 VanDerWaalsContact O-CG2 3.24Å; K633-I636 WeakPolarHBondContact O-CG2 3.29Å; K633-I636 PolarHBondContact O-N 3.42Å
634	Q	81.7	Confident	81.1	Confident	92 Å²	92	67.6 Å²	67.6	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-69.7	-33.5	177.3	-71.6	174.9	-15.2	0	0	112	T630 V631 I636	T630-Q634 WeakPolarHBondContact O-CG 3.36Å; T630-Q634 PolarHBondContact O-N 3Å; V631-Q634 PolarHBondContact O-N 3.24Å; V631-Q634 VanDerWaalsContact O-N 3.14Å; Q634-I636 VanDerWaalsContact C-N 3.31Å; Q634-I636 PolarHBondContact O-N 3.41Å
635	L	81.9	Confident	81.7	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	8	176.9	-62.4	179.8	0	0	0	113.8	I608 V631 K633 R637 L638 L641 Q642	I608-L635 HydrophobicContact CD1-CD2 3.74Å; V631-L635 HydrophobicContact CG1-CD1 3.71Å; V631-L635 HydrophobicContact CG1-CG 4.21Å; V631-L635 WeakPolarHBondContact O-CB 3.39Å; V631-L635 WeakPolarHBondContact O-CG 3.38Å; V631-L635 PolarHBondContact O-N 3.5Å; K633-L635 VanDerWaalsContact C-N 3.33Å; L635-R637 PolarHBondContact O-N 2.79Å; L635-L638 CarbonylContact O-C 3.51Å; L635-L638 PolarHBondContact O-N 3.03Å; L635-L641 HydrophobicContact CD1-CB 4.46Å; L635-L641 HydrophobicContact CD2-CB 4.43Å; L635-L641 HydrophobicContact CD2-CD1 4.43Å; L635-Q642 HydrophobicContact CB-CG 3.74Å; L635-Q642 WeakPolarHBondContact O-CG 3.42Å
636	I	82.6	Confident	82.1	Confident	116 Å²	116	56 Å²	56	60%	0.595	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.2	-172.9	-161.1	162.2	0	0	0	114.3	M632 K633 Q634 L638	M632-I636 PolarHBondContact O-N 3.15Å; K633-I636 WeakPolarHBondContact O-CB 3.32Å; K633-I636 VanDerWaalsContact O-CG2 3.24Å; K633-I636 WeakPolarHBondContact O-CG2 3.29Å; K633-I636 PolarHBondContact O-N 3.42Å; Q634-I636 VanDerWaalsContact C-N 3.31Å; Q634-I636 PolarHBondContact O-N 3.41Å; I636-L638 VanDerWaalsContact C-N 3.34Å
637	R	81.7	Confident	82.3	Confident	228 Å²	228	57.7 Å²	57.7	86%	0.86	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.5	177.8	-61.7	-172.6	-179.4	-173.3	0.3	113.6	L635	L635-R637 PolarHBondContact O-N 2.79Å
638	L	83.5	Confident	82.3	Confident	85 Å²	85	59.6 Å²	59.6	45%	0.445	29%	0.285	S	S	.	.			trans	-131.2	72.8	-171.2	-63.5	171.8	0	0	0	110.5	L635 I636 K640 L641 Q642	L635-L638 CarbonylContact O-C 3.51Å; L635-L638 PolarHBondContact O-N 3.03Å; I636-L638 VanDerWaalsContact C-N 3.34Å; L638-K640 VanDerWaalsContact C-N 3.27Å; L638-K640 PolarHBondContact O-N 2.79Å; L638-L641 HydrophobicContact CB-CB 4.13Å; L638-L641 HydrophobicContact CB-CD1 4.03Å; L638-L641 HydrophobicContact CB-CG 4.21Å; L638-L641 HydrophobicContact CD1-CD1 3.66Å; L638-L641 HydrophobicContact CG-CD1 4.38Å; L638-L641 PolarHBondContact O-N 2.79Å; L638-Q642 PolarHBondContact O-N 2.8Å
639	P	82.1	Confident	82.7	Confident	39 Å²	39	58.4 Å²	58.4	25%	0.253	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-30.7	-172.9	20.8	-32.1	0	0	0	114	L641 Q642 L643 L665 H669	P639-L641 VanDerWaalsContact C-N 3.35Å; P639-L641 PolarHBondContact O-N 2.77Å; P639-Q642 WeakPolarHBondContact O-CB 3.37Å; P639-Q642 PolarHBondContact O-N 2.77Å; P639-L643 PolarHBondContact O-N 2.8Å; P639-L665 HydrophobicContact CB-CD2 4.36Å; P639-H669 WeakPolarHBondContact CB-NE2 3.48Å; P639-H669 WeakPolarHBondContact CG-NE2 3.32Å
640	K	81.5	Confident	82.8	Confident	169 Å²	169	57.6 Å²	57.6	74%	0.735	27%	0.268	S	S	*	.	H	α-helix	trans	-65.2	-36.9	173.7	-66.4	-174.8	179.8	-179.2	0	112.7	L638 A644	L638-K640 VanDerWaalsContact C-N 3.27Å; L638-K640 PolarHBondContact O-N 2.79Å; K640-A644 PolarHBondContact O-N 3.4Å
641	L	81.2	Confident	82.7	Confident	33 Å²	33	59 Å²	59	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-76.7	-33.3	176.2	-64.3	-177.9	0	0	0	111.4	I608 A612 I616 L635 L638 P639 L643 A644 Y645	I608-L641 HydrophobicContact CD1-CD1 4.31Å; I608-L641 HydrophobicContact CG2-CD1 3.86Å; A612-L641 HydrophobicContact CB-CD2 3.99Å; I616-L641 HydrophobicContact CD1-CD2 4.18Å; L635-L641 HydrophobicContact CD1-CB 4.46Å; L635-L641 HydrophobicContact CD2-CB 4.43Å; L635-L641 HydrophobicContact CD2-CD1 4.43Å; L638-L641 HydrophobicContact CB-CB 4.13Å; L638-L641 HydrophobicContact CB-CD1 4.03Å; L638-L641 HydrophobicContact CB-CG 4.21Å; L638-L641 HydrophobicContact CD1-CD1 3.66Å; L638-L641 HydrophobicContact CG-CD1 4.38Å; L638-L641 PolarHBondContact O-N 2.79Å; P639-L641 VanDerWaalsContact C-N 3.35Å; P639-L641 PolarHBondContact O-N 2.77Å; L641-L643 VanDerWaalsContact C-N 3.33Å; L641-A644 PolarHBondContact O-N 3.21Å; L641-Y645 WeakPolarHBondContact O-CB 3.46Å; L641-Y645 PolarHBondContact O-N 2.91Å
642	Q	85.1	Confident	82.6	Confident	22 Å²	22	65.5 Å²	65.5	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-58	-46.8	169.5	-70	-177	-52.9	0	0	110.9	M632 L635 L638 P639 Y645 L646 L665	M632-Q642 HydrophobicContact CE-CB 3.89Å; M632-Q642 HydrophobicContact CE-CG 4.02Å; M632-Q642 PolarHBondContact O-NE2 2.74Å; M632-Q642 HydrophobicContact SD-CB 4.11Å; M632-Q642 HydrophobicContact SD-CG 4.12Å; L635-Q642 HydrophobicContact CB-CG 3.74Å; L635-Q642 WeakPolarHBondContact O-CG 3.42Å; L638-Q642 PolarHBondContact O-N 2.8Å; P639-Q642 WeakPolarHBondContact O-CB 3.37Å; P639-Q642 PolarHBondContact O-N 2.77Å; Q642-Y645 PolarHBondContact O-N 2.85Å; Q642-L646 WeakPolarHBondContact O-CB 3.18Å; Q642-L646 VanDerWaalsContact O-CG 3.25Å; Q642-L646 WeakPolarHBondContact O-CG 3.36Å; Q642-L646 PolarHBondContact O-N 2.99Å; Q642-L665 HydrophobicContact CB-CD1 4.2Å
643	L	84.4	Confident	82.3	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174.6	-80.7	176.3	0	0	0	112.3	P639 L641 Y645 L646 E647 L665 Y666 H669 N670	P639-L643 PolarHBondContact O-N 2.8Å; L641-L643 VanDerWaalsContact C-N 3.33Å; L643-Y645 VanDerWaalsContact C-N 3.31Å; L643-Y645 PolarHBondContact O-N 3.43Å; L643-L646 PolarHBondContact O-N 2.75Å; L643-E647 WeakPolarHBondContact O-CB 3.23Å; L643-E647 VanDerWaalsContact O-CG 3.31Å; L643-E647 WeakPolarHBondContact O-CG 3.44Å; L643-E647 PolarHBondContact O-N 2.88Å; L643-L665 HydrophobicContact CD2-CB 3.6Å; L643-L665 HydrophobicContact CD2-CD1 4.48Å; L643-L665 HydrophobicContact CG-CB 4.05Å; L643-Y666 HydrophobicContact CD2-CD1 4.15Å; L643-Y666 HydrophobicContact CD2-CD2 4.48Å; L643-Y666 HydrophobicContact CD2-CE1 4.14Å; L643-Y666 HydrophobicContact CD2-CE2 4.48Å; L643-Y666 HydrophobicContact CD2-CG 4.3Å; L643-H669 HydrophobicContact CD1-CB 3.78Å; L643-N670 HydrophobicContact CD1-CB 4.25Å
644	A	82.3	Confident	82.2	Confident	24 Å²	24	63.6 Å²	63.6	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-36	178.9	0	0	0	0	0	113	I616 K640 L641 R648	I616-A644 HydrophobicContact CD1-CB 3.78Å; K640-A644 PolarHBondContact O-N 3.4Å; L641-A644 PolarHBondContact O-N 3.21Å; A644-R648 PolarHBondContact O-N 3.35Å
645	Y	84.4	Confident	81.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-48.8	173.2	179.8	-97.8	0	0	0	111.2	I616 L619 L620 P628 V631 M632 L641 Q642 L643 R648 L649	I616-Y645 HydrophobicContact CG2-CD2 4.16Å; L619-Y645 HydrophobicContact CB-CE2 4.3Å; L620-Y645 HydrophobicContact CD2-CD2 3.97Å; L620-Y645 HydrophobicContact CD2-CE1 4.5Å; L620-Y645 HydrophobicContact CD2-CE2 3.35Å; L620-Y645 HydrophobicContact CG-CD2 4.06Å; L620-Y645 HydrophobicContact CG-CE2 3.64Å; P628-Y645 WeakPolarHBondContact CA-OH 3.24Å; P628-Y645 HydrophobicContact CB-CE1 4.19Å; V631-Y645 HydrophobicContact CB-CE1 4.33Å; V631-Y645 HydrophobicContact CB-CE2 4.34Å; V631-Y645 HydrophobicContact CG1-CD1 4.3Å; V631-Y645 HydrophobicContact CG1-CD2 3.91Å; V631-Y645 HydrophobicContact CG1-CE1 4.15Å; V631-Y645 HydrophobicContact CG1-CE2 3.74Å; V631-Y645 HydrophobicContact CG1-CG 4.2Å; M632-Y645 HydrophobicContact CG-CD1 4.47Å; M632-Y645 HydrophobicContact SD-CD1 3.98Å; L641-Y645 WeakPolarHBondContact O-CB 3.46Å; L641-Y645 PolarHBondContact O-N 2.91Å; Q642-Y645 PolarHBondContact O-N 2.85Å; L643-Y645 VanDerWaalsContact C-N 3.31Å; L643-Y645 PolarHBondContact O-N 3.43Å; Y645-R648 PolarHBondContact O-N 3.05Å; Y645-L649 HydrophobicContact CE1-CD2 4.06Å; Y645-L649 WeakPolarHBondContact O-CB 3.34Å; Y645-L649 PolarHBondContact O-N 3.08Å
646	L	85.1	Confident	81.8	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-43.6	178.3	-74.1	177.2	0	0	0	112.2	M632 Q642 L643 R648 L649 F650 F658 A662 L665	M632-L646 HydrophobicContact CE-CD1 3.76Å; M632-L646 HydrophobicContact CE-CD2 4.17Å; M632-L646 HydrophobicContact CE-CG 3.98Å; M632-L646 HydrophobicContact SD-CD1 4.44Å; M632-L646 HydrophobicContact SD-CD2 4.08Å; M632-L646 HydrophobicContact SD-CG 4Å; Q642-L646 WeakPolarHBondContact O-CB 3.18Å; Q642-L646 VanDerWaalsContact O-CG 3.25Å; Q642-L646 WeakPolarHBondContact O-CG 3.36Å; Q642-L646 PolarHBondContact O-N 2.99Å; L643-L646 PolarHBondContact O-N 2.75Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 2.88Å; L646-L649 HydrophobicContact CD2-CD2 4.41Å; L646-L649 PolarHBondContact O-N 3.43Å; L646-L649 VanDerWaalsContact O-N 3.16Å; L646-F650 HydrophobicContact CB-CD2 4.14Å; L646-F650 HydrophobicContact CB-CE2 3.75Å; L646-F650 HydrophobicContact CB-CZ 4.46Å; L646-F650 HydrophobicContact CD2-CE2 4.34Å; L646-F650 HydrophobicContact CD2-CZ 4.22Å; L646-F650 HydrophobicContact CG-CE2 4.44Å; L646-F650 WeakPolarHBondContact O-CB 3.38Å; L646-F650 WeakPolarHBondContact O-CD2 3.48Å; L646-F650 WeakPolarHBondContact O-CG 3.48Å; L646-F650 PolarHBondContact O-N 2.91Å; L646-F658 HydrophobicContact CD2-CB 3.61Å; L646-F658 HydrophobicContact CD2-CD2 3.96Å; L646-F658 HydrophobicContact CD2-CG 3.78Å; L646-A662 HydrophobicContact CD1-CB 4.41Å; L646-L665 HydrophobicContact CD1-CD1 3.63Å
647	E	82.8	Confident	81.7	Confident	54 Å²	54	65.9 Å²	65.9	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-54.8	-43.4	176	-80.6	178.9	-179	0	0	111.6	L643 A651 Y666 R673	L643-E647 WeakPolarHBondContact O-CB 3.23Å; L643-E647 VanDerWaalsContact O-CG 3.31Å; L643-E647 WeakPolarHBondContact O-CG 3.44Å; L643-E647 PolarHBondContact O-N 2.88Å; E647-A651 WeakPolarHBondContact O-CB 3.34Å; E647-A651 PolarHBondContact O-N 3.2Å; E647-Y666 WeakPolarHBondContact CG-OH 3.24Å; E647-R673 IonicContact OE1-CZ 3.61Å; E647-R673 IonicContact OE1-NH1 3.43Å; E647-R673 PolarHBondContact OE1-NH1 3.29Å; E647-R673 IonicContact OE2-NH1 3.38Å; E647-R673 PolarHBondContact OE2-NH1 3.02Å
648	R	82.5	Confident	81.8	Confident	85 Å²	85	55.8 Å²	55.8	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-74.1	-37.6	177.1	-75.9	-176.1	158.6	111.6	-3	112.9	D613 L620 A644 Y645 L646 A651 R652	D613-R648 IonicContact OD1-CZ 2.75Å; D613-R648 IonicContact OD1-NH1 3.18Å; D613-R648 PolarHBondContact OD1-NH1 2.97Å; D613-R648 IonicContact OD1-NH2 2.65Å; L620-R648 HydrophobicContact CD1-CB 3.43Å; L620-R648 VanDerWaalsContact CD1-CB 3.43Å; L620-R648 HydrophobicContact CD1-CG 4.34Å; A644-R648 PolarHBondContact O-N 3.35Å; Y645-R648 PolarHBondContact O-N 3.05Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 2.88Å; R648-A651 PolarHBondContact O-N 3.17Å; R648-R652 PolarHBondContact O-N 3.4Å
649	L	84.2	Confident	81.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-45.9	175.5	-170.6	68.1	0	0	0	110.9	L620 P628 Y645 L646 A651 R652 Q654 F658	L620-L649 HydrophobicContact CD2-CB 4.18Å; L620-L649 HydrophobicContact CD2-CD1 3.82Å; P628-L649 HydrophobicContact CB-CD2 4.02Å; P628-L649 HydrophobicContact CG-CD1 4.3Å; P628-L649 HydrophobicContact CG-CD2 4.42Å; Y645-L649 HydrophobicContact CE1-CD2 4.06Å; Y645-L649 WeakPolarHBondContact O-CB 3.34Å; Y645-L649 PolarHBondContact O-N 3.08Å; L646-L649 HydrophobicContact CD2-CD2 4.41Å; L646-L649 PolarHBondContact O-N 3.43Å; L646-L649 VanDerWaalsContact O-N 3.16Å; L649-A651 VanDerWaalsContact C-N 3.34Å; L649-A651 PolarHBondContact O-N 3.49Å; L649-R652 PolarHBondContact O-N 3.24Å; L649-R652 VanDerWaalsContact O-N 3.15Å; L649-Q654 CarbonylContact C-O 3.54Å; L649-Q654 HydrophobicContact CD1-CB 3.87Å; L649-Q654 HydrophobicContact CG-CB 4.1Å; L649-Q654 PolarHBondContact O-N 2.77Å; L649-F658 HydrophobicContact CD2-CD2 3.97Å; L649-F658 HydrophobicContact CD2-CE2 4.07Å
650	F	83.1	Confident	81.7	Confident	28 Å²	28	52.3 Å²	52.3	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-34.4	176.1	-66.2	-45.2	0	0	0	112.8	L646 R652 G653 Q654 G655 F658 A662 F677	L646-F650 HydrophobicContact CB-CD2 4.14Å; L646-F650 HydrophobicContact CB-CE2 3.75Å; L646-F650 HydrophobicContact CB-CZ 4.46Å; L646-F650 HydrophobicContact CD2-CE2 4.34Å; L646-F650 HydrophobicContact CD2-CZ 4.22Å; L646-F650 HydrophobicContact CG-CE2 4.44Å; L646-F650 WeakPolarHBondContact O-CB 3.38Å; L646-F650 WeakPolarHBondContact O-CD2 3.48Å; L646-F650 WeakPolarHBondContact O-CG 3.48Å; L646-F650 PolarHBondContact O-N 2.91Å; F650-R652 PolarHBondContact O-N 3.39Å; F650-G653 PolarHBondContact O-N 3.46Å; F650-Q654 WeakPolarHBondContact CD1-O 3.47Å; F650-G655 WeakPolarHBondContact CE1-O 3.3Å; F650-F658 HydrophobicContact CZ-CB 4.17Å; F650-A662 HydrophobicContact CE2-CB 3.51Å; F650-A662 HydrophobicContact CZ-CB 3.64Å; F650-F677 AromaticContact CD2-CE2 3.99Å; F650-F677 HydrophobicContact CD2-CE2 3.99Å; F650-F677 AromaticContact CE2-CE2 3.93Å; F650-F677 HydrophobicContact CE2-CE2 3.93Å; F650-F677 HydrophobicContact CE2-CZ 4.34Å; F650-F677 HydrophobicContact CZ-CE2 4.43Å; F650-F677 HydrophobicContact CZ-CZ 4.48Å
651	A	80.6	Confident	81.9	Confident	79 Å²	79	48 Å²	48	65%	0.653	26%	0.255	S	S	*	.	H	α-helix	trans	-63.2	-24.1	174.8	0	0	0	0	0	113.1	E647 R648 L649 G653	E647-A651 WeakPolarHBondContact O-CB 3.34Å; E647-A651 PolarHBondContact O-N 3.2Å; R648-A651 PolarHBondContact O-N 3.17Å; L649-A651 VanDerWaalsContact C-N 3.34Å; L649-A651 PolarHBondContact O-N 3.49Å; A651-G653 VanDerWaalsContact C-N 3.32Å
652	R	78.9	Confident	82	Confident	137 Å²	137	46.4 Å²	46.4	52%	0.517	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.1	172.6	-63.8	176.8	81.5	179	10	113.6	L620 E623 R648 L649 F650 Q654	L620-R652 PolarHBondContact O-NH1 2.96Å; E623-R652 IonicContact OE1-CZ 3.81Å; E623-R652 IonicContact OE1-NH1 2.7Å; E623-R652 PolarHBondContact OE1-NH1 2.78Å; R648-R652 PolarHBondContact O-N 3.4Å; L649-R652 PolarHBondContact O-N 3.24Å; L649-R652 VanDerWaalsContact O-N 3.15Å; F650-R652 PolarHBondContact O-N 3.39Å; R652-Q654 VanDerWaalsContact C-N 3.33Å
653	G	76.4	Confident	81.9	Confident	58 Å²	58	45.5 Å²	45.5	60%	0.598	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	20	-173.3	0	0	0	0	0	113.8	F650 A651	F650-G653 PolarHBondContact O-N 3.46Å; A651-G653 VanDerWaalsContact C-N 3.32Å
654	Q	80	Confident	82	Confident	69 Å²	69	48.5 Å²	48.5	32%	0.322	26%	0.259	S	S	.	.			trans	-110.8	168.5	177.6	-67.7	171.3	-48.5	0	0	110.9	E623 L649 F650 R652	E623-Q654 PolarHBondContact OE1-OE1 3.3Å; E623-Q654 VanDerWaalsContact OE1-OE1 3.13Å; E623-Q654 PolarHBondContact OE2-NE2 2.92Å; L649-Q654 CarbonylContact C-O 3.54Å; L649-Q654 HydrophobicContact CD1-CB 3.87Å; L649-Q654 HydrophobicContact CG-CB 4.1Å; L649-Q654 PolarHBondContact O-N 2.77Å; F650-Q654 WeakPolarHBondContact CD1-O 3.47Å; R652-Q654 VanDerWaalsContact C-N 3.33Å
655	G	76.1	Confident	82.1	Confident	13 Å²	13	48 Å²	48	13%	0.134	25%	0.253	C	S	.	.			trans	89.2	20.2	171.3	0	0	0	0	0	115.2	F650 E657 F658	F650-G655 WeakPolarHBondContact CE1-O 3.3Å; G655-E657 PolarHBondContact O-N 3.26Å; G655-F658 WeakPolarHBondContact O-CA 3.37Å; G655-F658 WeakPolarHBondContact O-CB 3.35Å; G655-F658 PolarHBondContact O-N 3.27Å
656	E	78.5	Confident	82.2	Confident	111 Å²	111	48.6 Å²	48.6	52%	0.519	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-49.8	-34.5	177.8	-61.7	178.6	178.4	0	0	113	F658 G659 H683	E656-F658 PolarHBondContact O-N 3.25Å; E656-F658 VanDerWaalsContact O-N 3.14Å; E656-G659 PolarHBondContact O-N 3.19Å; E656-H683 HydrophobicContact CB-CB 4.18Å; E656-H683 HydrophobicContact CG-CB 4.1Å; E656-H683 IonicContact OE1-CE1 2.71Å; E656-H683 PolarHBondContact OE1-CE1 3.42Å; E656-H683 IonicContact OE1-ND1 3.96Å; E656-H683 IonicContact OE1-NE2 3.98Å
657	E	81	Confident	82.1	Confident	138 Å²	138	49.2 Å²	49.2	65%	0.645	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.9	-22	175.1	64.3	179.5	-177.4	0	0	114.2	G655	G655-E657 PolarHBondContact O-N 3.26Å
658	F	83.8	Confident	82.2	Confident	15 Å²	15	51.7 Å²	51.7	7%	0.066	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-96.5	4.2	178.1	-54.8	-70.1	0	0	0	113.1	P628 M632 L646 L649 F650 G655 E656 D660 I661 A662	P628-F658 HydrophobicContact CB-CE2 3.74Å; P628-F658 HydrophobicContact CB-CZ 4.06Å; M632-F658 HydrophobicContact CB-CE1 4.48Å; M632-F658 HydrophobicContact CG-CD1 4.45Å; M632-F658 HydrophobicContact CG-CE1 4.04Å; M632-F658 HydrophobicContact CG-CZ 4.27Å; L646-F658 HydrophobicContact CD2-CB 3.61Å; L646-F658 HydrophobicContact CD2-CD2 3.96Å; L646-F658 HydrophobicContact CD2-CG 3.78Å; L649-F658 HydrophobicContact CD2-CD2 3.97Å; L649-F658 HydrophobicContact CD2-CE2 4.07Å; F650-F658 HydrophobicContact CZ-CB 4.17Å; G655-F658 WeakPolarHBondContact O-CA 3.37Å; G655-F658 WeakPolarHBondContact O-CB 3.35Å; G655-F658 PolarHBondContact O-N 3.27Å; E656-F658 PolarHBondContact O-N 3.25Å; E656-F658 VanDerWaalsContact O-N 3.14Å; F658-D660 PolarHBondContact O-N 2.85Å; F658-I661 HydrophobicContact CD1-CD1 4.03Å; F658-I661 CarbonylContact O-C 3.52Å; F658-I661 PolarHBondContact O-N 2.85Å; F658-I661 VanDerWaalsContact O-N 3.13Å; F658-A662 WeakPolarHBondContact O-CB 3.48Å; F658-A662 PolarHBondContact O-N 3.24Å
659	G	80.8	Confident	82.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-48	-177.9	0	0	0	0	0	113.2	E656 I661 A662 V663 H683	E656-G659 PolarHBondContact O-N 3.19Å; G659-I661 PolarHBondContact O-N 3.47Å; G659-A662 WeakPolarHBondContact O-CB 3.34Å; G659-A662 PolarHBondContact O-N 2.81Å; G659-V663 WeakPolarHBondContact O-CG2 3.4Å; G659-V663 PolarHBondContact O-N 3.48Å; G659-V663 VanDerWaalsContact O-N 3.09Å; G659-H683 WeakPolarHBondContact CA-O 3.35Å
660	D	83.8	Confident	82.3	Confident	50 Å²	50	53.8 Å²	53.8	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-66.2	-38.2	177.7	-67.6	-16.2	0	0	0	112.2	F658 A662 V663 L664 T685 K688	F658-D660 PolarHBondContact O-N 2.85Å; D660-A662 VanDerWaalsContact C-N 3.34Å; D660-V663 PolarHBondContact O-N 3.35Å; D660-L664 PolarHBondContact O-N 2.83Å; D660-T685 PolarHBondContact OD1-N 3.5Å; D660-T685 PolarHBondContact OD1-OG1 2.9Å; D660-T685 VanDerWaalsContact OD1-OG1 3.06Å; D660-T685 PolarHBondContact OD2-OG1 2.89Å; D660-K688 WeakPolarHBondContact OD2-CD 3.39Å; D660-K688 IonicContact OD2-NZ 3.98Å; D660-K688 PolarHBondContact OD2-NZ 2.85Å
661	I	84.2	Confident	82.3	Confident	78 Å²	78	58.4 Å²	58.4	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-37.6	177.5	-65	166.7	0	0	0	110.1	F658 G659 L664 L665	F658-I661 HydrophobicContact CD1-CD1 4.03Å; F658-I661 CarbonylContact O-C 3.52Å; F658-I661 PolarHBondContact O-N 2.85Å; F658-I661 VanDerWaalsContact O-N 3.13Å; G659-I661 PolarHBondContact O-N 3.47Å; I661-L664 PolarHBondContact O-N 2.85Å; I661-L665 HydrophobicContact CG2-CD1 3.86Å; I661-L665 HydrophobicContact CG2-CG 4.19Å; I661-L665 WeakPolarHBondContact O-CB 3.44Å; I661-L665 WeakPolarHBondContact O-CG 3.31Å; I661-L665 PolarHBondContact O-N 3.36Å
662	A	84.4	Confident	82.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-43.2	176.4	0	0	0	0	0	111.1	L646 F650 F658 G659 D660 L664 L665 Y666 F677	L646-A662 HydrophobicContact CD1-CB 4.41Å; F650-A662 HydrophobicContact CE2-CB 3.51Å; F650-A662 HydrophobicContact CZ-CB 3.64Å; F658-A662 WeakPolarHBondContact O-CB 3.48Å; F658-A662 PolarHBondContact O-N 3.24Å; G659-A662 WeakPolarHBondContact O-CB 3.34Å; G659-A662 PolarHBondContact O-N 2.81Å; D660-A662 VanDerWaalsContact C-N 3.34Å; A662-L664 VanDerWaalsContact C-N 3.28Å; A662-L664 PolarHBondContact O-N 2.95Å; A662-L665 PolarHBondContact O-N 2.99Å; A662-Y666 HydrophobicContact CB-CD2 4.29Å; A662-Y666 HydrophobicContact CB-CE2 4.3Å; A662-Y666 WeakPolarHBondContact O-CB 3.45Å; A662-Y666 WeakPolarHBondContact O-CD2 3.46Å; A662-Y666 PolarHBondContact O-N 2.88Å; A662-F677 HydrophobicContact CB-CE1 4.35Å; A662-F677 HydrophobicContact CB-CE2 4.37Å; A662-F677 HydrophobicContact CB-CZ 3.89Å
663	V	83.1	Confident	82.6	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-44.7	173.5	173.4	0	0	0	0	110.8	G659 D660 A667 L674 F677 L678 A689 V692	G659-V663 WeakPolarHBondContact O-CG2 3.4Å; G659-V663 PolarHBondContact O-N 3.48Å; G659-V663 VanDerWaalsContact O-N 3.09Å; D660-V663 PolarHBondContact O-N 3.35Å; V663-A667 WeakPolarHBondContact O-CB 3.13Å; V663-A667 PolarHBondContact O-N 2.94Å; V663-L674 HydrophobicContact CG1-CD1 4.3Å; V663-F677 HydrophobicContact CG2-CD1 4.39Å; V663-F677 HydrophobicContact CG2-CE1 3.91Å; V663-L678 HydrophobicContact CG2-CD2 4.41Å; V663-A689 HydrophobicContact CG1-CB 4.46Å; V663-V692 HydrophobicContact CG1-CB 4.43Å; V663-V692 HydrophobicContact CG1-CG1 4.27Å
664	L	86.3	Confident	83.1	Confident	72 Å²	72	55.3 Å²	55.3	38%	0.377	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-47.5	177.4	-174.5	64.7	0	0	0	112.1	D660 I661 A662 A667 E668	D660-L664 PolarHBondContact O-N 2.83Å; I661-L664 PolarHBondContact O-N 2.85Å; A662-L664 VanDerWaalsContact C-N 3.28Å; A662-L664 PolarHBondContact O-N 2.95Å; L664-A667 PolarHBondContact O-N 2.83Å; L664-E668 WeakPolarHBondContact CD1-OE1 3.37Å; L664-E668 WeakPolarHBondContact O-CG 3.36Å; L664-E668 PolarHBondContact O-N 2.91Å
665	L	85.2	Confident	83.3	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-41.6	-179.6	-73.6	173.6	0	0	0	112.2	M632 P639 Q642 L643 L646 I661 A662 E668 H669	M632-L665 HydrophobicContact CE-CD1 4.32Å; P639-L665 HydrophobicContact CB-CD2 4.36Å; Q642-L665 HydrophobicContact CB-CD1 4.2Å; L643-L665 HydrophobicContact CD2-CB 3.6Å; L643-L665 HydrophobicContact CD2-CD1 4.48Å; L643-L665 HydrophobicContact CG-CB 4.05Å; L646-L665 HydrophobicContact CD1-CD1 3.63Å; I661-L665 HydrophobicContact CG2-CD1 3.86Å; I661-L665 HydrophobicContact CG2-CG 4.19Å; I661-L665 WeakPolarHBondContact O-CB 3.44Å; I661-L665 WeakPolarHBondContact O-CG 3.31Å; I661-L665 PolarHBondContact O-N 3.36Å; A662-L665 PolarHBondContact O-N 2.99Å; L665-E668 PolarHBondContact O-N 3.23Å; L665-H669 WeakPolarHBondContact O-CB 3.12Å; L665-H669 PolarHBondContact O-N 3.07Å; L665-H669 PolarHBondContact O-ND1 3.44Å
666	Y	85.5	Confident	83.6	Confident	13 Å²	13	58.9 Å²	58.9	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-45.3	173.1	-81.7	-61.8	0	0	0	110.9	L643 E647 A662 E668 N670 R671 R673 F677	L643-Y666 HydrophobicContact CD2-CD1 4.15Å; L643-Y666 HydrophobicContact CD2-CD2 4.48Å; L643-Y666 HydrophobicContact CD2-CE1 4.14Å; L643-Y666 HydrophobicContact CD2-CE2 4.48Å; L643-Y666 HydrophobicContact CD2-CG 4.3Å; E647-Y666 WeakPolarHBondContact CG-OH 3.24Å; A662-Y666 HydrophobicContact CB-CD2 4.29Å; A662-Y666 HydrophobicContact CB-CE2 4.3Å; A662-Y666 WeakPolarHBondContact O-CB 3.45Å; A662-Y666 WeakPolarHBondContact O-CD2 3.46Å; A662-Y666 PolarHBondContact O-N 2.88Å; Y666-E668 VanDerWaalsContact C-N 3.27Å; Y666-E668 PolarHBondContact O-N 2.97Å; Y666-N670 HydrophobicContact CD1-CB 4.08Å; Y666-N670 CarbonylContact O-C 3.54Å; Y666-N670 WeakPolarHBondContact O-CA 3.4Å; Y666-N670 PolarHBondContact O-N 3.34Å; Y666-R671 PolarHBondContact O-N 3.37Å; Y666-R671 VanDerWaalsContact O-N 3.08Å; Y666-R673 HydrophobicContact CD1-CB 3.96Å; Y666-R673 HydrophobicContact CE1-CB 3.74Å; Y666-F677 HydrophobicContact CD2-CB 4.31Å; Y666-F677 HydrophobicContact CD2-CD1 4.25Å; Y666-F677 HydrophobicContact CD2-CD2 4.33Å; Y666-F677 HydrophobicContact CD2-CG 4.03Å; Y666-F677 HydrophobicContact CE2-CB 4.1Å; Y666-F677 HydrophobicContact CE2-CD1 4.35Å; Y666-F677 AromaticContact CE2-CD2 3.63Å; Y666-F677 HydrophobicContact CE2-CD2 3.63Å; Y666-F677 HydrophobicContact CE2-CE2 4.11Å; Y666-F677 AromaticContact CE2-CG 3.76Å; Y666-F677 HydrophobicContact CE2-CG 3.76Å
667	A	83.9	Confident	83.9	Confident	13 Å²	13	54.5 Å²	54.5	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-33.1	179.4	0	0	0	0	0	113.1	V663 L664 L674 V692 F698	V663-A667 WeakPolarHBondContact O-CB 3.13Å; V663-A667 PolarHBondContact O-N 2.94Å; L664-A667 PolarHBondContact O-N 2.83Å; A667-L674 HydrophobicContact CB-CD2 4.32Å; A667-V692 HydrophobicContact CB-CG1 4.03Å; A667-F698 HydrophobicContact CB-CE2 4.02Å
668	E	84	Confident	84.1	Confident	106 Å²	106	48 Å²	48	50%	0.495	24%	0.239	S	C	.	.	H	α-helix	trans	-87.8	-36	-179.6	-72.6	177	-176.8	0	0	114.1	L664 L665 Y666 R696	L664-E668 WeakPolarHBondContact CD1-OE1 3.37Å; L664-E668 WeakPolarHBondContact O-CG 3.36Å; L664-E668 PolarHBondContact O-N 2.91Å; L665-E668 PolarHBondContact O-N 3.23Å; Y666-E668 VanDerWaalsContact C-N 3.27Å; Y666-E668 PolarHBondContact O-N 2.97Å; E668-R696 IonicContact OE1-NH2 3.31Å; E668-R696 PolarHBondContact OE1-NH2 2.79Å
669	H	83.9	Confident	84	Confident	86 Å²	86	52.1 Å²	52.1	40%	0.398	26%	0.259	S	S	.	.	H	α-helix	trans	-119.9	-16.2	-168.1	-56.4	86.1	0	0	0	114	P639 L643 L665	P639-H669 WeakPolarHBondContact CB-NE2 3.48Å; P639-H669 WeakPolarHBondContact CG-NE2 3.32Å; L643-H669 HydrophobicContact CD1-CB 3.78Å; L665-H669 WeakPolarHBondContact O-CB 3.12Å; L665-H669 PolarHBondContact O-N 3.07Å; L665-H669 PolarHBondContact O-ND1 3.44Å
670	N	85.2	Confident	83.7	Confident	45 Å²	45	56.1 Å²	56.1	24%	0.241	28%	0.28	C	S	.	.			trans	-157.4	69.9	-179.1	-169.1	-1.7	0	0	0	113.9	L643 Y666 A672 R673	L643-N670 HydrophobicContact CD1-CB 4.25Å; Y666-N670 HydrophobicContact CD1-CB 4.08Å; Y666-N670 CarbonylContact O-C 3.54Å; Y666-N670 WeakPolarHBondContact O-CA 3.4Å; Y666-N670 PolarHBondContact O-N 3.34Å; N670-A672 PolarHBondContact O-N 3.24Å; N670-R673 WeakPolarHBondContact ND2-CD 3.36Å; N670-R673 PolarHBondContact O-N 3.02Å
671	R	83	Confident	83	Confident	125 Å²	125	59.1 Å²	59.1	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-36.8	179.4	179.7	-177.5	172	-171.3	0.8	113.1	Y666 R673 L674	Y666-R671 PolarHBondContact O-N 3.37Å; Y666-R671 VanDerWaalsContact O-N 3.08Å; R671-R673 PolarHBondContact O-N 2.72Å; R671-R673 VanDerWaalsContact O-N 3.15Å; R671-L674 VanDerWaalsContact O-CB 3.26Å; R671-L674 WeakPolarHBondContact O-CB 3.38Å; R671-L674 PolarHBondContact O-N 3.21Å
672	A	82.4	Confident	82.2	Confident	91 Å²	91	62.8 Å²	62.8	75%	0.752	30%	0.303	S	S	*	.	H	α-helix	trans	-59.5	-30.3	-174.4	0	0	0	0	0	113.4	N670	N670-A672 PolarHBondContact O-N 3.24Å
673	R	82.7	Confident	81.6	Confident	118 Å²	118	67.8 Å²	67.8	45%	0.445	33%	0.326	S	S	.	.	H	α-helix	trans	-91.6	-7.4	177.4	-70.2	-167.5	177.7	173.5	-7.9	114.1	E647 Y666 N670 R671 Q676 F677	E647-R673 IonicContact OE1-CZ 3.61Å; E647-R673 IonicContact OE1-NH1 3.43Å; E647-R673 PolarHBondContact OE1-NH1 3.29Å; E647-R673 IonicContact OE2-NH1 3.38Å; E647-R673 PolarHBondContact OE2-NH1 3.02Å; Y666-R673 HydrophobicContact CD1-CB 3.96Å; Y666-R673 HydrophobicContact CE1-CB 3.74Å; N670-R673 WeakPolarHBondContact ND2-CD 3.36Å; N670-R673 PolarHBondContact O-N 3.02Å; R671-R673 PolarHBondContact O-N 2.72Å; R671-R673 VanDerWaalsContact O-N 3.15Å; R673-Q676 PolarHBondContact O-N 2.85Å; R673-F677 WeakPolarHBondContact O-CB 3.04Å; R673-F677 PolarHBondContact O-N 3.17Å
674	L	87.5	Confident	81.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-49.7	-176.3	179.9	61.5	0	0	0	111.6	V663 A667 R671 Q676 F677 L678 F698 E701	V663-L674 HydrophobicContact CG1-CD1 4.3Å; A667-L674 HydrophobicContact CB-CD2 4.32Å; R671-L674 VanDerWaalsContact O-CB 3.26Å; R671-L674 WeakPolarHBondContact O-CB 3.38Å; R671-L674 PolarHBondContact O-N 3.21Å; L674-Q676 VanDerWaalsContact C-N 3.3Å; L674-Q676 PolarHBondContact O-N 3.19Å; L674-F677 WeakPolarHBondContact O-CB 3.4Å; L674-F677 PolarHBondContact O-N 3.22Å; L674-L678 HydrophobicContact CD1-CD1 4.4Å; L674-L678 HydrophobicContact CD1-CG 4.33Å; L674-L678 HydrophobicContact CG-CD1 4.23Å; L674-L678 WeakPolarHBondContact O-CG 3.42Å; L674-L678 PolarHBondContact O-N 3.38Å; L674-F698 HydrophobicContact CD2-CD2 3.83Å; L674-F698 HydrophobicContact CD2-CE2 3.95Å; L674-E701 HydrophobicContact CD2-CG 4.2Å; L674-E701 HydrophobicContact CG-CG 4.27Å
675	L	83.6	Confident	81.5	Confident	45 Å²	45	67.6 Å²	67.6	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-43.1	179.9	-177.5	64.4	0	0	0	111.7	L678 Q679 P700 E701 F704	L675-L678 PolarHBondContact O-N 2.81Å; L675-Q679 VanDerWaalsContact O-CG 3.32Å; L675-Q679 WeakPolarHBondContact O-CG 3.45Å; L675-Q679 PolarHBondContact O-N 3.27Å; L675-P700 HydrophobicContact CD2-CB 4.43Å; L675-E701 HydrophobicContact CB-CG 4.12Å; L675-E701 HydrophobicContact CD1-CG 4.12Å; L675-F704 HydrophobicContact CD1-CB 4.17Å
676	Q	82.6	Confident	81.2	Confident	112 Å²	112	69.3 Å²	69.3	52%	0.523	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-41.9	178	-172.7	161.9	28.1	0	0	111.7	R673 L674 L678 Q679 D680	R673-Q676 PolarHBondContact O-N 2.85Å; L674-Q676 VanDerWaalsContact C-N 3.3Å; L674-Q676 PolarHBondContact O-N 3.19Å; Q676-L678 VanDerWaalsContact C-N 3.32Å; Q676-L678 PolarHBondContact O-N 2.92Å; Q676-Q679 PolarHBondContact O-N 2.76Å; Q676-D680 WeakPolarHBondContact CG-OD2 3.36Å; Q676-D680 VanDerWaalsContact O-CB 3.25Å; Q676-D680 WeakPolarHBondContact O-CB 3.28Å; Q676-D680 VanDerWaalsContact O-CG 3.23Å; Q676-D680 PolarHBondContact O-N 2.83Å
677	F	84.9	Confident	81.1	Confident	19 Å²	19	74.5 Å²	74.5	8%	0.083	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-41	174.3	177.3	-97.3	0	0	0	112.5	F650 A662 V663 Y666 R673 L674 R681 Y684	F650-F677 AromaticContact CD2-CE2 3.99Å; F650-F677 HydrophobicContact CD2-CE2 3.99Å; F650-F677 AromaticContact CE2-CE2 3.93Å; F650-F677 HydrophobicContact CE2-CE2 3.93Å; F650-F677 HydrophobicContact CE2-CZ 4.34Å; F650-F677 HydrophobicContact CZ-CE2 4.43Å; F650-F677 HydrophobicContact CZ-CZ 4.48Å; A662-F677 HydrophobicContact CB-CE1 4.35Å; A662-F677 HydrophobicContact CB-CE2 4.37Å; A662-F677 HydrophobicContact CB-CZ 3.89Å; V663-F677 HydrophobicContact CG2-CD1 4.39Å; V663-F677 HydrophobicContact CG2-CE1 3.91Å; Y666-F677 HydrophobicContact CD2-CB 4.31Å; Y666-F677 HydrophobicContact CD2-CD1 4.25Å; Y666-F677 HydrophobicContact CD2-CD2 4.33Å; Y666-F677 HydrophobicContact CD2-CG 4.03Å; Y666-F677 HydrophobicContact CE2-CB 4.1Å; Y666-F677 HydrophobicContact CE2-CD1 4.35Å; Y666-F677 AromaticContact CE2-CD2 3.63Å; Y666-F677 HydrophobicContact CE2-CD2 3.63Å; Y666-F677 HydrophobicContact CE2-CE2 4.11Å; Y666-F677 AromaticContact CE2-CG 3.76Å; Y666-F677 HydrophobicContact CE2-CG 3.76Å; R673-F677 WeakPolarHBondContact O-CB 3.04Å; R673-F677 PolarHBondContact O-N 3.17Å; L674-F677 WeakPolarHBondContact O-CB 3.4Å; L674-F677 PolarHBondContact O-N 3.22Å; F677-R681 PolarHBondContact O-N 2.87Å; F677-Y684 HydrophobicContact CE1-CD1 4.49Å
678	L	84.4	Confident	81	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-67.2	-37.6	176.8	-65.6	174.6	0	0	0	112.2	V663 L674 L675 Q676 Y684 A689 E701 F704 L705	V663-L678 HydrophobicContact CG2-CD2 4.41Å; L674-L678 HydrophobicContact CD1-CD1 4.4Å; L674-L678 HydrophobicContact CD1-CG 4.33Å; L674-L678 HydrophobicContact CG-CD1 4.23Å; L674-L678 WeakPolarHBondContact O-CG 3.42Å; L674-L678 PolarHBondContact O-N 3.38Å; L675-L678 PolarHBondContact O-N 2.81Å; Q676-L678 VanDerWaalsContact C-N 3.32Å; Q676-L678 PolarHBondContact O-N 2.92Å; L678-Y684 HydrophobicContact CB-CE1 4.44Å; L678-Y684 HydrophobicContact CD2-CD1 4.07Å; L678-Y684 HydrophobicContact CD2-CD2 4.2Å; L678-Y684 HydrophobicContact CD2-CE1 3.77Å; L678-Y684 HydrophobicContact CD2-CE2 3.92Å; L678-Y684 HydrophobicContact CD2-CG 4.29Å; L678-Y684 PolarHBondContact O-OH 2.89Å; L678-A689 HydrophobicContact CD2-CB 4.26Å; L678-E701 HydrophobicContact CD1-CB 3.92Å; L678-E701 HydrophobicContact CD1-CG 4.12Å; L678-F704 HydrophobicContact CB-CD1 4.03Å; L678-F704 HydrophobicContact CB-CE1 3.99Å; L678-F704 VanDerWaalsContact O-CE1 3.24Å; L678-F704 WeakPolarHBondContact O-CE1 3.36Å; L678-L705 HydrophobicContact CD1-CD1 4.27Å; L678-L705 HydrophobicContact CD1-CG 4.34Å; L678-L705 HydrophobicContact CD2-CD2 4.33Å
679	Q	82.5	Confident	81	Confident	103 Å²	103	73.9 Å²	73.9	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-70.1	-43.4	178	-75.2	174.8	-16.6	0	0	112.5	L675 Q676 R681 F704	L675-Q679 VanDerWaalsContact O-CG 3.32Å; L675-Q679 WeakPolarHBondContact O-CG 3.45Å; L675-Q679 PolarHBondContact O-N 3.27Å; Q676-Q679 PolarHBondContact O-N 2.76Å; Q679-R681 PolarHBondContact O-N 3.41Å; Q679-F704 HydrophobicContact CB-CE2 4.44Å; Q679-F704 HydrophobicContact CB-CZ 4.26Å; Q679-F704 HydrophobicContact CG-CD2 3.94Å; Q679-F704 HydrophobicContact CG-CE1 4.26Å; Q679-F704 HydrophobicContact CG-CE2 3.64Å; Q679-F704 HydrophobicContact CG-CG 4.38Å; Q679-F704 HydrophobicContact CG-CZ 3.83Å
680	D	75.4	Confident	81	Confident	85 Å²	85	70.9 Å²	70.9	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-77	-19.1	-170.5	-77.2	-12.1	0	0	0	113.7	Q676	Q676-D680 WeakPolarHBondContact CG-OD2 3.36Å; Q676-D680 VanDerWaalsContact O-CB 3.25Å; Q676-D680 WeakPolarHBondContact O-CB 3.28Å; Q676-D680 VanDerWaalsContact O-CG 3.23Å; Q676-D680 PolarHBondContact O-N 2.83Å
681	R	68.1	Low	81	Confident	113 Å²	113	73.8 Å²	73.8	43%	0.426	36%	0.356	S	S	.	.			trans	-138	157.1	-164.3	-57.5	-66	177.7	-99.2	-2.1	113.2	F677 Q679 Y684 K708	F677-R681 PolarHBondContact O-N 2.87Å; Q679-R681 PolarHBondContact O-N 3.41Å; R681-Y684 VanDerWaalsContact O-CE1 3.22Å; R681-Y684 WeakPolarHBondContact O-CE1 3.48Å; R681-K708 PolarHBondContact O-NZ 3.29Å
682	E	68	Low	81.2	Confident	154 Å²	154	69.1 Å²	69.1	72%	0.72	34%	0.341	S	S	*	.			trans	-116.7	-7.5	-176.9	-62.7	-172.3	159.2	0	0	114.4	Y684	E682-Y684 VanDerWaalsContact C-N 3.33Å; E682-Y684 PolarHBondContact O-N 2.82Å; E682-Y684 VanDerWaalsContact O-N 3.14Å
683	H	72.5	Confident	81.4	Confident	106 Å²	106	64.8 Å²	64.8	49%	0.491	31%	0.305	S	S	.	.			trans	-93.2	53.9	-172.8	-52.5	121.3	0	0	0	112.9	E656 G659	E656-H683 HydrophobicContact CB-CB 4.18Å; E656-H683 HydrophobicContact CG-CB 4.1Å; E656-H683 IonicContact OE1-CE1 2.71Å; E656-H683 PolarHBondContact OE1-CE1 3.42Å; E656-H683 IonicContact OE1-ND1 3.96Å; E656-H683 IonicContact OE1-NE2 3.98Å; G659-H683 WeakPolarHBondContact CA-O 3.35Å
684	Y	81.8	Confident	81.4	Confident	17 Å²	17	64.5 Å²	64.5	7%	0.067	31%	0.305	C	S	.	.	S	Bend	trans	-133.7	149.7	167.9	58.3	-97.7	0	0	0	109.2	F677 L678 R681 E682 L686 A689 L705 K708	F677-Y684 HydrophobicContact CE1-CD1 4.49Å; L678-Y684 HydrophobicContact CB-CE1 4.44Å; L678-Y684 HydrophobicContact CD2-CD1 4.07Å; L678-Y684 HydrophobicContact CD2-CD2 4.2Å; L678-Y684 HydrophobicContact CD2-CE1 3.77Å; L678-Y684 HydrophobicContact CD2-CE2 3.92Å; L678-Y684 HydrophobicContact CD2-CG 4.29Å; L678-Y684 PolarHBondContact O-OH 2.89Å; R681-Y684 VanDerWaalsContact O-CE1 3.22Å; R681-Y684 WeakPolarHBondContact O-CE1 3.48Å; E682-Y684 VanDerWaalsContact C-N 3.33Å; E682-Y684 PolarHBondContact O-N 2.82Å; E682-Y684 VanDerWaalsContact O-N 3.14Å; Y684-L686 HydrophobicContact CE2-CD1 4.07Å; Y684-L686 HydrophobicContact CE2-CG 4.37Å; Y684-L686 PolarHBondContact O-N 3.21Å; Y684-L686 VanDerWaalsContact O-N 3.15Å; Y684-A689 HydrophobicContact CD2-CB 3.64Å; Y684-A689 HydrophobicContact CE2-CB 3.98Å; Y684-L705 HydrophobicContact CE2-CD2 3.55Å; Y684-K708 PolarHBondContact OH-NZ 3.43Å
685	T	83.5	Confident	81.3	Confident	54 Å²	54	70.8 Å²	70.8	33%	0.331	33%	0.334	S	S	.	.			trans	-71.7	113.4	175.7	-47.2	0	0	0	0	108.7	D660 D687 K688 A689	D660-T685 PolarHBondContact OD1-N 3.5Å; D660-T685 PolarHBondContact OD1-OG1 2.9Å; D660-T685 VanDerWaalsContact OD1-OG1 3.06Å; D660-T685 PolarHBondContact OD2-OG1 2.89Å; T685-D687 PolarHBondContact O-N 3.39Å; T685-K688 HydrophobicContact CG2-CD 4.33Å; T685-K688 HydrophobicContact CG2-CG 4.03Å; T685-K688 PolarHBondContact O-N 2.85Å; T685-K688 VanDerWaalsContact O-N 3.12Å; T685-A689 PolarHBondContact O-N 3.22Å
686	L	79.9	Confident	81.4	Confident	50 Å²	50	72.7 Å²	72.7	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-54.6	-41.4	-175	-140	107.2	0	0	0	111.8	Y684 A689 L690 L705 K708 S709	Y684-L686 HydrophobicContact CE2-CD1 4.07Å; Y684-L686 HydrophobicContact CE2-CG 4.37Å; Y684-L686 PolarHBondContact O-N 3.21Å; Y684-L686 VanDerWaalsContact O-N 3.15Å; L686-A689 PolarHBondContact O-N 3.24Å; L686-L690 VanDerWaalsContact O-CB 3.29Å; L686-L690 WeakPolarHBondContact O-CB 3.49Å; L686-L690 PolarHBondContact O-N 3.48Å; L686-L705 HydrophobicContact CG-CD2 4.32Å; L686-K708 HydrophobicContact CD1-CD 4.07Å; L686-K708 HydrophobicContact CD1-CG 4.18Å; L686-S709 VanDerWaalsContact CD2-CB 3.5Å
687	D	83.1	Confident	81.3	Confident	122 Å²	122	74.9 Å²	74.9	65%	0.652	35%	0.348	S	S	*	.	H	α-helix	trans	-65.1	-43	179.4	-61.2	-44.9	0	0	0	112.9	T685 L690 E691	T685-D687 PolarHBondContact O-N 3.39Å; D687-L690 PolarHBondContact O-N 2.86Å; D687-E691 WeakPolarHBondContact O-CB 3.39Å; D687-E691 PolarHBondContact O-N 3.19Å
688	K	82.9	Confident	81.5	Confident	106 Å²	106	74.9 Å²	74.9	46%	0.461	35%	0.348	S	S	.	.	H	α-helix	trans	-69.2	-40.1	178	-63.9	-178	-170.4	170.1	0	111.3	D660 T685 L690 E691 V692	D660-K688 WeakPolarHBondContact OD2-CD 3.39Å; D660-K688 IonicContact OD2-NZ 3.98Å; D660-K688 PolarHBondContact OD2-NZ 2.85Å; T685-K688 HydrophobicContact CG2-CD 4.33Å; T685-K688 HydrophobicContact CG2-CG 4.03Å; T685-K688 PolarHBondContact O-N 2.85Å; T685-K688 VanDerWaalsContact O-N 3.12Å; K688-L690 VanDerWaalsContact C-N 3.31Å; K688-E691 PolarHBondContact O-N 3.43Å; K688-V692 WeakPolarHBondContact O-CB 3.26Å; K688-V692 VanDerWaalsContact O-CG2 3.29Å; K688-V692 WeakPolarHBondContact O-CG2 3.26Å; K688-V692 PolarHBondContact O-N 2.75Å
689	A	83.7	Confident	81.4	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-42.2	175	0	0	0	0	0	110.8	V663 L678 Y684 T685 L686 V692 C693 L705	V663-A689 HydrophobicContact CG1-CB 4.46Å; L678-A689 HydrophobicContact CD2-CB 4.26Å; Y684-A689 HydrophobicContact CD2-CB 3.64Å; Y684-A689 HydrophobicContact CE2-CB 3.98Å; T685-A689 PolarHBondContact O-N 3.22Å; L686-A689 PolarHBondContact O-N 3.24Å; A689-V692 PolarHBondContact O-N 2.8Å; A689-C693 WeakPolarHBondContact O-CB 3.33Å; A689-C693 PolarHBondContact O-N 3.24Å; A689-C693 PolarHBondContact O-SG 2.79Å; A689-L705 HydrophobicContact CB-CD1 3.88Å; A689-L705 HydrophobicContact CB-CD2 4.19Å
690	L	83	Confident	81.4	Confident	22 Å²	22	73.8 Å²	73.8	12%	0.115	35%	0.349	C	S	.	.	H	α-helix	trans	-65.5	-42.3	176.4	-167.3	80	0	0	0	111.2	L686 D687 K688 C693 R694 T702 L705 L706	L686-L690 VanDerWaalsContact O-CB 3.29Å; L686-L690 WeakPolarHBondContact O-CB 3.49Å; L686-L690 PolarHBondContact O-N 3.48Å; D687-L690 PolarHBondContact O-N 2.86Å; K688-L690 VanDerWaalsContact C-N 3.31Å; L690-C693 PolarHBondContact O-N 3.43Å; L690-R694 HydrophobicContact CG-CG 4.35Å; L690-R694 VanDerWaalsContact O-CB 3.24Å; L690-R694 WeakPolarHBondContact O-CB 3.25Å; L690-R694 VanDerWaalsContact O-CG 3.31Å; L690-R694 WeakPolarHBondContact O-CG 3.14Å; L690-R694 PolarHBondContact O-N 3.38Å; L690-T702 HydrophobicContact CD1-CG2 4.14Å; L690-L705 HydrophobicContact CB-CD1 4.35Å; L690-L705 HydrophobicContact CD1-CB 3.69Å; L690-L705 HydrophobicContact CD1-CD1 4.31Å; L690-L706 HydrophobicContact CD1-CD2 4.25Å; L690-L706 HydrophobicContact CD1-CG 4.21Å
691	E	86.1	Confident	81.9	Confident	107 Å²	107	70.2 Å²	70.2	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-49.3	175.9	-176.1	-179.4	-175.9	0	0	111.2	D687 K688 C693 R694 Q695	D687-E691 WeakPolarHBondContact O-CB 3.39Å; D687-E691 PolarHBondContact O-N 3.19Å; K688-E691 PolarHBondContact O-N 3.43Å; E691-C693 PolarHBondContact O-N 3.25Å; E691-R694 PolarHBondContact O-N 3.31Å; E691-Q695 HydrophobicContact CG-CG 4.41Å; E691-Q695 WeakPolarHBondContact O-CB 3.32Å; E691-Q695 VanDerWaalsContact O-CG 3.28Å; E691-Q695 WeakPolarHBondContact O-CG 3.25Å; E691-Q695 PolarHBondContact O-N 3.23Å; E691-Q695 PolarHBondContact OE1-NE2 2.89Å
692	V	86.3	Confident	82.7	Confident	26 Å²	26	65.5 Å²	65.5	16%	0.158	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-43.3	178	169.8	0	0	0	0	111.5	V663 A667 K688 A689 R696	V663-V692 HydrophobicContact CG1-CB 4.43Å; V663-V692 HydrophobicContact CG1-CG1 4.27Å; A667-V692 HydrophobicContact CB-CG1 4.03Å; K688-V692 WeakPolarHBondContact O-CB 3.26Å; K688-V692 VanDerWaalsContact O-CG2 3.29Å; K688-V692 WeakPolarHBondContact O-CG2 3.26Å; K688-V692 PolarHBondContact O-N 2.75Å; A689-V692 PolarHBondContact O-N 2.8Å; V692-R696 WeakPolarHBondContact O-CB 3.4Å; V692-R696 WeakPolarHBondContact O-CG 3.36Å; V692-R696 PolarHBondContact O-N 2.97Å
693	C	86.3	Confident	83.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-40.8	-180	-66.1	0	0	0	0	111.9	A689 L690 E691 R696 H697 F698 E701 L705	A689-C693 WeakPolarHBondContact O-CB 3.33Å; A689-C693 PolarHBondContact O-N 3.24Å; A689-C693 PolarHBondContact O-SG 2.79Å; L690-C693 PolarHBondContact O-N 3.43Å; E691-C693 PolarHBondContact O-N 3.25Å; C693-R696 PolarHBondContact O-N 3.38Å; C693-H697 PolarHBondContact O-N 3.26Å; C693-H697 VanDerWaalsContact O-N 3.13Å; C693-F698 HydrophobicContact CB-CB 4.04Å; C693-F698 PolarHBondContact O-N 2.78Å; C693-E701 HydrophobicContact CB-CB 4.37Å; C693-L705 HydrophobicContact CB-CD1 4.35Å
694	R	84.3	Confident	84	Confident	113 Å²	113	56.6 Å²	56.6	43%	0.426	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-46.4	177.5	-78.6	-179.8	168.1	177.6	-6.7	112.1	L690 E691 R696 H697 T702 E714	L690-R694 HydrophobicContact CG-CG 4.35Å; L690-R694 VanDerWaalsContact O-CB 3.24Å; L690-R694 WeakPolarHBondContact O-CB 3.25Å; L690-R694 VanDerWaalsContact O-CG 3.31Å; L690-R694 WeakPolarHBondContact O-CG 3.14Å; L690-R694 PolarHBondContact O-N 3.38Å; E691-R694 PolarHBondContact O-N 3.31Å; R694-R696 PolarHBondContact O-N 3.04Å; R694-H697 PolarHBondContact O-N 2.86Å; R694-T702 HydrophobicContact CG-CG2 4.02Å; R694-E714 IonicContact NH2-OE1 2.85Å; R694-E714 PolarHBondContact NH2-OE1 2.84Å; R694-E714 IonicContact NH2-OE2 2.87Å
695	Q	85.2	Confident	84.1	Confident	131 Å²	131	55.8 Å²	55.8	61%	0.612	27%	0.269	S	S	*	.	H	α-helix	trans	-60.5	-28.6	178.6	-76.1	178.4	5.9	0	0	112.7	E691	E691-Q695 HydrophobicContact CG-CG 4.41Å; E691-Q695 WeakPolarHBondContact O-CB 3.32Å; E691-Q695 VanDerWaalsContact O-CG 3.28Å; E691-Q695 WeakPolarHBondContact O-CG 3.25Å; E691-Q695 PolarHBondContact O-N 3.23Å; E691-Q695 PolarHBondContact OE1-NE2 2.89Å
696	R	84.4	Confident	84.1	Confident	85 Å²	85	53.2 Å²	53.2	32%	0.321	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	7.4	-178.2	-64.5	176.9	170.2	144.4	-6.4	113.9	E668 V692 C693 R694 F698	E668-R696 IonicContact OE1-NH2 3.31Å; E668-R696 PolarHBondContact OE1-NH2 2.79Å; V692-R696 WeakPolarHBondContact O-CB 3.4Å; V692-R696 WeakPolarHBondContact O-CG 3.36Å; V692-R696 PolarHBondContact O-N 2.97Å; C693-R696 PolarHBondContact O-N 3.38Å; R694-R696 PolarHBondContact O-N 3.04Å; R696-F698 VanDerWaalsContact C-N 3.31Å; R696-F698 HydrophobicContact CB-CD1 3.9Å; R696-F698 HydrophobicContact CB-CD2 4.11Å; R696-F698 HydrophobicContact CB-CE1 3.61Å; R696-F698 HydrophobicContact CB-CE2 3.85Å; R696-F698 HydrophobicContact CB-CG 4.14Å; R696-F698 HydrophobicContact CB-CZ 3.59Å; R696-F698 HydrophobicContact CG-CE2 4.48Å; R696-F698 HydrophobicContact CG-CZ 4.29Å; R696-F698 VanDerWaalsContact O-CD1 3.22Å; R696-F698 WeakPolarHBondContact O-CD1 3.32Å; R696-F698 WeakPolarHBondContact O-CE1 3.45Å; R696-F698 PolarHBondContact O-N 2.9Å
697	H	82	Confident	84.1	Confident	159 Å²	159	51.4 Å²	51.4	74%	0.736	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	40.4	-178.4	-54.4	-67.3	0	0	0	114	C693 R694 T699	C693-H697 PolarHBondContact O-N 3.26Å; C693-H697 VanDerWaalsContact O-N 3.13Å; R694-H697 PolarHBondContact O-N 2.86Å; H697-T699 PolarHBondContact O-N 2.92Å; H697-T699 VanDerWaalsContact O-N 3.16Å
698	F	87.2	Confident	83.9	Confident	19 Å²	19	49.5 Å²	49.5	8%	0.083	23%	0.232	C	C	.	.			trans	-84.3	84.8	177.8	-66.7	-10.9	0	0	0	110.4	A667 L674 C693 R696 E701 T702	A667-F698 HydrophobicContact CB-CE2 4.02Å; L674-F698 HydrophobicContact CD2-CD2 3.83Å; L674-F698 HydrophobicContact CD2-CE2 3.95Å; C693-F698 HydrophobicContact CB-CB 4.04Å; C693-F698 PolarHBondContact O-N 2.78Å; R696-F698 VanDerWaalsContact C-N 3.31Å; R696-F698 HydrophobicContact CB-CD1 3.9Å; R696-F698 HydrophobicContact CB-CD2 4.11Å; R696-F698 HydrophobicContact CB-CE1 3.61Å; R696-F698 HydrophobicContact CB-CE2 3.85Å; R696-F698 HydrophobicContact CB-CG 4.14Å; R696-F698 HydrophobicContact CB-CZ 3.59Å; R696-F698 HydrophobicContact CG-CE2 4.48Å; R696-F698 HydrophobicContact CG-CZ 4.29Å; R696-F698 VanDerWaalsContact O-CD1 3.22Å; R696-F698 WeakPolarHBondContact O-CD1 3.32Å; R696-F698 WeakPolarHBondContact O-CE1 3.45Å; R696-F698 PolarHBondContact O-N 2.9Å; F698-E701 HydrophobicContact CB-CB 4.23Å; F698-E701 HydrophobicContact CB-CG 4.49Å; F698-E701 WeakPolarHBondContact CB-OE2 3.27Å; F698-T702 VanDerWaalsContact O-CB 3.3Å; F698-T702 WeakPolarHBondContact O-CB 3.28Å; F698-T702 PolarHBondContact O-N 3.01Å; F698-T702 PolarHBondContact O-OG1 3.08Å
699	T	83.3	Confident	83.9	Confident	46 Å²	46	46.6 Å²	46.6	28%	0.282	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-46.8	-169.8	43.8	0	0	0	0	114.6	H697 E701 T702 V703 E722	H697-T699 PolarHBondContact O-N 2.92Å; H697-T699 VanDerWaalsContact O-N 3.16Å; T699-E701 PolarHBondContact O-N 3.35Å; T699-T702 PolarHBondContact O-N 3.39Å; T699-V703 WeakPolarHBondContact O-CG2 3.43Å; T699-V703 PolarHBondContact O-N 3Å; T699-E722 WeakPolarHBondContact CG2-OE2 3.15Å
700	P	81.5	Confident	83.6	Confident	34 Å²	34	48.8 Å²	48.8	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-43.4	177.3	-21.9	33.1	0	0	0	113.5	L675 T702 V703 F704	L675-P700 HydrophobicContact CD2-CB 4.43Å; P700-T702 VanDerWaalsContact C-N 3.35Å; P700-V703 PolarHBondContact O-N 3.36Å; P700-F704 PolarHBondContact O-N 3.16Å; P700-F704 VanDerWaalsContact O-N 3.08Å
701	E	85.9	Confident	83.6	Confident	9 Å²	9	51.8 Å²	51.8	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-39.5	178.9	-62.3	84.5	166.7	0	0	110.9	L674 L675 L678 C693 F698 T699 F704 L705	L674-E701 HydrophobicContact CD2-CG 4.2Å; L674-E701 HydrophobicContact CG-CG 4.27Å; L675-E701 HydrophobicContact CB-CG 4.12Å; L675-E701 HydrophobicContact CD1-CG 4.12Å; L678-E701 HydrophobicContact CD1-CB 3.92Å; L678-E701 HydrophobicContact CD1-CG 4.12Å; C693-E701 HydrophobicContact CB-CB 4.37Å; F698-E701 HydrophobicContact CB-CB 4.23Å; F698-E701 HydrophobicContact CB-CG 4.49Å; F698-E701 WeakPolarHBondContact CB-OE2 3.27Å; T699-E701 PolarHBondContact O-N 3.35Å; E701-F704 PolarHBondContact O-N 2.74Å; E701-L705 WeakPolarHBondContact O-CB 3.46Å; E701-L705 VanDerWaalsContact O-CG 3.28Å; E701-L705 WeakPolarHBondContact O-CG 3.44Å; E701-L705 PolarHBondContact O-N 2.81Å
702	T	85.1	Confident	83.5	Confident	15 Å²	15	51.6 Å²	51.6	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-43.1	175.3	-56	0	0	0	0	111.6	L690 R694 F698 T699 P700 F704 L705 L706	L690-T702 HydrophobicContact CD1-CG2 4.14Å; R694-T702 HydrophobicContact CG-CG2 4.02Å; F698-T702 VanDerWaalsContact O-CB 3.3Å; F698-T702 WeakPolarHBondContact O-CB 3.28Å; F698-T702 PolarHBondContact O-N 3.01Å; F698-T702 PolarHBondContact O-OG1 3.08Å; T699-T702 PolarHBondContact O-N 3.39Å; P700-T702 VanDerWaalsContact C-N 3.35Å; T702-F704 PolarHBondContact O-N 2.89Å; T702-L705 PolarHBondContact O-N 3.19Å; T702-L706 HydrophobicContact CG2-CD1 4.01Å; T702-L706 HydrophobicContact CG2-CG 4.34Å; T702-L706 WeakPolarHBondContact O-CB 3.46Å; T702-L706 VanDerWaalsContact O-CG 3.29Å; T702-L706 WeakPolarHBondContact O-CG 3.49Å; T702-L706 PolarHBondContact O-N 3.25Å
703	V	84	Confident	83.4	Confident	15 Å²	15	56.6 Å²	56.6	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-45.8	176.1	168.2	0	0	0	0	111.3	T699 P700 L706 G707 V718 I719 M723	T699-V703 WeakPolarHBondContact O-CG2 3.43Å; T699-V703 PolarHBondContact O-N 3Å; P700-V703 PolarHBondContact O-N 3.36Å; V703-L706 PolarHBondContact O-N 3.13Å; V703-G707 PolarHBondContact O-N 2.84Å; V703-V718 HydrophobicContact CG2-CB 4.25Å; V703-V718 HydrophobicContact CG2-CG1 3.66Å; V703-I719 HydrophobicContact CB-CG1 4.4Å; V703-I719 HydrophobicContact CG1-CD1 3.63Å; V703-I719 HydrophobicContact CG1-CG1 3.59Å; V703-I719 HydrophobicContact CG2-CG1 3.85Å; V703-M723 HydrophobicContact CG2-SD 3.96Å
704	F	84.6	Confident	83.2	Confident	57 Å²	57	60.5 Å²	60.5	25%	0.25	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-46.5	177.3	176	-98.9	0	0	0	112	L675 L678 Q679 P700 E701 T702 L706 G707 K708	L675-F704 HydrophobicContact CD1-CB 4.17Å; L678-F704 HydrophobicContact CB-CD1 4.03Å; L678-F704 HydrophobicContact CB-CE1 3.99Å; L678-F704 VanDerWaalsContact O-CE1 3.24Å; L678-F704 WeakPolarHBondContact O-CE1 3.36Å; Q679-F704 HydrophobicContact CB-CE2 4.44Å; Q679-F704 HydrophobicContact CB-CZ 4.26Å; Q679-F704 HydrophobicContact CG-CD2 3.94Å; Q679-F704 HydrophobicContact CG-CE1 4.26Å; Q679-F704 HydrophobicContact CG-CE2 3.64Å; Q679-F704 HydrophobicContact CG-CG 4.38Å; Q679-F704 HydrophobicContact CG-CZ 3.83Å; P700-F704 PolarHBondContact O-N 3.16Å; P700-F704 VanDerWaalsContact O-N 3.08Å; E701-F704 PolarHBondContact O-N 2.74Å; T702-F704 PolarHBondContact O-N 2.89Å; F704-L706 PolarHBondContact O-N 2.98Å; F704-G707 PolarHBondContact O-N 2.78Å; F704-K708 HydrophobicContact CE1-CD 4.2Å; F704-K708 HydrophobicContact CZ-CD 4.26Å; F704-K708 PolarHBondContact O-N 2.85Å
705	L	85	Confident	83.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-39.1	178.1	-70.5	172.5	0	0	0	112.2	L678 Y684 L686 A689 L690 C693 E701 T702 K708 S709	L678-L705 HydrophobicContact CD1-CD1 4.27Å; L678-L705 HydrophobicContact CD1-CG 4.34Å; L678-L705 HydrophobicContact CD2-CD2 4.33Å; Y684-L705 HydrophobicContact CE2-CD2 3.55Å; L686-L705 HydrophobicContact CG-CD2 4.32Å; A689-L705 HydrophobicContact CB-CD1 3.88Å; A689-L705 HydrophobicContact CB-CD2 4.19Å; L690-L705 HydrophobicContact CB-CD1 4.35Å; L690-L705 HydrophobicContact CD1-CB 3.69Å; L690-L705 HydrophobicContact CD1-CD1 4.31Å; C693-L705 HydrophobicContact CB-CD1 4.35Å; E701-L705 WeakPolarHBondContact O-CB 3.46Å; E701-L705 VanDerWaalsContact O-CG 3.28Å; E701-L705 WeakPolarHBondContact O-CG 3.44Å; E701-L705 PolarHBondContact O-N 2.81Å; T702-L705 PolarHBondContact O-N 3.19Å; L705-K708 PolarHBondContact O-N 3.12Å; L705-S709 WeakPolarHBondContact O-CB 3.43Å; L705-S709 PolarHBondContact O-N 3.18Å; L705-S709 PolarHBondContact O-OG 2.99Å
706	L	83.4	Confident	83.3	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-43.4	175.3	-74.4	172.4	0	0	0	111.8	L690 T702 V703 F704 K708 S709 G710 N711 E714 A715 V718	L690-L706 HydrophobicContact CD1-CD2 4.25Å; L690-L706 HydrophobicContact CD1-CG 4.21Å; T702-L706 HydrophobicContact CG2-CD1 4.01Å; T702-L706 HydrophobicContact CG2-CG 4.34Å; T702-L706 WeakPolarHBondContact O-CB 3.46Å; T702-L706 VanDerWaalsContact O-CG 3.29Å; T702-L706 WeakPolarHBondContact O-CG 3.49Å; T702-L706 PolarHBondContact O-N 3.25Å; V703-L706 PolarHBondContact O-N 3.13Å; F704-L706 PolarHBondContact O-N 2.98Å; L706-K708 PolarHBondContact O-N 2.86Å; L706-S709 WeakPolarHBondContact CA-OG 3.26Å; L706-S709 PolarHBondContact O-N 3.1Å; L706-S709 PolarHBondContact O-OG 2.88Å; L706-G710 PolarHBondContact O-N 2.87Å; L706-N711 HydrophobicContact CD2-CB 4.16Å; L706-N711 PolarHBondContact O-N 3.12Å; L706-N711 VanDerWaalsContact O-N 3.17Å; L706-E714 HydrophobicContact CD1-CG 4.31Å; L706-A715 HydrophobicContact CB-CB 3.76Å; L706-V718 HydrophobicContact CD1-CG2 4.11Å
707	G	79.3	Confident	83.3	Confident	12 Å²	12	51.5 Å²	51.5	12%	0.124	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-47.6	173.7	0	0	0	0	0	112	V703 F704 S709 G710	V703-G707 PolarHBondContact O-N 2.84Å; F704-G707 PolarHBondContact O-N 2.78Å; G707-S709 VanDerWaalsContact C-N 3.34Å; G707-S709 PolarHBondContact O-N 3.02Å; G707-G710 PolarHBondContact O-N 2.8Å
708	K	79.5	Confident	83.4	Confident	81 Å²	81	44.6 Å²	44.6	35%	0.352	23%	0.227	S	C	.	.	H	α-helix	trans	-66.3	-32.7	177.7	-163.8	171.5	-178.7	175.8	0	112.9	R681 Y684 L686 F704 L705 L706 G710	R681-K708 PolarHBondContact O-NZ 3.29Å; Y684-K708 PolarHBondContact OH-NZ 3.43Å; L686-K708 HydrophobicContact CD1-CD 4.07Å; L686-K708 HydrophobicContact CD1-CG 4.18Å; F704-K708 HydrophobicContact CE1-CD 4.2Å; F704-K708 HydrophobicContact CZ-CD 4.26Å; F704-K708 PolarHBondContact O-N 2.85Å; L705-K708 PolarHBondContact O-N 3.12Å; L706-K708 PolarHBondContact O-N 2.86Å; K708-G710 PolarHBondContact O-N 3.22Å
709	S	81.7	Confident	83.3	Confident	45 Å²	45	43.9 Å²	43.9	32%	0.315	22%	0.224	S	C	.	.	H	α-helix	trans	-71.4	-11	176.3	75.4	0	0	0	0	114.2	L686 L705 L706 G707 N711	L686-S709 VanDerWaalsContact CD2-CB 3.5Å; L705-S709 WeakPolarHBondContact O-CB 3.43Å; L705-S709 PolarHBondContact O-N 3.18Å; L705-S709 PolarHBondContact O-OG 2.99Å; L706-S709 WeakPolarHBondContact CA-OG 3.26Å; L706-S709 PolarHBondContact O-N 3.1Å; L706-S709 PolarHBondContact O-OG 2.88Å; G707-S709 VanDerWaalsContact C-N 3.34Å; G707-S709 PolarHBondContact O-N 3.02Å; S709-N711 VanDerWaalsContact C-N 3.34Å; S709-N711 PolarHBondContact OG-N 3.18Å; S709-N711 PolarHBondContact OG-ND2 3.25Å; S709-N711 VanDerWaalsContact OG-ND2 3.12Å
710	G	76.8	Confident	83.2	Confident	47 Å²	47	42 Å²	42	49%	0.485	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-5.7	-175.1	0	0	0	0	0	114.5	L706 G707 K708 R712	L706-G710 PolarHBondContact O-N 2.87Å; G707-G710 PolarHBondContact O-N 2.8Å; K708-G710 PolarHBondContact O-N 3.22Å; G710-R712 PolarHBondContact O-N 3.02Å
711	N	84.8	Confident	83.2	Confident	86 Å²	86	43.1 Å²	43.1	46%	0.46	22%	0.218	S	C	.	.			trans	-77.4	56.5	175.2	-68.1	-50.9	0	0	0	111.9	L706 S709 R713 E714 A715	L706-N711 HydrophobicContact CD2-CB 4.16Å; L706-N711 PolarHBondContact O-N 3.12Å; L706-N711 VanDerWaalsContact O-N 3.17Å; S709-N711 VanDerWaalsContact C-N 3.34Å; S709-N711 PolarHBondContact OG-N 3.18Å; S709-N711 PolarHBondContact OG-ND2 3.25Å; S709-N711 VanDerWaalsContact OG-ND2 3.12Å; N711-R713 PolarHBondContact O-N 3.02Å; N711-E714 HydrophobicContact CB-CB 4.22Å; N711-E714 PolarHBondContact O-N 3.3Å; N711-A715 PolarHBondContact O-N 3.23Å
712	R	82.8	Confident	82.9	Confident	102 Å²	102	48.4 Å²	48.4	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-40	-172.7	-61.6	172.3	-174.5	-179.7	-4.2	113.2	G710 E714 A715 L716 F732 L741	G710-R712 PolarHBondContact O-N 3.02Å; R712-E714 VanDerWaalsContact C-N 3.35Å; R712-E714 PolarHBondContact O-N 3.08Å; R712-A715 PolarHBondContact O-N 3.32Å; R712-L716 WeakPolarHBondContact O-CB 3.45Å; R712-L716 PolarHBondContact O-N 3.36Å; R712-F732 HydrophobicContact CB-CE1 4.23Å; R712-F732 HydrophobicContact CB-CZ 4.29Å; R712-L741 HydrophobicContact CB-CD1 4.25Å; R712-L741 HydrophobicContact CB-CD2 4.18Å
713	R	84.4	Confident	82.7	Confident	132 Å²	132	49.7 Å²	49.7	50%	0.498	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-41.2	174.8	-86.2	-174	150.2	115.4	-0.7	112.2	N711 K717 D740 L741 D744	N711-R713 PolarHBondContact O-N 3.02Å; R713-K717 WeakPolarHBondContact O-CB 3.34Å; R713-K717 PolarHBondContact O-N 3.49Å; R713-D740 IonicContact NH1-OD2 3.66Å; R713-D740 PolarHBondContact NH1-OD2 3.45Å; R713-D740 IonicContact NH2-OD2 2.69Å; R713-L741 HydrophobicContact CG-CD2 4.19Å; R713-D744 WeakPolarHBondContact CG-OD2 3.38Å; R713-D744 IonicContact CZ-OD1 3.69Å; R713-D744 IonicContact CZ-OD2 3.94Å; R713-D744 IonicContact NE-OD1 3.87Å; R713-D744 IonicContact NE-OD2 2.79Å; R713-D744 PolarHBondContact NE-OD2 3.25Å; R713-D744 IonicContact NH2-OD1 2.89Å; R713-D744 PolarHBondContact NH2-OD1 3.11Å; R713-D744 IonicContact NH2-OD2 3.18Å; R713-D744 PolarHBondContact NH2-OD2 3.31Å
714	E	83.3	Confident	82.4	Confident	82 Å²	82	55.2 Å²	55.2	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-68.3	-43.3	176	-165.5	-173.6	165.5	0	0	110.8	R694 L706 N711 R712 L716 K717 V718	R694-E714 IonicContact NH2-OE1 2.85Å; R694-E714 PolarHBondContact NH2-OE1 2.84Å; R694-E714 IonicContact NH2-OE2 2.87Å; L706-E714 HydrophobicContact CD1-CG 4.31Å; N711-E714 HydrophobicContact CB-CB 4.22Å; N711-E714 PolarHBondContact O-N 3.3Å; R712-E714 VanDerWaalsContact C-N 3.35Å; R712-E714 PolarHBondContact O-N 3.08Å; E714-L716 PolarHBondContact O-N 3.1Å; E714-K717 WeakPolarHBondContact O-CB 3.47Å; E714-K717 PolarHBondContact O-N 3.3Å; E714-V718 WeakPolarHBondContact O-CG2 3.46Å; E714-V718 PolarHBondContact O-N 2.91Å
715	A	85.1	Confident	82.3	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-49.2	175.1	0	0	0	0	0	111.7	L706 N711 R712 K717 V718 I719 F732	L706-A715 HydrophobicContact CB-CB 3.76Å; N711-A715 PolarHBondContact O-N 3.23Å; R712-A715 PolarHBondContact O-N 3.32Å; A715-K717 VanDerWaalsContact C-N 3.31Å; A715-K717 PolarHBondContact O-N 2.88Å; A715-V718 PolarHBondContact O-N 2.78Å; A715-V718 VanDerWaalsContact O-N 3.16Å; A715-I719 VanDerWaalsContact O-CG1 3.3Å; A715-I719 WeakPolarHBondContact O-CG1 3.41Å; A715-I719 PolarHBondContact O-N 3.23Å; A715-F732 HydrophobicContact CB-CE1 4.22Å; A715-F732 HydrophobicContact CB-CE2 3.97Å; A715-F732 HydrophobicContact CB-CZ 3.54Å
716	L	85.1	Confident	82.2	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-44.2	176	-179.1	62	0	0	0	111	R712 E714 V718 I719 I720 A729 F732 L741 D744	R712-L716 WeakPolarHBondContact O-CB 3.45Å; R712-L716 PolarHBondContact O-N 3.36Å; E714-L716 PolarHBondContact O-N 3.1Å; L716-V718 VanDerWaalsContact C-N 3.34Å; L716-V718 PolarHBondContact O-N 3.23Å; L716-I719 PolarHBondContact O-N 2.66Å; L716-I720 HydrophobicContact CD1-CD1 3.88Å; L716-I720 HydrophobicContact CD1-CG1 4.24Å; L716-I720 HydrophobicContact CD2-CD1 4.47Å; L716-I720 HydrophobicContact CG-CD1 3.78Å; L716-I720 HydrophobicContact CG-CG1 4.49Å; L716-I720 WeakPolarHBondContact O-CB 3.45Å; L716-I720 VanDerWaalsContact O-CG1 3.26Å; L716-I720 WeakPolarHBondContact O-CG1 3.38Å; L716-I720 PolarHBondContact O-N 3.46Å; L716-A729 HydrophobicContact CD1-CB 3.89Å; L716-F732 HydrophobicContact CB-CD1 4.33Å; L716-F732 HydrophobicContact CB-CE1 4.3Å; L716-F732 HydrophobicContact CD1-CD1 4.42Å; L716-L741 HydrophobicContact CD2-CB 4.23Å; L716-L741 HydrophobicContact CD2-CD2 4.01Å; L716-D744 HydrophobicContact CD2-CB 4.24Å
717	K	85	Confident	82.2	Confident	136 Å²	136	58.9 Å²	58.9	59%	0.591	30%	0.295	S	S	*	.	H	α-helix	trans	-60.7	-41.8	176.1	-170.3	176.7	-179	179.1	0	111.9	R713 E714 A715 I720 T721	R713-K717 WeakPolarHBondContact O-CB 3.34Å; R713-K717 PolarHBondContact O-N 3.49Å; E714-K717 WeakPolarHBondContact O-CB 3.47Å; E714-K717 PolarHBondContact O-N 3.3Å; A715-K717 VanDerWaalsContact C-N 3.31Å; A715-K717 PolarHBondContact O-N 2.88Å; K717-I720 PolarHBondContact O-N 2.83Å; K717-T721 HydrophobicContact CG-CG2 4.1Å; K717-T721 VanDerWaalsContact O-CB 3.29Å; K717-T721 WeakPolarHBondContact O-CB 3.43Å; K717-T721 WeakPolarHBondContact O-CG2 3.17Å; K717-T721 PolarHBondContact O-N 2.77Å; K717-T721 PolarHBondContact O-OG1 2.73Å
718	V	84.8	Confident	82.3	Confident	15 Å²	15	63.5 Å²	63.5	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-43.2	176	171.7	0	0	0	0	111	V703 L706 E714 A715 L716 I720 E722 M723	V703-V718 HydrophobicContact CG2-CB 4.25Å; V703-V718 HydrophobicContact CG2-CG1 3.66Å; L706-V718 HydrophobicContact CD1-CG2 4.11Å; E714-V718 WeakPolarHBondContact O-CG2 3.46Å; E714-V718 PolarHBondContact O-N 2.91Å; A715-V718 PolarHBondContact O-N 2.78Å; A715-V718 VanDerWaalsContact O-N 3.16Å; L716-V718 VanDerWaalsContact C-N 3.34Å; L716-V718 PolarHBondContact O-N 3.23Å; V718-I720 VanDerWaalsContact C-N 3.31Å; V718-I720 PolarHBondContact O-N 2.85Å; V718-E722 HydrophobicContact CG1-CB 4.25Å; V718-E722 HydrophobicContact CG1-CG 4.28Å; V718-E722 WeakPolarHBondContact O-CA 3.07Å; V718-E722 WeakPolarHBondContact O-CB 3.44Å; V718-E722 PolarHBondContact O-N 3.48Å; V718-M723 PolarHBondContact O-N 2.72Å
719	I	83.6	Confident	82.6	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	29%	0.292	C	S	.	.	I	π-helix	trans	-59.4	-45.8	176.2	-63.3	164.7	0	0	0	110.4	V703 A715 L716 M723 H724 D725 R728 A729 F732	V703-I719 HydrophobicContact CB-CG1 4.4Å; V703-I719 HydrophobicContact CG1-CD1 3.63Å; V703-I719 HydrophobicContact CG1-CG1 3.59Å; V703-I719 HydrophobicContact CG2-CG1 3.85Å; A715-I719 VanDerWaalsContact O-CG1 3.3Å; A715-I719 WeakPolarHBondContact O-CG1 3.41Å; A715-I719 PolarHBondContact O-N 3.23Å; L716-I719 PolarHBondContact O-N 2.66Å; I719-M723 HydrophobicContact CG1-SD 4.32Å; I719-M723 VanDerWaalsContact O-CB 3.32Å; I719-M723 WeakPolarHBondContact O-CB 3.2Å; I719-M723 PolarHBondContact O-N 3.33Å; I719-H724 PolarHBondContact O-N 2.87Å; I719-H724 VanDerWaalsContact O-N 3.1Å; I719-D725 WeakPolarHBondContact CG2-O 3.19Å; I719-R728 HydrophobicContact CG2-CB 4.05Å; I719-A729 HydrophobicContact CG2-CB 3.84Å; I719-F732 HydrophobicContact CD1-CB 3.75Å; I719-F732 HydrophobicContact CD1-CD1 4.31Å; I719-F732 HydrophobicContact CD1-CD2 3.82Å; I719-F732 HydrophobicContact CD1-CG 3.7Å
720	I	82.6	Confident	82.7	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.036	28%	0.28	C	S	.	.	I	π-helix	trans	-70.1	-49.2	-178.5	-67.4	171.5	0	0	0	111.1	L716 K717 V718 H724 A729 L745 Y748 F755	L716-I720 HydrophobicContact CD1-CD1 3.88Å; L716-I720 HydrophobicContact CD1-CG1 4.24Å; L716-I720 HydrophobicContact CD2-CD1 4.47Å; L716-I720 HydrophobicContact CG-CD1 3.78Å; L716-I720 HydrophobicContact CG-CG1 4.49Å; L716-I720 WeakPolarHBondContact O-CB 3.45Å; L716-I720 VanDerWaalsContact O-CG1 3.26Å; L716-I720 WeakPolarHBondContact O-CG1 3.38Å; L716-I720 PolarHBondContact O-N 3.46Å; K717-I720 PolarHBondContact O-N 2.83Å; V718-I720 VanDerWaalsContact C-N 3.31Å; V718-I720 PolarHBondContact O-N 2.85Å; I720-H724 WeakPolarHBondContact O-CA 3.11Å; I720-H724 PolarHBondContact O-N 2.79Å; I720-H724 PolarHBondContact O-ND1 2.81Å; I720-A729 HydrophobicContact CG1-CB 4.15Å; I720-L745 HydrophobicContact CD1-CD1 3.74Å; I720-L745 HydrophobicContact CG1-CD1 4.27Å; I720-Y748 HydrophobicContact CD1-CG 4.45Å; I720-Y748 HydrophobicContact CG2-CD1 3.38Å; I720-Y748 HydrophobicContact CG2-CD2 4Å; I720-Y748 HydrophobicContact CG2-CE1 3.06Å; I720-Y748 HydrophobicContact CG2-CE2 3.71Å; I720-Y748 HydrophobicContact CG2-CG 3.83Å; I720-F755 HydrophobicContact CG2-CE1 4.25Å
721	T	80.8	Confident	83	Confident	57 Å²	57	61.4 Å²	61.4	35%	0.35	28%	0.283	S	S	.	.	I	π-helix	trans	-88.5	-29	-169.7	59.4	0	0	0	0	114.9	K717 H724	K717-T721 HydrophobicContact CG-CG2 4.1Å; K717-T721 VanDerWaalsContact O-CB 3.29Å; K717-T721 WeakPolarHBondContact O-CB 3.43Å; K717-T721 WeakPolarHBondContact O-CG2 3.17Å; K717-T721 PolarHBondContact O-N 2.77Å; K717-T721 PolarHBondContact O-OG1 2.73Å; T721-H724 PolarHBondContact O-CE1 3.17Å; T721-H724 PolarHBondContact O-ND1 3.49Å
722	E	80.5	Confident	83	Confident	120 Å²	120	58.2 Å²	58.2	56%	0.561	27%	0.265	S	S	*	.	I	π-helix	trans	-103.7	-38.4	180	-62.1	-171.7	-173	0	0	112.3	T699 V718	T699-E722 WeakPolarHBondContact CG2-OE2 3.15Å; V718-E722 HydrophobicContact CG1-CB 4.25Å; V718-E722 HydrophobicContact CG1-CG 4.28Å; V718-E722 WeakPolarHBondContact O-CA 3.07Å; V718-E722 WeakPolarHBondContact O-CB 3.44Å; V718-E722 PolarHBondContact O-N 3.48Å
723	M	79.4	Confident	83.1	Confident	42 Å²	42	53.4 Å²	53.4	21%	0.207	25%	0.246	C	C	.	.	I	π-helix	trans	-90.1	-23.1	-178.7	-58.6	175	42.7	0	0	113.3	V703 V718 I719 D725	V703-M723 HydrophobicContact CG2-SD 3.96Å; V718-M723 PolarHBondContact O-N 2.72Å; I719-M723 HydrophobicContact CG1-SD 4.32Å; I719-M723 VanDerWaalsContact O-CB 3.32Å; I719-M723 WeakPolarHBondContact O-CB 3.2Å; I719-M723 PolarHBondContact O-N 3.33Å; M723-D725 HydrophobicContact CB-CB 4.32Å; M723-D725 HydrophobicContact CE-CB 4.43Å; M723-D725 PolarHBondContact O-N 2.98Å; M723-D725 VanDerWaalsContact O-N 3.08Å
724	H	77.8	Confident	83.2	Confident	130 Å²	130	49.6 Å²	49.6	60%	0.602	24%	0.238	S	C	*	.			trans	51.8	28.8	-175.5	-59.6	-13.3	0	0	0	113	I719 I720 T721	I719-H724 PolarHBondContact O-N 2.87Å; I719-H724 VanDerWaalsContact O-N 3.1Å; I720-H724 WeakPolarHBondContact O-CA 3.11Å; I720-H724 PolarHBondContact O-N 2.79Å; I720-H724 PolarHBondContact O-ND1 2.81Å; T721-H724 PolarHBondContact O-CE1 3.17Å; T721-H724 PolarHBondContact O-ND1 3.49Å
725	D	82.7	Confident	83.1	Confident	54 Å²	54	52.1 Å²	52.1	29%	0.289	25%	0.254	S	S	.	.			trans	-109	94.8	-176.7	-173.9	-11.2	0	0	0	109.9	I719 M723 L727 R728 A729	I719-D725 WeakPolarHBondContact CG2-O 3.19Å; M723-D725 HydrophobicContact CB-CB 4.32Å; M723-D725 HydrophobicContact CE-CB 4.43Å; M723-D725 PolarHBondContact O-N 2.98Å; M723-D725 VanDerWaalsContact O-N 3.08Å; D725-L727 VanDerWaalsContact C-N 3.28Å; D725-L727 PolarHBondContact O-N 2.86Å; D725-L727 PolarHBondContact OD1-N 2.96Å; D725-R728 HydrophobicContact CB-CB 4.3Å; D725-R728 PolarHBondContact O-N 2.81Å; D725-R728 PolarHBondContact OD1-N 2.84Å; D725-A729 PolarHBondContact O-N 2.59Å; D725-A729 VanDerWaalsContact O-N 3.14Å
726	I	82.2	Confident	82.9	Confident	9 Å²	9	54.5 Å²	54.5	5%	0.046	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-27.5	179.1	-175.5	148.1	0	0	0	112.9	A729 I730 F755 I758 L759	I726-A729 WeakPolarHBondContact O-CB 3.34Å; I726-A729 PolarHBondContact O-N 2.95Å; I726-I730 HydrophobicContact CG1-CD1 4Å; I726-I730 HydrophobicContact CG1-CG1 4.27Å; I726-I730 VanDerWaalsContact O-CG1 3.25Å; I726-I730 WeakPolarHBondContact O-CG1 3.17Å; I726-I730 PolarHBondContact O-N 2.75Å; I726-F755 HydrophobicContact CB-CD1 4.08Å; I726-F755 HydrophobicContact CB-CE1 4.08Å; I726-F755 HydrophobicContact CD1-CB 3.62Å; I726-F755 HydrophobicContact CD1-CD1 3.46Å; I726-F755 VanDerWaalsContact CD1-CD1 3.46Å; I726-F755 HydrophobicContact CD1-CE1 4.29Å; I726-F755 HydrophobicContact CD1-CG 3.77Å; I726-F755 WeakPolarHBondContact CD1-O 3.4Å; I726-F755 HydrophobicContact CG1-CD1 4.24Å; I726-I758 HydrophobicContact CG2-CB 3.98Å; I726-I758 HydrophobicContact CG2-CD1 3.73Å; I726-I758 HydrophobicContact CG2-CG1 4.46Å; I726-I758 HydrophobicContact CG2-CG2 3.58Å; I726-L759 HydrophobicContact CD1-CB 4.42Å; I726-L759 HydrophobicContact CD1-CD1 4.44Å
727	L	84.2	Confident	82.5	Confident	73 Å²	73	61 Å²	61	38%	0.382	30%	0.3	S	S	.	.	H	α-helix	trans	-68.8	-42.9	179.9	-66.2	177.8	0	0	0	110.2	D725 A729 I730 E731 I758 Y762	D725-L727 VanDerWaalsContact C-N 3.28Å; D725-L727 PolarHBondContact O-N 2.86Å; D725-L727 PolarHBondContact OD1-N 2.96Å; L727-A729 VanDerWaalsContact C-N 3.31Å; L727-A729 PolarHBondContact O-N 2.78Å; L727-I730 WeakPolarHBondContact O-CB 3.49Å; L727-I730 PolarHBondContact O-N 3.33Å; L727-E731 WeakPolarHBondContact O-CG 3.45Å; L727-E731 PolarHBondContact O-N 3.19Å; L727-I758 HydrophobicContact CD2-CG2 4.01Å; L727-Y762 HydrophobicContact CD2-CD2 3.87Å; L727-Y762 HydrophobicContact CD2-CE1 4.43Å; L727-Y762 HydrophobicContact CD2-CE2 3.69Å; L727-Y762 HydrophobicContact CD2-CG 4.35Å
728	R	82.3	Confident	82.3	Confident	109 Å²	109	56.9 Å²	56.9	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-33.9	170.6	-89.1	-171.2	179	178.8	8.9	113.4	I719 D725 I730 E731 F732	I719-R728 HydrophobicContact CG2-CB 4.05Å; D725-R728 HydrophobicContact CB-CB 4.3Å; D725-R728 PolarHBondContact O-N 2.81Å; D725-R728 PolarHBondContact OD1-N 2.84Å; R728-I730 VanDerWaalsContact C-N 3.32Å; R728-E731 PolarHBondContact O-N 3.26Å; R728-F732 VanDerWaalsContact O-CB 3.28Å; R728-F732 WeakPolarHBondContact O-CB 3.46Å; R728-F732 PolarHBondContact O-N 3Å
729	A	85	Confident	82	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-40.4	175	0	0	0	0	0	111.2	L716 I719 I720 D725 I726 L727 F732 C733 L745	L716-A729 HydrophobicContact CD1-CB 3.89Å; I719-A729 HydrophobicContact CG2-CB 3.84Å; I720-A729 HydrophobicContact CG1-CB 4.15Å; D725-A729 PolarHBondContact O-N 2.59Å; D725-A729 VanDerWaalsContact O-N 3.14Å; I726-A729 WeakPolarHBondContact O-CB 3.34Å; I726-A729 PolarHBondContact O-N 2.95Å; L727-A729 VanDerWaalsContact C-N 3.31Å; L727-A729 PolarHBondContact O-N 2.78Å; A729-F732 PolarHBondContact O-N 3.33Å; A729-C733 PolarHBondContact O-N 2.85Å; A729-C733 PolarHBondContact O-SG 3.43Å; A729-L745 HydrophobicContact CB-CD1 4Å
730	I	83.5	Confident	82	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-49.5	174.6	-69.7	166.3	0	0	0	110.2	I726 L727 R728 F732 C733 V734 W742 L745	I726-I730 HydrophobicContact CG1-CD1 4Å; I726-I730 HydrophobicContact CG1-CG1 4.27Å; I726-I730 VanDerWaalsContact O-CG1 3.25Å; I726-I730 WeakPolarHBondContact O-CG1 3.17Å; I726-I730 PolarHBondContact O-N 2.75Å; L727-I730 WeakPolarHBondContact O-CB 3.49Å; L727-I730 PolarHBondContact O-N 3.33Å; R728-I730 VanDerWaalsContact C-N 3.32Å; I730-F732 VanDerWaalsContact C-N 3.29Å; I730-F732 PolarHBondContact O-N 2.82Å; I730-C733 PolarHBondContact O-N 3.36Å; I730-C733 VanDerWaalsContact O-N 3.14Å; I730-V734 HydrophobicContact CG2-CG2 4.46Å; I730-V734 VanDerWaalsContact O-CG2 3.31Å; I730-V734 WeakPolarHBondContact O-CG2 3.45Å; I730-V734 PolarHBondContact O-N 3.25Å; I730-W742 HydrophobicContact CG2-CH2 4.02Å; I730-L745 HydrophobicContact CG1-CD2 4.08Å
731	E	83.4	Confident	82.2	Confident	116 Å²	116	63.5 Å²	63.5	54%	0.542	33%	0.326	S	S	.	.	H	α-helix	trans	-56.1	-44.5	175.5	-73.2	174.5	175.8	0	0	111.3	L727 R728 C733 V734 D735	L727-E731 WeakPolarHBondContact O-CG 3.45Å; L727-E731 PolarHBondContact O-N 3.19Å; R728-E731 PolarHBondContact O-N 3.26Å; E731-C733 PolarHBondContact O-N 3.16Å; E731-V734 PolarHBondContact O-N 2.81Å; E731-D735 PolarHBondContact O-N 3.26Å
732	F	85.6	Confident	82.4	Confident	19 Å²	19	61.4 Å²	61.4	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-43.5	176.3	-172.1	-93	0	0	0	112.1	R712 A715 L716 I719 R728 A729 I730 D735 H736 L741	R712-F732 HydrophobicContact CB-CE1 4.23Å; R712-F732 HydrophobicContact CB-CZ 4.29Å; A715-F732 HydrophobicContact CB-CE1 4.22Å; A715-F732 HydrophobicContact CB-CE2 3.97Å; A715-F732 HydrophobicContact CB-CZ 3.54Å; L716-F732 HydrophobicContact CB-CD1 4.33Å; L716-F732 HydrophobicContact CB-CE1 4.3Å; L716-F732 HydrophobicContact CD1-CD1 4.42Å; I719-F732 HydrophobicContact CD1-CB 3.75Å; I719-F732 HydrophobicContact CD1-CD1 4.31Å; I719-F732 HydrophobicContact CD1-CD2 3.82Å; I719-F732 HydrophobicContact CD1-CG 3.7Å; R728-F732 VanDerWaalsContact O-CB 3.28Å; R728-F732 WeakPolarHBondContact O-CB 3.46Å; R728-F732 PolarHBondContact O-N 3Å; A729-F732 PolarHBondContact O-N 3.33Å; I730-F732 VanDerWaalsContact C-N 3.29Å; I730-F732 PolarHBondContact O-N 2.82Å; F732-D735 PolarHBondContact O-N 2.93Å; F732-H736 AromaticContact CD1-ND1 3.96Å; F732-H736 AromaticContact CD2-CE1 3.54Å; F732-H736 AromaticContact CD2-ND1 3.91Å; F732-H736 AromaticContact CE1-CE1 3.95Å; F732-H736 AromaticContact CE1-ND1 3.89Å; F732-H736 AromaticContact CE2-CE1 3.19Å; F732-H736 WeakPolarHBondContact CE2-CE1 3.27Å; F732-H736 AromaticContact CE2-ND1 3.86Å; F732-H736 AromaticContact CE2-NE2 3.86Å; F732-H736 AromaticContact CG-ND1 3.96Å; F732-H736 AromaticContact CZ-CE1 3.41Å; F732-H736 VanDerWaalsContact CZ-CE1 3.41Å; F732-H736 WeakPolarHBondContact CZ-CE1 3.11Å; F732-H736 AromaticContact CZ-ND1 3.83Å; F732-H736 AromaticContact CZ-NE2 3.79Å; F732-H736 PolarHBondContact O-N 2.91Å; F732-H736 PolarHBondContact O-ND1 3.39Å; F732-L741 HydrophobicContact CE1-CD1 4.21Å
733	C	84.6	Confident	82.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-35.9	176.2	-67.3	0	0	0	0	112.6	A729 I730 E731 D737 W742	A729-C733 PolarHBondContact O-N 2.85Å; A729-C733 PolarHBondContact O-SG 3.43Å; I730-C733 PolarHBondContact O-N 3.36Å; I730-C733 VanDerWaalsContact O-N 3.14Å; E731-C733 PolarHBondContact O-N 3.16Å; C733-D737 PolarHBondContact O-N 3.09Å; C733-D737 VanDerWaalsContact O-N 3.11Å; C733-W742 HydrophobicContact CB-CD2 3.83Å; C733-W742 HydrophobicContact CB-CE3 4.01Å; C733-W742 HydrophobicContact CB-CH2 3.75Å; C733-W742 HydrophobicContact CB-CZ2 3.56Å; C733-W742 HydrophobicContact CB-CZ3 3.95Å
734	V	85	Confident	82.8	Confident	53 Å²	53	59.5 Å²	59.5	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-45.7	175.8	172.4	0	0	0	0	110.9	I730 E731 H736 D737 W742	I730-V734 HydrophobicContact CG2-CG2 4.46Å; I730-V734 VanDerWaalsContact O-CG2 3.31Å; I730-V734 WeakPolarHBondContact O-CG2 3.45Å; I730-V734 PolarHBondContact O-N 3.25Å; E731-V734 PolarHBondContact O-N 2.81Å; V734-H736 PolarHBondContact O-N 2.89Å; V734-D737 PolarHBondContact O-N 3.45Å; V734-W742 HydrophobicContact CG2-CH2 3.94Å; V734-W742 HydrophobicContact CG2-CZ2 3.69Å
735	D	81.8	Confident	83.1	Confident	135 Å²	135	53.3 Å²	53.3	72%	0.722	28%	0.278	S	S	*	.	H	α-helix	trans	-65.3	-27.8	-177.7	-75.4	-12.3	0	0	0	113.1	E731 F732	E731-D735 PolarHBondContact O-N 3.26Å; F732-D735 PolarHBondContact O-N 2.93Å
736	H	80.9	Confident	83.2	Confident	49 Å²	49	51 Å²	51	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-99.2	-11.3	-177.4	-65.1	81.6	0	0	0	114.1	F732 V734 D738 L741	F732-H736 AromaticContact CD1-ND1 3.96Å; F732-H736 AromaticContact CD2-CE1 3.54Å; F732-H736 AromaticContact CD2-ND1 3.91Å; F732-H736 AromaticContact CE1-CE1 3.95Å; F732-H736 AromaticContact CE1-ND1 3.89Å; F732-H736 AromaticContact CE2-CE1 3.19Å; F732-H736 WeakPolarHBondContact CE2-CE1 3.27Å; F732-H736 AromaticContact CE2-ND1 3.86Å; F732-H736 AromaticContact CE2-NE2 3.86Å; F732-H736 AromaticContact CG-ND1 3.96Å; F732-H736 AromaticContact CZ-CE1 3.41Å; F732-H736 VanDerWaalsContact CZ-CE1 3.41Å; F732-H736 WeakPolarHBondContact CZ-CE1 3.11Å; F732-H736 AromaticContact CZ-ND1 3.83Å; F732-H736 AromaticContact CZ-NE2 3.79Å; F732-H736 PolarHBondContact O-N 2.91Å; F732-H736 PolarHBondContact O-ND1 3.39Å; V734-H736 PolarHBondContact O-N 2.89Å; H736-D738 VanDerWaalsContact C-N 3.26Å; H736-D738 PolarHBondContact O-N 3.06Å; H736-L741 HydrophobicContact CB-CD1 3.86Å
737	D	77	Confident	83.2	Confident	141 Å²	141	56.2 Å²	56.2	75%	0.754	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	47.2	178.3	-162.9	31.7	0	0	0	114.1	C733 V734	C733-D737 PolarHBondContact O-N 3.09Å; C733-D737 VanDerWaalsContact O-N 3.11Å; V734-D737 PolarHBondContact O-N 3.45Å
738	D	80.2	Confident	83.1	Confident	49 Å²	49	56.2 Å²	56.2	26%	0.262	29%	0.285	S	S	.	.			trans	-113.2	121.8	-175.7	-167.7	-21.6	0	0	0	110.9	H736 D740 L741 W742	H736-D738 VanDerWaalsContact C-N 3.26Å; H736-D738 PolarHBondContact O-N 3.06Å; D738-D740 VanDerWaalsContact C-N 3.26Å; D738-D740 PolarHBondContact O-N 2.83Å; D738-D740 WeakPolarHBondContact OD1-CB 3.46Å; D738-D740 PolarHBondContact OD1-N 2.83Å; D738-L741 HydrophobicContact CB-CB 4.27Å; D738-L741 HydrophobicContact CB-CD1 3.83Å; D738-L741 HydrophobicContact CB-CG 3.85Å; D738-L741 PolarHBondContact O-N 3.28Å; D738-W742 PolarHBondContact O-N 2.91Å
739	S	79.4	Confident	83	Confident	90 Å²	90	51 Å²	51	63%	0.629	27%	0.265	S	S	*	.	H	α-helix	trans	-62.8	-32.2	179.3	-66.7	0	0	0	0	112.5	W742 L743	S739-W742 PolarHBondContact O-N 2.83Å; S739-L743 WeakPolarHBondContact O-CG 3.39Å; S739-L743 PolarHBondContact O-N 3.08Å
740	D	83.6	Confident	82.6	Confident	73 Å²	73	52.5 Å²	52.5	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-38	178.9	-81.2	4.2	0	0	0	111.7	R713 D738 W742 L743 D744	R713-D740 IonicContact NH1-OD2 3.66Å; R713-D740 PolarHBondContact NH1-OD2 3.45Å; R713-D740 IonicContact NH2-OD2 2.69Å; D738-D740 VanDerWaalsContact C-N 3.26Å; D738-D740 PolarHBondContact O-N 2.83Å; D738-D740 WeakPolarHBondContact OD1-CB 3.46Å; D738-D740 PolarHBondContact OD1-N 2.83Å; D740-W742 VanDerWaalsContact C-N 3.32Å; D740-W742 PolarHBondContact O-N 2.82Å; D740-L743 PolarHBondContact O-N 3.19Å; D740-D744 PolarHBondContact O-N 2.83Å
741	L	85.6	Confident	82.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-37.7	177.3	-64.8	179.3	0	0	0	111.3	R712 R713 L716 F732 H736 D738 D744 L745	R712-L741 HydrophobicContact CB-CD1 4.25Å; R712-L741 HydrophobicContact CB-CD2 4.18Å; R713-L741 HydrophobicContact CG-CD2 4.19Å; L716-L741 HydrophobicContact CD2-CB 4.23Å; L716-L741 HydrophobicContact CD2-CD2 4.01Å; F732-L741 HydrophobicContact CE1-CD1 4.21Å; H736-L741 HydrophobicContact CB-CD1 3.86Å; D738-L741 HydrophobicContact CB-CB 4.27Å; D738-L741 HydrophobicContact CB-CD1 3.83Å; D738-L741 HydrophobicContact CB-CG 3.85Å; D738-L741 PolarHBondContact O-N 3.28Å; L741-D744 PolarHBondContact O-N 2.72Å; L741-L745 WeakPolarHBondContact O-CB 3.44Å; L741-L745 PolarHBondContact O-N 3.3Å
742	W	85.4	Confident	81.9	Confident	13 Å²	13	57.5 Å²	57.5	5%	0.049	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-41.8	172.6	-74	113.1	0	0	0	111.9	I730 C733 V734 D738 S739 D740 L745 I746 V763 H766 V767	I730-W742 HydrophobicContact CG2-CH2 4.02Å; C733-W742 HydrophobicContact CB-CD2 3.83Å; C733-W742 HydrophobicContact CB-CE3 4.01Å; C733-W742 HydrophobicContact CB-CH2 3.75Å; C733-W742 HydrophobicContact CB-CZ2 3.56Å; C733-W742 HydrophobicContact CB-CZ3 3.95Å; V734-W742 HydrophobicContact CG2-CH2 3.94Å; V734-W742 HydrophobicContact CG2-CZ2 3.69Å; D738-W742 PolarHBondContact O-N 2.91Å; S739-W742 PolarHBondContact O-N 2.83Å; D740-W742 VanDerWaalsContact C-N 3.32Å; D740-W742 PolarHBondContact O-N 2.82Å; W742-L745 HydrophobicContact CE3-CD2 4.06Å; W742-L745 HydrophobicContact CZ3-CD2 3.88Å; W742-L745 PolarHBondContact O-N 2.83Å; W742-I746 WeakPolarHBondContact O-CB 3.34Å; W742-I746 WeakPolarHBondContact O-CD1 3.39Å; W742-I746 WeakPolarHBondContact O-CG1 3.48Å; W742-I746 PolarHBondContact O-N 3.17Å; W742-V763 HydrophobicContact CE3-CG2 3.64Å; W742-V763 HydrophobicContact CH2-CG2 3.82Å; W742-V763 HydrophobicContact CZ3-CG2 3.24Å; W742-H766 HydrophobicContact CH2-CB 4.28Å; W742-H766 HydrophobicContact CZ2-CB 3.82Å; W742-V767 HydrophobicContact CB-CG2 4Å; W742-V767 HydrophobicContact CD2-CG2 3.73Å; W742-V767 HydrophobicContact CE3-CG2 3.99Å; W742-V767 HydrophobicContact CG-CG2 3.75Å
743	L	84.4	Confident	81.4	Confident	81 Å²	81	59.1 Å²	59.1	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-46.3	176	-72	169.6	0	0	0	111.6	S739 D740 L745 I746 E747	S739-L743 WeakPolarHBondContact O-CG 3.39Å; S739-L743 PolarHBondContact O-N 3.08Å; D740-L743 PolarHBondContact O-N 3.19Å; L743-L745 VanDerWaalsContact C-N 3.34Å; L743-L745 PolarHBondContact O-N 3.39Å; L743-I746 PolarHBondContact O-N 2.88Å; L743-E747 WeakPolarHBondContact O-CB 3.3Å; L743-E747 PolarHBondContact O-N 2.85Å
744	D	83.5	Confident	81	Confident	41 Å²	41	65 Å²	65	22%	0.219	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-42.2	176.9	-72	-0.4	0	0	0	111.5	R713 L716 D740 L741 Y748	R713-D744 WeakPolarHBondContact CG-OD2 3.38Å; R713-D744 IonicContact CZ-OD1 3.69Å; R713-D744 IonicContact CZ-OD2 3.94Å; R713-D744 IonicContact NE-OD1 3.87Å; R713-D744 IonicContact NE-OD2 2.79Å; R713-D744 PolarHBondContact NE-OD2 3.25Å; R713-D744 IonicContact NH2-OD1 2.89Å; R713-D744 PolarHBondContact NH2-OD1 3.11Å; R713-D744 IonicContact NH2-OD2 3.18Å; R713-D744 PolarHBondContact NH2-OD2 3.31Å; L716-D744 HydrophobicContact CD2-CB 4.24Å; D740-D744 PolarHBondContact O-N 2.83Å; L741-D744 PolarHBondContact O-N 2.72Å; D744-Y748 WeakPolarHBondContact O-CB 3.24Å; D744-Y748 PolarHBondContact O-N 2.83Å
745	L	85.8	Confident	80.7	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-40.5	177.1	-176.2	65.1	0	0	0	111.5	I720 A729 I730 L741 W742 L743 S749 L759	I720-L745 HydrophobicContact CD1-CD1 3.74Å; I720-L745 HydrophobicContact CG1-CD1 4.27Å; A729-L745 HydrophobicContact CB-CD1 4Å; I730-L745 HydrophobicContact CG1-CD2 4.08Å; L741-L745 WeakPolarHBondContact O-CB 3.44Å; L741-L745 PolarHBondContact O-N 3.3Å; W742-L745 HydrophobicContact CE3-CD2 4.06Å; W742-L745 HydrophobicContact CZ3-CD2 3.88Å; W742-L745 PolarHBondContact O-N 2.83Å; L743-L745 VanDerWaalsContact C-N 3.34Å; L743-L745 PolarHBondContact O-N 3.39Å; L745-S749 VanDerWaalsContact O-CB 3.27Å; L745-S749 WeakPolarHBondContact O-CB 3.5Å; L745-S749 PolarHBondContact O-N 3.3Å; L745-S749 PolarHBondContact O-OG 3.3Å; L745-L759 HydrophobicContact CD2-CD1 3.59Å; L745-L759 HydrophobicContact CG-CD1 3.64Å
746	I	83.4	Confident	80.6	Confident	4 Å²	4	58 Å²	58	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-49	176.5	-70.9	163.7	0	0	0	110.2	W742 L743 Y748 S749 A750 L759 V767 L771 I772 Q775	W742-I746 WeakPolarHBondContact O-CB 3.34Å; W742-I746 WeakPolarHBondContact O-CD1 3.39Å; W742-I746 WeakPolarHBondContact O-CG1 3.48Å; W742-I746 PolarHBondContact O-N 3.17Å; L743-I746 PolarHBondContact O-N 2.88Å; I746-Y748 VanDerWaalsContact C-N 3.3Å; I746-Y748 PolarHBondContact O-N 3.14Å; I746-S749 WeakPolarHBondContact CA-OG 3.4Å; I746-S749 PolarHBondContact O-N 3.28Å; I746-S749 VanDerWaalsContact O-N 3.14Å; I746-S749 PolarHBondContact O-OG 3.26Å; I746-A750 PolarHBondContact O-N 3.23Å; I746-L759 HydrophobicContact CG1-CD2 3.98Å; I746-V767 HydrophobicContact CD1-CG1 4.03Å; I746-L771 HydrophobicContact CD1-CB 4.43Å; I746-I772 HydrophobicContact CD1-CG1 4.32Å; I746-Q775 HydrophobicContact CG2-CB 4.34Å; I746-Q775 HydrophobicContact CG2-CG 4.02Å
747	E	82.8	Confident	80.6	Confident	120 Å²	120	56.8 Å²	56.8	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-42.7	178.4	-172.1	178	-177.1	0	0	111.4	L743 A750	L743-E747 WeakPolarHBondContact O-CB 3.3Å; L743-E747 PolarHBondContact O-N 2.85Å; E747-A750 PolarHBondContact O-N 2.83Å
748	Y	81.1	Confident	80.8	Confident	72 Å²	72	52.9 Å²	52.9	28%	0.282	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-42.4	175.1	-169.9	-86.8	0	0	0	112.6	I720 D744 I746 A750 M751 H752 F755	I720-Y748 HydrophobicContact CD1-CG 4.45Å; I720-Y748 HydrophobicContact CG2-CD1 3.38Å; I720-Y748 HydrophobicContact CG2-CD2 4Å; I720-Y748 HydrophobicContact CG2-CE1 3.06Å; I720-Y748 HydrophobicContact CG2-CE2 3.71Å; I720-Y748 HydrophobicContact CG2-CG 3.83Å; D744-Y748 WeakPolarHBondContact O-CB 3.24Å; D744-Y748 PolarHBondContact O-N 2.83Å; I746-Y748 VanDerWaalsContact C-N 3.3Å; I746-Y748 PolarHBondContact O-N 3.14Å; Y748-A750 VanDerWaalsContact C-N 3.28Å; Y748-A750 PolarHBondContact O-N 3.06Å; Y748-M751 PolarHBondContact O-N 3.27Å; Y748-H752 AromaticContact CD1-ND1 3.86Å; Y748-H752 AromaticContact CE1-CE1 3.64Å; Y748-H752 AromaticContact CE1-ND1 3.39Å; Y748-H752 WeakPolarHBondContact CE1-ND1 3.4Å; Y748-H752 AromaticContact CZ-CE1 3.47Å; Y748-H752 VanDerWaalsContact CZ-CE1 3.47Å; Y748-H752 AromaticContact CZ-ND1 3.72Å; Y748-H752 PolarHBondContact O-ND1 2.97Å; Y748-H752 PolarHBondContact OH-CE1 3.49Å; Y748-F755 HydrophobicContact CD1-CD1 4.18Å; Y748-F755 HydrophobicContact CD1-CE1 4.47Å; Y748-F755 HydrophobicContact CE1-CD1 4.15Å; Y748-F755 HydrophobicContact CE1-CE1 4.1Å
749	S	80.2	Confident	80.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-28.7	179.4	74.3	0	0	0	0	112.7	L745 I746 M751 H752	L745-S749 VanDerWaalsContact O-CB 3.27Å; L745-S749 WeakPolarHBondContact O-CB 3.5Å; L745-S749 PolarHBondContact O-N 3.3Å; L745-S749 PolarHBondContact O-OG 3.3Å; I746-S749 WeakPolarHBondContact CA-OG 3.4Å; I746-S749 PolarHBondContact O-N 3.28Å; I746-S749 VanDerWaalsContact O-N 3.14Å; I746-S749 PolarHBondContact O-OG 3.26Å; S749-M751 PolarHBondContact O-N 3.48Å; S749-H752 CarbonylContact O-C 3.58Å; S749-H752 PolarHBondContact O-N 2.7Å
750	A	78.2	Confident	80.9	Confident	31 Å²	31	46.3 Å²	46.3	26%	0.256	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-29.6	175.3	0	0	0	0	0	112.1	I746 E747 Y748 Q775	I746-A750 PolarHBondContact O-N 3.23Å; E747-A750 PolarHBondContact O-N 2.83Å; Y748-A750 VanDerWaalsContact C-N 3.28Å; Y748-A750 PolarHBondContact O-N 3.06Å; A750-Q775 HydrophobicContact CB-CB 4.49Å
751	M	76.6	Confident	80.8	Confident	156 Å²	156	48.6 Å²	48.6	77%	0.768	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.8	175.2	-60.9	-76.3	168.8	0	0	113.1	Y748 S749	Y748-M751 PolarHBondContact O-N 3.27Å; S749-M751 PolarHBondContact O-N 3.48Å
752	H	75.8	Confident	80.5	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.361	26%	0.262	S	S	.	.			trans	-130.4	103.3	-173.7	-68.2	91.2	0	0	0	111.9	Y748 S749 D754 F755 L756	Y748-H752 AromaticContact CD1-ND1 3.86Å; Y748-H752 AromaticContact CE1-CE1 3.64Å; Y748-H752 AromaticContact CE1-ND1 3.39Å; Y748-H752 WeakPolarHBondContact CE1-ND1 3.4Å; Y748-H752 AromaticContact CZ-CE1 3.47Å; Y748-H752 VanDerWaalsContact CZ-CE1 3.47Å; Y748-H752 AromaticContact CZ-ND1 3.72Å; Y748-H752 PolarHBondContact O-ND1 2.97Å; Y748-H752 PolarHBondContact OH-CE1 3.49Å; S749-H752 CarbonylContact O-C 3.58Å; S749-H752 PolarHBondContact O-N 2.7Å; H752-D754 VanDerWaalsContact C-N 3.27Å; H752-D754 PolarHBondContact O-N 3.18Å; H752-D754 VanDerWaalsContact O-N 3.17Å; H752-F755 HydrophobicContact CB-CB 3.94Å; H752-F755 HydrophobicContact CB-CD2 4.05Å; H752-F755 HydrophobicContact CB-CG 4.07Å; H752-F755 WeakPolarHBondContact O-CB 3.21Å; H752-F755 PolarHBondContact O-N 2.96Å; H752-L756 PolarHBondContact O-N 3.01Å
753	T	74.4	Confident	80.2	Confident	54 Å²	54	54 Å²	54	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-57.2	-36.6	-174.3	-44.9	0	0	0	0	113.6	L756 I757 I782	T753-L756 PolarHBondContact O-N 2.92Å; T753-I757 WeakPolarHBondContact O-CG1 3.44Å; T753-I757 PolarHBondContact O-N 2.72Å; T753-I782 HydrophobicContact CG2-CG1 4.23Å; T753-I782 HydrophobicContact CG2-CG2 4.45Å
754	D	76.1	Confident	79.6	Confident	124 Å²	124	50.2 Å²	50.2	66%	0.663	24%	0.24	S	C	*	.	H	α-helix	trans	-66.7	-38.6	177.8	-62.1	-33.7	0	0	0	112	H752 I758	H752-D754 VanDerWaalsContact C-N 3.27Å; H752-D754 PolarHBondContact O-N 3.18Å; H752-D754 VanDerWaalsContact O-N 3.17Å; D754-I758 PolarHBondContact O-N 3.15Å
755	F	78.5	Confident	79.3	Confident	30 Å²	30	51.4 Å²	51.4	13%	0.132	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-41.8	179.3	-81.5	-127.7	0	0	0	110.3	I720 I726 Y748 H752 I757 I758 L759	I720-F755 HydrophobicContact CG2-CE1 4.25Å; I726-F755 HydrophobicContact CB-CD1 4.08Å; I726-F755 HydrophobicContact CB-CE1 4.08Å; I726-F755 HydrophobicContact CD1-CB 3.62Å; I726-F755 HydrophobicContact CD1-CD1 3.46Å; I726-F755 VanDerWaalsContact CD1-CD1 3.46Å; I726-F755 HydrophobicContact CD1-CE1 4.29Å; I726-F755 HydrophobicContact CD1-CG 3.77Å; I726-F755 WeakPolarHBondContact CD1-O 3.4Å; I726-F755 HydrophobicContact CG1-CD1 4.24Å; Y748-F755 HydrophobicContact CD1-CD1 4.18Å; Y748-F755 HydrophobicContact CD1-CE1 4.47Å; Y748-F755 HydrophobicContact CE1-CD1 4.15Å; Y748-F755 HydrophobicContact CE1-CE1 4.1Å; H752-F755 HydrophobicContact CB-CB 3.94Å; H752-F755 HydrophobicContact CB-CD2 4.05Å; H752-F755 HydrophobicContact CB-CG 4.07Å; H752-F755 WeakPolarHBondContact O-CB 3.21Å; H752-F755 PolarHBondContact O-N 2.96Å; F755-I757 VanDerWaalsContact C-N 3.34Å; F755-I757 PolarHBondContact O-N 2.81Å; F755-I758 PolarHBondContact O-N 3.07Å; F755-L759 VanDerWaalsContact O-CB 3.29Å; F755-L759 WeakPolarHBondContact O-CB 3.44Å; F755-L759 PolarHBondContact O-N 3.36Å
756	L	80.5	Confident	78.9	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-41.7	179	-171.2	69.9	0	0	0	112.5	H752 T753 L759 M760 I772 I776 I782	H752-L756 PolarHBondContact O-N 3.01Å; T753-L756 PolarHBondContact O-N 2.92Å; L756-L759 PolarHBondContact O-N 2.67Å; L756-M760 HydrophobicContact CD2-CE 4.29Å; L756-M760 HydrophobicContact CG-CE 3.91Å; L756-M760 WeakPolarHBondContact O-CB 3.45Å; L756-M760 WeakPolarHBondContact O-CG 3.34Å; L756-M760 PolarHBondContact O-N 2.88Å; L756-I772 HydrophobicContact CD1-CG2 4.09Å; L756-I776 HydrophobicContact CD2-CD1 4.49Å; L756-I776 HydrophobicContact CD2-CG1 4.17Å; L756-I782 HydrophobicContact CD2-CD1 3.66Å; L756-I782 HydrophobicContact CD2-CG1 4.5Å
757	I	79.5	Confident	78.8	Confident	25 Å²	25	55.9 Å²	55.9	13%	0.128	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-44.2	178.8	-67.2	169.6	0	0	0	111.2	T753 F755 M760 R761 I782 P783	T753-I757 WeakPolarHBondContact O-CG1 3.44Å; T753-I757 PolarHBondContact O-N 2.72Å; F755-I757 VanDerWaalsContact C-N 3.34Å; F755-I757 PolarHBondContact O-N 2.81Å; I757-M760 HydrophobicContact CG1-CE 4.44Å; I757-R761 PolarHBondContact O-N 3.48Å; I757-I782 HydrophobicContact CD1-CG2 3.98Å; I757-I782 HydrophobicContact CG1-CG2 3.71Å; I757-P783 HydrophobicContact CD1-CB 4.37Å; I757-P783 WeakPolarHBondContact CD1-O 3.25Å
758	I	82	Confident	78.7	Confident	59 Å²	59	53 Å²	53	30%	0.303	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-45.3	178.8	-61.7	169.4	0	0	0	109.4	I726 L727 D754 F755 M760 R761 Y762	I726-I758 HydrophobicContact CG2-CB 3.98Å; I726-I758 HydrophobicContact CG2-CD1 3.73Å; I726-I758 HydrophobicContact CG2-CG1 4.46Å; I726-I758 HydrophobicContact CG2-CG2 3.58Å; L727-I758 HydrophobicContact CD2-CG2 4.01Å; D754-I758 PolarHBondContact O-N 3.15Å; F755-I758 PolarHBondContact O-N 3.07Å; I758-M760 PolarHBondContact O-N 2.9Å; I758-R761 WeakPolarHBondContact O-CB 3.18Å; I758-R761 PolarHBondContact O-N 2.74Å; I758-Y762 HydrophobicContact CG2-CD2 3.85Å; I758-Y762 HydrophobicContact CG2-CE2 4.05Å; I758-Y762 WeakPolarHBondContact O-CD2 3.31Å; I758-Y762 PolarHBondContact O-N 3.4Å
759	L	83	Confident	78.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55	-49.2	176.5	-166.4	108.2	0	0	0	111.5	I726 L745 I746 F755 L756 R761 Y762 V763 I772	I726-L759 HydrophobicContact CD1-CB 4.42Å; I726-L759 HydrophobicContact CD1-CD1 4.44Å; L745-L759 HydrophobicContact CD2-CD1 3.59Å; L745-L759 HydrophobicContact CG-CD1 3.64Å; I746-L759 HydrophobicContact CG1-CD2 3.98Å; F755-L759 VanDerWaalsContact O-CB 3.29Å; F755-L759 WeakPolarHBondContact O-CB 3.44Å; F755-L759 PolarHBondContact O-N 3.36Å; L756-L759 PolarHBondContact O-N 2.67Å; L759-R761 PolarHBondContact O-N 3.26Å; L759-Y762 PolarHBondContact O-N 2.79Å; L759-V763 HydrophobicContact CD2-CG1 4.24Å; L759-V763 HydrophobicContact CG-CB 4.23Å; L759-V763 HydrophobicContact CG-CG1 4.26Å; L759-V763 WeakPolarHBondContact O-CB 3.48Å; L759-V763 WeakPolarHBondContact O-CG1 3.4Å; L759-V763 PolarHBondContact O-N 2.78Å; L759-I772 HydrophobicContact CD2-CD1 4.3Å; L759-I772 HydrophobicContact CD2-CG1 4.31Å; L759-I772 HydrophobicContact CD2-CG2 4.4Å
760	M	79.6	Confident	78.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-31.8	178.1	-77	-171.6	-77.9	0	0	113.4	L756 I757 I758 I772 I776 I782 L785 A788 L792	L756-M760 HydrophobicContact CD2-CE 4.29Å; L756-M760 HydrophobicContact CG-CE 3.91Å; L756-M760 WeakPolarHBondContact O-CB 3.45Å; L756-M760 WeakPolarHBondContact O-CG 3.34Å; L756-M760 PolarHBondContact O-N 2.88Å; I757-M760 HydrophobicContact CG1-CE 4.44Å; I758-M760 PolarHBondContact O-N 2.9Å; M760-I772 HydrophobicContact CG-CG2 3.95Å; M760-I776 HydrophobicContact SD-CD1 4.39Å; M760-I782 HydrophobicContact CE-CG2 4.29Å; M760-L785 HydrophobicContact CE-CD1 4.03Å; M760-L785 HydrophobicContact SD-CD1 4.26Å; M760-A788 HydrophobicContact CB-CB 4.06Å; M760-A788 HydrophobicContact CE-CB 3.96Å; M760-A788 HydrophobicContact SD-CB 4.2Å; M760-L792 HydrophobicContact CG-CD2 4.29Å; M760-L792 WeakPolarHBondContact O-CB 3.25Å
761	R	81	Confident	78.8	Confident	121 Å²	121	58.5 Å²	58.5	46%	0.457	28%	0.278	S	S	.	.	H	α-helix	trans	-76.4	-25.7	-179.7	-79.6	-179.2	163	-173.9	-2.6	114.2	I757 I758 L759	I757-R761 PolarHBondContact O-N 3.48Å; I758-R761 WeakPolarHBondContact O-CB 3.18Å; I758-R761 PolarHBondContact O-N 2.74Å; L759-R761 PolarHBondContact O-N 3.26Å
762	Y	78.6	Confident	79	Confident	130 Å²	130	51.1 Å²	51.1	51%	0.51	24%	0.242	S	C	.	.	H	α-helix	trans	-113.7	-24.2	-173	-72.8	-81.5	0	0	0	113.8	L727 I758 L759	L727-Y762 HydrophobicContact CD2-CD2 3.87Å; L727-Y762 HydrophobicContact CD2-CE1 4.43Å; L727-Y762 HydrophobicContact CD2-CE2 3.69Å; L727-Y762 HydrophobicContact CD2-CG 4.35Å; I758-Y762 HydrophobicContact CG2-CD2 3.85Å; I758-Y762 HydrophobicContact CG2-CE2 4.05Å; I758-Y762 WeakPolarHBondContact O-CD2 3.31Å; I758-Y762 PolarHBondContact O-N 3.4Å; L759-Y762 PolarHBondContact O-N 2.79Å
763	V	79.3	Confident	79.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-87.4	-9.5	-168.9	96.5	0	0	0	0	114.6	W742 L759 M765 H766 V767 I772 L792	W742-V763 HydrophobicContact CE3-CG2 3.64Å; W742-V763 HydrophobicContact CH2-CG2 3.82Å; W742-V763 HydrophobicContact CZ3-CG2 3.24Å; L759-V763 HydrophobicContact CD2-CG1 4.24Å; L759-V763 HydrophobicContact CG-CB 4.23Å; L759-V763 HydrophobicContact CG-CG1 4.26Å; L759-V763 WeakPolarHBondContact O-CB 3.48Å; L759-V763 WeakPolarHBondContact O-CG1 3.4Å; L759-V763 PolarHBondContact O-N 2.78Å; V763-M765 PolarHBondContact O-N 2.92Å; V763-H766 HydrophobicContact CG2-CB 4.5Å; V763-H766 PolarHBondContact O-N 3.32Å; V763-V767 HydrophobicContact CG2-CB 4.39Å; V763-V767 HydrophobicContact CG2-CG2 3.91Å; V763-V767 PolarHBondContact O-N 3.24Å; V763-I772 HydrophobicContact CG1-CD1 3.13Å; V763-I772 HydrophobicContact CG1-CG1 4.3Å; V763-L792 HydrophobicContact CG1-CD1 4.12Å
764	G	72.3	Confident	79.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59.1	-15.7	-172.8	0	0	0	0	0	115.7	H796	G764-H796 PolarHBondContact O-N 3.22Å
765	M	76.1	Confident	79.5	Confident	67 Å²	67	52.9 Å²	52.9	33%	0.33	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-89.2	-21.3	174	-55.5	-87.1	58.1	0	0	113.7	V763 D795 I798 R799	V763-M765 PolarHBondContact O-N 2.92Å; M765-D795 HydrophobicContact CE-CB 4.15Å; M765-D795 WeakPolarHBondContact CE-O 3.36Å; M765-D795 HydrophobicContact CG-CB 4.39Å; M765-D795 HydrophobicContact SD-CB 4.49Å; M765-I798 HydrophobicContact CE-CB 4.28Å; M765-I798 HydrophobicContact CE-CG2 4.36Å; M765-R799 HydrophobicContact CE-CB 3.53Å; M765-R799 HydrophobicContact CE-CG 4.35Å; M765-R799 WeakPolarHBondContact O-CD 3.33Å; M765-R799 PolarHBondContact O-NH1 2.92Å
766	H	78.2	Confident	79.5	Confident	87 Å²	87	53.4 Å²	53.4	40%	0.403	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-38.9	-170.4	-62.6	-77.1	0	0	0	112.8	W742 V763 R799	W742-H766 HydrophobicContact CH2-CB 4.28Å; W742-H766 HydrophobicContact CZ2-CB 3.82Å; V763-H766 HydrophobicContact CG2-CB 4.5Å; V763-H766 PolarHBondContact O-N 3.32Å; H766-R799 PolarHBondContact O-NH1 2.87Å; H766-R799 VanDerWaalsContact O-NH1 3.15Å
767	V	81.5	Confident	79.1	Confident	11 Å²	11	56.4 Å²	56.4	7%	0.067	27%	0.272	C	S	.	.	S	Bend	trans	-118.9	150.3	-172.6	-173.5	0	0	0	0	111.3	W742 I746 V763 P769 L771 R799	W742-V767 HydrophobicContact CB-CG2 4Å; W742-V767 HydrophobicContact CD2-CG2 3.73Å; W742-V767 HydrophobicContact CE3-CG2 3.99Å; W742-V767 HydrophobicContact CG-CG2 3.75Å; I746-V767 HydrophobicContact CD1-CG1 4.03Å; V763-V767 HydrophobicContact CG2-CB 4.39Å; V763-V767 HydrophobicContact CG2-CG2 3.91Å; V763-V767 PolarHBondContact O-N 3.24Å; V767-P769 WeakPolarHBondContact O-CD 3.15Å; V767-L771 HydrophobicContact CG1-CB 4.12Å; V767-L771 HydrophobicContact CG1-CD1 3.59Å; V767-L771 HydrophobicContact CG1-CG 4.43Å; V767-R799 PolarHBondContact O-NH1 3.29Å
768	D	80.1	Confident	78.6	Confident	58 Å²	58	61.8 Å²	61.8	31%	0.31	31%	0.306	S	S	.	.			trans	-62.4	121.6	169.4	-173.8	-21	0	0	0	109.3	K770 L771	D768-K770 PolarHBondContact O-N 3.03Å; D768-K770 WeakPolarHBondContact OD1-CB 3.4Å; D768-K770 WeakPolarHBondContact OD1-CG 2.98Å; D768-K770 PolarHBondContact OD1-N 3.47Å; D768-L771 WeakPolarHBondContact O-CB 3.29Å; D768-L771 PolarHBondContact O-N 3.02Å
769	P	79.9	Confident	78	Confident	4 Å²	4	66 Å²	66	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-51.3	-27.3	178.4	-29.5	35.7	0	0	0	114.4	V767 L771 I772 I773 L792 H796	V767-P769 WeakPolarHBondContact O-CD 3.15Å; P769-L771 VanDerWaalsContact C-N 3.27Å; P769-L771 PolarHBondContact O-N 3.41Å; P769-I772 PolarHBondContact O-N 3.4Å; P769-I772 VanDerWaalsContact O-N 3.12Å; P769-I773 HydrophobicContact CB-CD1 4.15Å; P769-I773 VanDerWaalsContact O-CG1 3.26Å; P769-I773 WeakPolarHBondContact O-CG1 3.5Å; P769-I773 PolarHBondContact O-N 3.15Å; P769-L792 HydrophobicContact CB-CD2 3.93Å; P769-L792 HydrophobicContact CB-CG 4.03Å; P769-L792 HydrophobicContact CG-CD1 4.47Å; P769-L792 HydrophobicContact CG-CG 4.2Å; P769-H796 VanDerWaalsContact CD-CE1 3.41Å; P769-H796 WeakPolarHBondContact CD-CE1 3.36Å; P769-H796 WeakPolarHBondContact CD-ND1 3.34Å; P769-H796 HydrophobicContact CG-CB 3.39Å
770	K	81.4	Confident	77.4	Confident	136 Å²	136	68.5 Å²	68.5	59%	0.591	34%	0.344	S	S	*	.	H	α-helix	trans	-56.4	-41.7	177	-70.2	178.5	-179.9	178.1	0	112.5	D768 I772 I773 D774	D768-K770 PolarHBondContact O-N 3.03Å; D768-K770 WeakPolarHBondContact OD1-CB 3.4Å; D768-K770 WeakPolarHBondContact OD1-CG 2.98Å; D768-K770 PolarHBondContact OD1-N 3.47Å; K770-I772 PolarHBondContact O-N 3.21Å; K770-I773 PolarHBondContact O-N 3.34Å; K770-D774 WeakPolarHBondContact O-CB 3.37Å; K770-D774 PolarHBondContact O-N 3.09Å
771	L	80.7	Confident	77.1	Confident	80 Å²	80	78.1 Å²	78.1	42%	0.419	39%	0.386	S	S	.	.	H	α-helix	trans	-61.6	-28.2	-179.6	-68.2	171.6	0	0	0	112.5	I746 V767 D768 P769 Q775	I746-L771 HydrophobicContact CD1-CB 4.43Å; V767-L771 HydrophobicContact CG1-CB 4.12Å; V767-L771 HydrophobicContact CG1-CD1 3.59Å; V767-L771 HydrophobicContact CG1-CG 4.43Å; D768-L771 WeakPolarHBondContact O-CB 3.29Å; D768-L771 PolarHBondContact O-N 3.02Å; P769-L771 VanDerWaalsContact C-N 3.27Å; P769-L771 PolarHBondContact O-N 3.41Å; L771-Q775 VanDerWaalsContact O-CG 3.27Å; L771-Q775 WeakPolarHBondContact O-CG 3.43Å
772	I	81	Confident	76.6	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-84.6	-47.5	177.3	-52.6	166.6	0	0	0	109.6	I746 L756 L759 M760 V763 P769 K770 D774 Q775 I776 L792	I746-I772 HydrophobicContact CD1-CG1 4.32Å; L756-I772 HydrophobicContact CD1-CG2 4.09Å; L759-I772 HydrophobicContact CD2-CD1 4.3Å; L759-I772 HydrophobicContact CD2-CG1 4.31Å; L759-I772 HydrophobicContact CD2-CG2 4.4Å; M760-I772 HydrophobicContact CG-CG2 3.95Å; V763-I772 HydrophobicContact CG1-CD1 3.13Å; V763-I772 HydrophobicContact CG1-CG1 4.3Å; P769-I772 PolarHBondContact O-N 3.4Å; P769-I772 VanDerWaalsContact O-N 3.12Å; K770-I772 PolarHBondContact O-N 3.21Å; I772-D774 VanDerWaalsContact C-N 3.33Å; I772-D774 PolarHBondContact O-N 2.85Å; I772-Q775 PolarHBondContact O-N 3.33Å; I772-I776 WeakPolarHBondContact O-CG1 3.46Å; I772-L792 HydrophobicContact CD1-CD1 3.72Å; I772-L792 HydrophobicContact CD1-CD2 4.08Å
773	I	79.3	Confident	76.3	Confident	68 Å²	68	70.3 Å²	70.3	35%	0.349	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-40.5	-176	-66.1	166.3	0	0	0	111	P769 K770 Q775 I776 L789	P769-I773 HydrophobicContact CB-CD1 4.15Å; P769-I773 VanDerWaalsContact O-CG1 3.26Å; P769-I773 WeakPolarHBondContact O-CG1 3.5Å; P769-I773 PolarHBondContact O-N 3.15Å; K770-I773 PolarHBondContact O-N 3.34Å; I773-Q775 PolarHBondContact O-N 3.41Å; I773-I776 PolarHBondContact O-N 2.79Å; I773-L789 HydrophobicContact CD1-CD2 4.32Å; I773-L789 HydrophobicContact CG1-CD2 4.34Å
774	D	82.1	Confident	76.2	Confident	127 Å²	127	76.3 Å²	76.3	68%	0.679	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.8	-179.9	-69.1	-19.3	0	0	0	112.6	K770 I772	K770-D774 WeakPolarHBondContact O-CB 3.37Å; K770-D774 PolarHBondContact O-N 3.09Å; I772-D774 VanDerWaalsContact C-N 3.33Å; I772-D774 PolarHBondContact O-N 2.85Å
775	Q	75.8	Confident	76.6	Confident	98 Å²	98	78.9 Å²	78.9	46%	0.458	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.6	179.1	-66.7	-75.4	37.4	0	0	113.5	I746 A750 L771 I772 I773 P777	I746-Q775 HydrophobicContact CG2-CB 4.34Å; I746-Q775 HydrophobicContact CG2-CG 4.02Å; A750-Q775 HydrophobicContact CB-CB 4.49Å; L771-Q775 VanDerWaalsContact O-CG 3.27Å; L771-Q775 WeakPolarHBondContact O-CG 3.43Å; I772-Q775 PolarHBondContact O-N 3.33Å; I773-Q775 PolarHBondContact O-N 3.41Å; Q775-P777 VanDerWaalsContact O-CD 3.3Å; Q775-P777 WeakPolarHBondContact O-CD 3.37Å
776	I	77.6	Confident	77	Confident	41 Å²	41	83.2 Å²	83.2	21%	0.21	43%	0.425	C	S	.	.	S	Bend	trans	-80.5	117.1	178.1	-59	178.6	0	0	0	109.4	L756 M760 I772 I773 I782	L756-I776 HydrophobicContact CD2-CD1 4.49Å; L756-I776 HydrophobicContact CD2-CG1 4.17Å; M760-I776 HydrophobicContact SD-CD1 4.39Å; I772-I776 WeakPolarHBondContact O-CG1 3.46Å; I773-I776 PolarHBondContact O-N 2.79Å; I776-I782 HydrophobicContact CD1-CD1 4.37Å; I776-I782 HydrophobicContact CG2-CD1 3.63Å
777	P	72.7	Confident	77.3	Confident	72 Å²	72	83 Å²	83	47%	0.468	43%	0.426	S	S	.	.			trans	-66.1	144	177.6	-12.7	24.8	0	0	0	111.8	Q775 D779 T780	Q775-P777 VanDerWaalsContact O-CD 3.3Å; Q775-P777 WeakPolarHBondContact O-CD 3.37Å; P777-D779 PolarHBondContact O-N 3.21Å; P777-T780 VanDerWaalsContact CB-OG1 3.3Å; P777-T780 WeakPolarHBondContact CB-OG1 3.25Å; P777-T780 VanDerWaalsContact CD-OG1 3.3Å; P777-T780 WeakPolarHBondContact CD-OG1 3.46Å; P777-T780 WeakPolarHBondContact CG-OG1 3.34Å; P777-T780 PolarHBondContact O-N 2.65Å; P777-T780 PolarHBondContact O-OG1 3.4Å
778	T	68.4	Low	77.3	Confident	139 Å²	139	82.5 Å²	82.5	85%	0.853	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.3	-176	51.8	0	0	0	0	114.4
779	D	69	Low	77.5	Confident	148 Å²	148	82.1 Å²	82.1	79%	0.791	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	10.5	-170.2	-57.5	-4.1	0	0	0	112.7	P777	P777-D779 PolarHBondContact O-N 3.21Å
780	T	71.8	Confident	77.8	Confident	51 Å²	51	86.8 Å²	86.8	31%	0.313	45%	0.445	S	S	.	.			trans	-92	117.2	-171.3	-28.6	0	0	0	0	112	P777 I782	P777-T780 VanDerWaalsContact CB-OG1 3.3Å; P777-T780 WeakPolarHBondContact CB-OG1 3.25Å; P777-T780 VanDerWaalsContact CD-OG1 3.3Å; P777-T780 WeakPolarHBondContact CD-OG1 3.46Å; P777-T780 WeakPolarHBondContact CG-OG1 3.34Å; P777-T780 PolarHBondContact O-N 2.65Å; P777-T780 PolarHBondContact O-OG1 3.4Å; T780-I782 HydrophobicContact CG2-CG1 4.17Å; T780-I782 PolarHBondContact O-N 2.91Å
781	K	71.9	Confident	78	Confident	202 Å²	202	84.5 Å²	84.5	88%	0.878	44%	0.435	S	S	*	.			trans	-79.6	95	170.4	-73.5	-173.5	179.7	178.9	0	110.3	P783	K781-P783 WeakPolarHBondContact O-CD 3.5Å
782	I	70.9	Confident	78.3	Confident	16 Å²	16	80.7 Å²	80.7	8%	0.082	42%	0.415	C	S	.	.			trans	-92	116.5	177.1	-57.6	167.5	0	0	0	109.7	T753 L756 I757 M760 I776 T780 L785	T753-I782 HydrophobicContact CG2-CG1 4.23Å; T753-I782 HydrophobicContact CG2-CG2 4.45Å; L756-I782 HydrophobicContact CD2-CD1 3.66Å; L756-I782 HydrophobicContact CD2-CG1 4.5Å; I757-I782 HydrophobicContact CD1-CG2 3.98Å; I757-I782 HydrophobicContact CG1-CG2 3.71Å; M760-I782 HydrophobicContact CE-CG2 4.29Å; I776-I782 HydrophobicContact CD1-CD1 4.37Å; I776-I782 HydrophobicContact CG2-CD1 3.63Å; T780-I782 HydrophobicContact CG2-CG1 4.17Å; T780-I782 PolarHBondContact O-N 2.91Å; I782-L785 HydrophobicContact CB-CB 3.97Å; I782-L785 HydrophobicContact CB-CD1 4.14Å; I782-L785 HydrophobicContact CB-CD2 4.29Å; I782-L785 HydrophobicContact CB-CG 4.34Å; I782-L785 HydrophobicContact CD1-CD1 3.95Å; I782-L785 HydrophobicContact CD1-CD2 4.46Å; I782-L785 HydrophobicContact CG2-CB 4.04Å; I782-L785 HydrophobicContact CG2-CD1 4.04Å; I782-L785 WeakPolarHBondContact O-CB 3.28Å; I782-L785 PolarHBondContact O-N 2.83Å
783	P	72.9	Confident	78.5	Confident	71 Å²	71	84.6 Å²	84.6	46%	0.461	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	142.4	172.5	-21.7	31.7	0	0	0	111.8	I757 K781 L785	I757-P783 HydrophobicContact CD1-CB 4.37Å; I757-P783 WeakPolarHBondContact CD1-O 3.25Å; K781-P783 WeakPolarHBondContact O-CD 3.5Å; P783-L785 PolarHBondContact O-N 2.74Å
784	H	76.1	Confident	79	Confident	127 Å²	127	85.9 Å²	85.9	59%	0.588	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	21.6	177.9	-55.4	-75.1	0	0	0	115	K786 D787 A788	H784-K786 PolarHBondContact O-N 3.41Å; H784-K786 VanDerWaalsContact O-N 3.12Å; H784-D787 IonicContact ND1-OD2 2.84Å; H784-D787 PolarHBondContact O-N 2.84Å; H784-A788 PolarHBondContact O-N 3.04Å
785	L	82.1	Confident	79.2	Confident	53 Å²	53	80.3 Å²	80.3	28%	0.277	41%	0.413	S	S	.	.	H	α-helix	trans	-52.2	-39.8	-178.3	179.4	58.9	0	0	0	112.1	M760 I782 P783 D787 A788 L789	M760-L785 HydrophobicContact CE-CD1 4.03Å; M760-L785 HydrophobicContact SD-CD1 4.26Å; I782-L785 HydrophobicContact CB-CB 3.97Å; I782-L785 HydrophobicContact CB-CD1 4.14Å; I782-L785 HydrophobicContact CB-CD2 4.29Å; I782-L785 HydrophobicContact CB-CG 4.34Å; I782-L785 HydrophobicContact CD1-CD1 3.95Å; I782-L785 HydrophobicContact CD1-CD2 4.46Å; I782-L785 HydrophobicContact CG2-CB 4.04Å; I782-L785 HydrophobicContact CG2-CD1 4.04Å; I782-L785 WeakPolarHBondContact O-CB 3.28Å; I782-L785 PolarHBondContact O-N 2.83Å; P783-L785 PolarHBondContact O-N 2.74Å; L785-D787 VanDerWaalsContact C-N 3.34Å; L785-D787 PolarHBondContact O-N 2.62Å; L785-A788 PolarHBondContact O-N 2.9Å; L785-L789 HydrophobicContact CD1-CD1 3.73Å; L785-L789 HydrophobicContact CD1-CG 4.1Å; L785-L789 HydrophobicContact CD2-CD1 4.35Å; L785-L789 HydrophobicContact CG-CD1 3.67Å; L785-L789 HydrophobicContact CG-CG 4.48Å; L785-L789 VanDerWaalsContact O-CB 3.28Å; L785-L789 WeakPolarHBondContact O-CB 3.47Å; L785-L789 PolarHBondContact O-N 3.48Å
786	K	83.3	Confident	79.7	Confident	159 Å²	159	77.2 Å²	77.2	69%	0.691	40%	0.398	S	S	*	.	H	α-helix	trans	-56.8	-46.6	176.3	-176.9	-178.1	174	-174.6	0	111.9	H784 L790	H784-K786 PolarHBondContact O-N 3.41Å; H784-K786 VanDerWaalsContact O-N 3.12Å; K786-L790 WeakPolarHBondContact O-CB 3.48Å; K786-L790 PolarHBondContact O-N 2.95Å
787	D	84.9	Confident	80.2	Confident	83 Å²	83	79 Å²	79	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-72.3	-39.9	-177	-57.8	-33.6	0	0	0	111.2	H784 L785 L790 K791	H784-D787 IonicContact ND1-OD2 2.84Å; H784-D787 PolarHBondContact O-N 2.84Å; L785-D787 VanDerWaalsContact C-N 3.34Å; L785-D787 PolarHBondContact O-N 2.62Å; D787-L790 PolarHBondContact O-N 3.16Å; D787-K791 WeakPolarHBondContact O-CB 3.44Å; D787-K791 PolarHBondContact O-N 2.86Å
788	A	82.3	Confident	81	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.8	-44.9	175.8	0	0	0	0	0	111.8	M760 H784 L785 K791 L792	M760-A788 HydrophobicContact CB-CB 4.06Å; M760-A788 HydrophobicContact CE-CB 3.96Å; M760-A788 HydrophobicContact SD-CB 4.2Å; H784-A788 PolarHBondContact O-N 3.04Å; L785-A788 PolarHBondContact O-N 2.9Å; A788-K791 PolarHBondContact O-N 2.8Å; A788-L792 WeakPolarHBondContact O-CB 3.33Å; A788-L792 PolarHBondContact O-N 3.47Å
789	L	84.1	Confident	81.8	Confident	49 Å²	49	74.5 Å²	74.5	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-43.9	173.7	-88	159.6	0	0	0	112	I773 L785 K791 L792 L793	I773-L789 HydrophobicContact CD1-CD2 4.32Å; I773-L789 HydrophobicContact CG1-CD2 4.34Å; L785-L789 HydrophobicContact CD1-CD1 3.73Å; L785-L789 HydrophobicContact CD1-CG 4.1Å; L785-L789 HydrophobicContact CD2-CD1 4.35Å; L785-L789 HydrophobicContact CG-CD1 3.67Å; L785-L789 HydrophobicContact CG-CG 4.48Å; L785-L789 VanDerWaalsContact O-CB 3.28Å; L785-L789 WeakPolarHBondContact O-CB 3.47Å; L785-L789 PolarHBondContact O-N 3.48Å; L789-K791 VanDerWaalsContact C-N 3.28Å; L789-K791 PolarHBondContact O-N 3.23Å; L789-L792 PolarHBondContact O-N 2.93Å; L789-L793 VanDerWaalsContact O-CB 3.31Å; L789-L793 WeakPolarHBondContact O-CB 3.22Å; L789-L793 VanDerWaalsContact O-CG 3.23Å; L789-L793 WeakPolarHBondContact O-CG 3.24Å; L789-L793 PolarHBondContact O-N 3.42Å
790	L	85.8	Confident	82.7	Confident	103 Å²	103	70.1 Å²	70.1	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-42.8	178.8	-124.8	149.6	0	0	0	110.8	K786 D787 L794	K786-L790 WeakPolarHBondContact O-CB 3.48Å; K786-L790 PolarHBondContact O-N 2.95Å; D787-L790 PolarHBondContact O-N 3.16Å; L790-L794 WeakPolarHBondContact O-CB 3.44Å; L790-L794 PolarHBondContact O-N 2.97Å
791	K	85.5	Confident	83.6	Confident	87 Å²	87	72 Å²	72	38%	0.378	36%	0.36	S	S	.	.	H	α-helix	trans	-65.5	-49.1	176.3	-178.2	54.3	174.7	156	0	111.8	D787 A788 L789 L793 L794 D795	D787-K791 WeakPolarHBondContact O-CB 3.44Å; D787-K791 PolarHBondContact O-N 2.86Å; A788-K791 PolarHBondContact O-N 2.8Å; L789-K791 VanDerWaalsContact C-N 3.28Å; L789-K791 PolarHBondContact O-N 3.23Å; K791-L793 PolarHBondContact O-N 2.88Å; K791-L794 PolarHBondContact O-N 2.91Å; K791-D795 WeakPolarHBondContact CD-OD2 3.41Å; K791-D795 WeakPolarHBondContact CE-OD1 3.45Å; K791-D795 WeakPolarHBondContact CE-OD2 3.43Å; K791-D795 VanDerWaalsContact NZ-CG 3.28Å; K791-D795 IonicContact NZ-OD1 3.73Å; K791-D795 PolarHBondContact NZ-OD1 3.47Å; K791-D795 IonicContact NZ-OD2 3.39Å; K791-D795 PolarHBondContact NZ-OD2 2.78Å; K791-D795 WeakPolarHBondContact O-CB 3.45Å; K791-D795 VanDerWaalsContact O-CG 3.28Å; K791-D795 PolarHBondContact O-N 2.83Å
792	L	86.1	Confident	84.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-56.8	-48	178.4	-178.9	69.5	0	0	0	112	M760 V763 P769 I772 A788 L789 H796	M760-L792 HydrophobicContact CG-CD2 4.29Å; M760-L792 WeakPolarHBondContact O-CB 3.25Å; V763-L792 HydrophobicContact CG1-CD1 4.12Å; P769-L792 HydrophobicContact CB-CD2 3.93Å; P769-L792 HydrophobicContact CB-CG 4.03Å; P769-L792 HydrophobicContact CG-CD1 4.47Å; P769-L792 HydrophobicContact CG-CG 4.2Å; I772-L792 HydrophobicContact CD1-CD1 3.72Å; I772-L792 HydrophobicContact CD1-CD2 4.08Å; A788-L792 WeakPolarHBondContact O-CB 3.33Å; A788-L792 PolarHBondContact O-N 3.47Å; L789-L792 PolarHBondContact O-N 2.93Å; L792-H796 WeakPolarHBondContact O-CB 3.38Å; L792-H796 PolarHBondContact O-N 3.32Å
793	L	86.5	Confident	85.2	Confident	83 Å²	83	71.1 Å²	71.1	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-68.6	-40.3	179.7	-68.7	172.8	0	0	0	111.7	L789 K791 H796 C797	L789-L793 VanDerWaalsContact O-CB 3.31Å; L789-L793 WeakPolarHBondContact O-CB 3.22Å; L789-L793 VanDerWaalsContact O-CG 3.23Å; L789-L793 WeakPolarHBondContact O-CG 3.24Å; L789-L793 PolarHBondContact O-N 3.42Å; K791-L793 PolarHBondContact O-N 2.88Å; L793-H796 PolarHBondContact O-N 3.15Å; L793-C797 WeakPolarHBondContact O-CB 3.33Å; L793-C797 PolarHBondContact O-N 3.23Å; L793-C797 PolarHBondContact O-SG 3.12Å
794	L	88.8	Confident	86.1	Confident	95 Å²	95	74 Å²	74	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-46.2	176.6	-178.8	65.7	0	0	0	110.9	L790 K791 C797 I798	L790-L794 WeakPolarHBondContact O-CB 3.44Å; L790-L794 PolarHBondContact O-N 2.97Å; K791-L794 PolarHBondContact O-N 2.91Å; L794-C797 WeakPolarHBondContact O-CB 3.4Å; L794-C797 PolarHBondContact O-N 2.85Å; L794-I798 HydrophobicContact CG-CD1 4.19Å; L794-I798 VanDerWaalsContact O-CG1 3.32Å; L794-I798 WeakPolarHBondContact O-CG1 3.35Å; L794-I798 PolarHBondContact O-N 2.79Å
795	D	86.5	Confident	86.8	Confident	10 Å²	10	71 Å²	71	5%	0.053	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-46.8	177.7	-70	-12.5	0	0	0	109.9	M765 K791 C797 I798 R799	M765-D795 HydrophobicContact CE-CB 4.15Å; M765-D795 WeakPolarHBondContact CE-O 3.36Å; M765-D795 HydrophobicContact CG-CB 4.39Å; M765-D795 HydrophobicContact SD-CB 4.49Å; K791-D795 WeakPolarHBondContact CD-OD2 3.41Å; K791-D795 WeakPolarHBondContact CE-OD1 3.45Å; K791-D795 WeakPolarHBondContact CE-OD2 3.43Å; K791-D795 VanDerWaalsContact NZ-CG 3.28Å; K791-D795 IonicContact NZ-OD1 3.73Å; K791-D795 PolarHBondContact NZ-OD1 3.47Å; K791-D795 IonicContact NZ-OD2 3.39Å; K791-D795 PolarHBondContact NZ-OD2 2.78Å; K791-D795 WeakPolarHBondContact O-CB 3.45Å; K791-D795 VanDerWaalsContact O-CG 3.28Å; K791-D795 PolarHBondContact O-N 2.83Å; D795-C797 VanDerWaalsContact C-N 3.3Å; D795-C797 PolarHBondContact O-N 2.82Å; D795-I798 CarbonylContact O-C 2.86Å; D795-I798 WeakPolarHBondContact O-CA 3.32Å; D795-I798 WeakPolarHBondContact O-CB 3.37Å; D795-I798 PolarHBondContact O-N 3.01Å; D795-R799 PolarHBondContact O-N 3.41Å
796	H	86.5	Confident	87.2	Confident	32 Å²	32	71.7 Å²	71.7	15%	0.148	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-39.2	175.5	-175.2	65.5	0	0	0	113.3	G764 P769 L792 L793 I798 R799 I800	G764-H796 PolarHBondContact O-N 3.22Å; P769-H796 VanDerWaalsContact CD-CE1 3.41Å; P769-H796 WeakPolarHBondContact CD-CE1 3.36Å; P769-H796 WeakPolarHBondContact CD-ND1 3.34Å; P769-H796 HydrophobicContact CG-CB 3.39Å; L792-H796 WeakPolarHBondContact O-CB 3.38Å; L792-H796 PolarHBondContact O-N 3.32Å; L793-H796 PolarHBondContact O-N 3.15Å; H796-I798 VanDerWaalsContact C-N 3.32Å; H796-I798 PolarHBondContact O-N 2.79Å; H796-R799 PolarHBondContact CE1-NH2 2.99Å; H796-R799 WeakPolarHBondContact O-CB 3.05Å; H796-R799 PolarHBondContact O-N 2.91Å; H796-I800 VanDerWaalsContact NE2-CD1 3.27Å; H796-I800 WeakPolarHBondContact NE2-CD1 3.35Å; H796-I800 WeakPolarHBondContact O-CG1 3.43Å; H796-I800 PolarHBondContact O-N 3.17Å
797	C	88.5	Confident	87.6	Confident	78 Å²	78	72.9 Å²	72.9	53%	0.527	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-40.3	172.7	-76.5	0	0	0	0	112	L793 L794 D795 N801	L793-C797 WeakPolarHBondContact O-CB 3.33Å; L793-C797 PolarHBondContact O-N 3.23Å; L793-C797 PolarHBondContact O-SG 3.12Å; L794-C797 WeakPolarHBondContact O-CB 3.4Å; L794-C797 PolarHBondContact O-N 2.85Å; D795-C797 VanDerWaalsContact C-N 3.3Å; D795-C797 PolarHBondContact O-N 2.82Å; C797-N801 WeakPolarHBondContact O-CB 3.4Å; C797-N801 PolarHBondContact O-N 3.47Å
798	I	88.1	Confident	87.9	Confident	73 Å²	73	75.8 Å²	75.8	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-44.8	174.4	-67.3	164.4	0	0	0	110	M765 L794 D795 H796 I800 N801 I802	M765-I798 HydrophobicContact CE-CB 4.28Å; M765-I798 HydrophobicContact CE-CG2 4.36Å; L794-I798 HydrophobicContact CG-CD1 4.19Å; L794-I798 VanDerWaalsContact O-CG1 3.32Å; L794-I798 WeakPolarHBondContact O-CG1 3.35Å; L794-I798 PolarHBondContact O-N 2.79Å; D795-I798 CarbonylContact O-C 2.86Å; D795-I798 WeakPolarHBondContact O-CA 3.32Å; D795-I798 WeakPolarHBondContact O-CB 3.37Å; D795-I798 PolarHBondContact O-N 3.01Å; H796-I798 VanDerWaalsContact C-N 3.32Å; H796-I798 PolarHBondContact O-N 2.79Å; I798-I800 PolarHBondContact O-N 2.84Å; I798-N801 WeakPolarHBondContact O-CB 3.44Å; I798-N801 PolarHBondContact O-N 3.15Å; I798-N801 VanDerWaalsContact O-N 3.13Å; I798-I802 HydrophobicContact CG2-CD1 3.73Å; I798-I802 HydrophobicContact CG2-CG1 4.29Å; I798-I802 WeakPolarHBondContact O-CG1 3.48Å; I798-I802 PolarHBondContact O-N 3.08Å
799	R	86.8	Confident	88.3	Confident	45 Å²	45	80.6 Å²	80.6	17%	0.17	40%	0.397	C	S	.	.	H	α-helix	trans	-55.6	-53.9	177.3	-166.8	174.9	79.1	-173.4	-0.9	111.4	M765 H766 V767 D795 H796 N801 I802 E803	M765-R799 HydrophobicContact CE-CB 3.53Å; M765-R799 HydrophobicContact CE-CG 4.35Å; M765-R799 WeakPolarHBondContact O-CD 3.33Å; M765-R799 PolarHBondContact O-NH1 2.92Å; H766-R799 PolarHBondContact O-NH1 2.87Å; H766-R799 VanDerWaalsContact O-NH1 3.15Å; V767-R799 PolarHBondContact O-NH1 3.29Å; D795-R799 PolarHBondContact O-N 3.41Å; H796-R799 PolarHBondContact CE1-NH2 2.99Å; H796-R799 WeakPolarHBondContact O-CB 3.05Å; H796-R799 PolarHBondContact O-N 2.91Å; R799-N801 PolarHBondContact O-N 2.76Å; R799-I802 PolarHBondContact O-N 2.88Å; R799-I802 VanDerWaalsContact O-N 3.17Å; R799-E803 HydrophobicContact CG-CG 4.46Å; R799-E803 WeakPolarHBondContact CG-OE1 3.32Å; R799-E803 IonicContact NE-OE1 2.85Å; R799-E803 WeakPolarHBondContact O-CG 3.39Å; R799-E803 PolarHBondContact O-N 2.84Å
800	I	87.6	Confident	88.7	Confident	56 Å²	56	82.2 Å²	82.2	29%	0.287	41%	0.409	S	S	.	.	H	α-helix	trans	-59.2	-37.7	179.8	-70.1	170.3	0	0	0	110.6	H796 I798 K804	H796-I800 VanDerWaalsContact NE2-CD1 3.27Å; H796-I800 WeakPolarHBondContact NE2-CD1 3.35Å; H796-I800 WeakPolarHBondContact O-CG1 3.43Å; H796-I800 PolarHBondContact O-N 3.17Å; I798-I800 PolarHBondContact O-N 2.84Å; I800-K804 HydrophobicContact CG2-CD 3.92Å; I800-K804 HydrophobicContact CG2-CG 4.38Å; I800-K804 VanDerWaalsContact O-CB 3.29Å; I800-K804 WeakPolarHBondContact O-CB 3.26Å; I800-K804 VanDerWaalsContact O-CG 3.23Å; I800-K804 WeakPolarHBondContact O-CG 3.49Å; I800-K804 PolarHBondContact O-N 3.43Å
801	N	90.2	Very high	89.1	Confident	90 Å²	90	82.3 Å²	82.3	48%	0.481	41%	0.409	S	S	.	.	H	α-helix	trans	-68.6	-44.5	179	-160.9	-21.4	0	0	0	111.3	C797 I798 R799 K804 N805	C797-N801 WeakPolarHBondContact O-CB 3.4Å; C797-N801 PolarHBondContact O-N 3.47Å; I798-N801 WeakPolarHBondContact O-CB 3.44Å; I798-N801 PolarHBondContact O-N 3.15Å; I798-N801 VanDerWaalsContact O-N 3.13Å; R799-N801 PolarHBondContact O-N 2.76Å; N801-K804 PolarHBondContact O-N 2.94Å; N801-N805 WeakPolarHBondContact O-CB 3.47Å; N801-N805 VanDerWaalsContact O-CG 3.24Å; N801-N805 PolarHBondContact O-N 2.77Å; N801-N805 PolarHBondContact O-ND2 3.03Å; N801-N805 VanDerWaalsContact O-ND2 3.15Å; N801-N805 PolarHBondContact OD1-ND2 2.95Å
802	I	88.9	Confident	89.3	Confident	93 Å²	93	81.9 Å²	81.9	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-60	-50.6	174.3	-67.9	171.4	0	0	0	110	I798 R799 K804 N805 C806	I798-I802 HydrophobicContact CG2-CD1 3.73Å; I798-I802 HydrophobicContact CG2-CG1 4.29Å; I798-I802 WeakPolarHBondContact O-CG1 3.48Å; I798-I802 PolarHBondContact O-N 3.08Å; R799-I802 PolarHBondContact O-N 2.88Å; R799-I802 VanDerWaalsContact O-N 3.17Å; I802-K804 VanDerWaalsContact C-N 3.33Å; I802-K804 PolarHBondContact O-N 3.28Å; I802-N805 PolarHBondContact O-N 3.38Å; I802-N805 VanDerWaalsContact O-N 3.13Å; I802-C806 WeakPolarHBondContact O-CB 3.18Å; I802-C806 PolarHBondContact O-N 2.8Å; I802-C806 PolarHBondContact O-SG 3.41Å
803	E	88.1	Confident	89.6	Confident	107 Å²	107	85 Å²	85	50%	0.5	43%	0.434	S	S	.	.	H	α-helix	trans	-58	-43.7	177.8	-73.8	173.2	-175.7	0	0	112.2	R799 R807	R799-E803 HydrophobicContact CG-CG 4.46Å; R799-E803 WeakPolarHBondContact CG-OE1 3.32Å; R799-E803 IonicContact NE-OE1 2.85Å; R799-E803 WeakPolarHBondContact O-CG 3.39Å; R799-E803 PolarHBondContact O-N 2.84Å; E803-R807 VanDerWaalsContact O-CB 3.27Å; E803-R807 WeakPolarHBondContact O-CB 3.21Å; E803-R807 PolarHBondContact O-N 3.09Å
804	K	90.5	Very high	89.9	Confident	131 Å²	131	84.8 Å²	84.8	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-63.4	-41.1	175.8	-79	175.4	-178.9	173.7	0	112.1	I800 N801 I802 K808	I800-K804 HydrophobicContact CG2-CD 3.92Å; I800-K804 HydrophobicContact CG2-CG 4.38Å; I800-K804 VanDerWaalsContact O-CB 3.29Å; I800-K804 WeakPolarHBondContact O-CB 3.26Å; I800-K804 VanDerWaalsContact O-CG 3.23Å; I800-K804 WeakPolarHBondContact O-CG 3.49Å; I800-K804 PolarHBondContact O-N 3.43Å; N801-K804 PolarHBondContact O-N 2.94Å; I802-K804 VanDerWaalsContact C-N 3.33Å; I802-K804 PolarHBondContact O-N 3.28Å; K804-K808 WeakPolarHBondContact O-CG 3.37Å; K804-K808 PolarHBondContact O-N 3.08Å
805	N	91.7	Very high	90	Very high	65 Å²	65	86.4 Å²	86.4	35%	0.348	44%	0.443	S	S	.	.	H	α-helix	trans	-72.9	-44	179.8	-70.2	-28.9	0	0	0	111.6	N801 I802 R807 K808 I809	N801-N805 WeakPolarHBondContact O-CB 3.47Å; N801-N805 VanDerWaalsContact O-CG 3.24Å; N801-N805 PolarHBondContact O-N 2.77Å; N801-N805 PolarHBondContact O-ND2 3.03Å; N801-N805 VanDerWaalsContact O-ND2 3.15Å; N801-N805 PolarHBondContact OD1-ND2 2.95Å; I802-N805 PolarHBondContact O-N 3.38Å; I802-N805 VanDerWaalsContact O-N 3.13Å; N805-R807 VanDerWaalsContact C-N 3.32Å; N805-R807 PolarHBondContact O-N 3.5Å; N805-K808 WeakPolarHBondContact O-CB 3.37Å; N805-K808 PolarHBondContact O-N 2.89Å; N805-K808 VanDerWaalsContact O-N 3.14Å; N805-I809 VanDerWaalsContact O-CG1 3.28Å; N805-I809 WeakPolarHBondContact O-CG1 3.45Å; N805-I809 PolarHBondContact O-N 3.13Å
806	C	90.2	Very high	90.2	Very high	66 Å²	66	91.3 Å²	91.3	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-53.8	-52	170.9	-71.9	0	0	0	0	109.6	I802 K808 I809 T810	I802-C806 WeakPolarHBondContact O-CB 3.18Å; I802-C806 PolarHBondContact O-N 2.8Å; I802-C806 PolarHBondContact O-SG 3.41Å; C806-K808 VanDerWaalsContact C-N 3.32Å; C806-K808 PolarHBondContact O-N 3.36Å; C806-I809 PolarHBondContact O-N 3.34Å; C806-I809 VanDerWaalsContact O-N 3.12Å; C806-T810 PolarHBondContact O-N 3.07Å; C806-T810 PolarHBondContact O-OG1 3.3Å
807	R	92.4	Very high	90.3	Very high	184 Å²	184	94.2 Å²	94.2	69%	0.694	48%	0.477	S	S	*	.	H	α-helix	trans	-56.4	-42.3	176.8	-176.2	175.3	179.5	-118.2	-0.1	112.9	E803 N805 L811	E803-R807 VanDerWaalsContact O-CB 3.27Å; E803-R807 WeakPolarHBondContact O-CB 3.21Å; E803-R807 PolarHBondContact O-N 3.09Å; N805-R807 VanDerWaalsContact C-N 3.32Å; N805-R807 PolarHBondContact O-N 3.5Å; R807-L811 HydrophobicContact CG-CD1 4.24Å; R807-L811 WeakPolarHBondContact O-CB 3.28Å; R807-L811 PolarHBondContact O-N 2.64Å
808	K	91.1	Very high	90.4	Very high	144 Å²	144	94.6 Å²	94.6	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-64	-45.5	176.1	-78.3	175.9	-179.1	177.9	0	112.2	K804 N805 C806 L811 S812	K804-K808 WeakPolarHBondContact O-CG 3.37Å; K804-K808 PolarHBondContact O-N 3.08Å; N805-K808 WeakPolarHBondContact O-CB 3.37Å; N805-K808 PolarHBondContact O-N 2.89Å; N805-K808 VanDerWaalsContact O-N 3.14Å; C806-K808 VanDerWaalsContact C-N 3.32Å; C806-K808 PolarHBondContact O-N 3.36Å; K808-L811 PolarHBondContact O-N 3.38Å; K808-S812 WeakPolarHBondContact O-CB 3.29Å; K808-S812 PolarHBondContact O-N 3.34Å
809	I	91.1	Very high	90.3	Very high	102 Å²	102	93.9 Å²	93.9	52%	0.523	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-48.5	178.7	-67.7	165.1	0	0	0	109.4	N805 C806 L811 S812 D813	N805-I809 VanDerWaalsContact O-CG1 3.28Å; N805-I809 WeakPolarHBondContact O-CG1 3.45Å; N805-I809 PolarHBondContact O-N 3.13Å; C806-I809 PolarHBondContact O-N 3.34Å; C806-I809 VanDerWaalsContact O-N 3.12Å; I809-L811 VanDerWaalsContact C-N 3.31Å; I809-L811 PolarHBondContact O-N 2.83Å; I809-S812 CarbonylContact O-C 3.51Å; I809-S812 WeakPolarHBondContact O-CA 3.28Å; I809-S812 WeakPolarHBondContact O-CB 3.27Å; I809-S812 PolarHBondContact O-N 3.25Å; I809-S812 VanDerWaalsContact O-N 3.08Å; I809-D813 PolarHBondContact O-N 3.16Å
810	T	92.7	Very high	90.1	Very high	83 Å²	83	96 Å²	96	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-60.2	-41.2	177.8	-39.4	0	0	0	0	111.4	C806 D813 C814	C806-T810 PolarHBondContact O-N 3.07Å; C806-T810 PolarHBondContact O-OG1 3.3Å; T810-D813 PolarHBondContact O-N 3.24Å; T810-C814 WeakPolarHBondContact O-CB 3.47Å; T810-C814 PolarHBondContact O-N 3.39Å; T810-C814 PolarHBondContact O-SG 2.86Å
811	L	92.4	Very high	89.8	Confident	104 Å²	104	99.7 Å²	99.7	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-42.1	174.1	-111.8	139.5	0	0	0	112.4	R807 K808 I809 C814 H815	R807-L811 HydrophobicContact CG-CD1 4.24Å; R807-L811 WeakPolarHBondContact O-CB 3.28Å; R807-L811 PolarHBondContact O-N 2.64Å; K808-L811 PolarHBondContact O-N 3.38Å; I809-L811 VanDerWaalsContact C-N 3.31Å; I809-L811 PolarHBondContact O-N 2.83Å; L811-C814 PolarHBondContact O-N 2.79Å; L811-H815 WeakPolarHBondContact O-CB 3.49Å; L811-H815 PolarHBondContact O-N 2.88Å
812	S	90.8	Very high	89.5	Confident	79 Å²	79	100.3 Å²	100.3	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-63.3	-44.2	175.8	-176.2	0	0	0	0	111.5	K808 I809 H815 R816	K808-S812 WeakPolarHBondContact O-CB 3.29Å; K808-S812 PolarHBondContact O-N 3.34Å; I809-S812 CarbonylContact O-C 3.51Å; I809-S812 WeakPolarHBondContact O-CA 3.28Å; I809-S812 WeakPolarHBondContact O-CB 3.27Å; I809-S812 PolarHBondContact O-N 3.25Å; I809-S812 VanDerWaalsContact O-N 3.08Å; S812-H815 PolarHBondContact O-N 3.2Å; S812-R816 WeakPolarHBondContact O-CB 3.45Å; S812-R816 PolarHBondContact O-N 3.38Å
813	D	92	Very high	89.1	Confident	64 Å²	64	102 Å²	102	34%	0.342	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-43.7	176.9	-85.5	-34	0	0	0	111.6	I809 T810 H815 R816 L817	I809-D813 PolarHBondContact O-N 3.16Å; T810-D813 PolarHBondContact O-N 3.24Å; D813-H815 VanDerWaalsContact C-N 3.28Å; D813-H815 PolarHBondContact O-N 2.98Å; D813-R816 PolarHBondContact O-N 3.07Å; D813-R816 IonicContact OD1-CZ 3.84Å; D813-R816 IonicContact OD1-NE 2.84Å; D813-R816 IonicContact OD1-NH2 3.6Å; D813-R816 PolarHBondContact OD1-NH2 3.1Å; D813-L817 VanDerWaalsContact O-CB 3.27Å; D813-L817 WeakPolarHBondContact O-CB 3.36Å; D813-L817 VanDerWaalsContact O-CG 3.22Å; D813-L817 WeakPolarHBondContact O-CG 3.35Å; D813-L817 PolarHBondContact O-N 3.37Å
814	C	92	Very high	88.3	Confident	80 Å²	80	104.5 Å²	104.5	54%	0.541	51%	0.507	S	S	.	.	H	α-helix	trans	-57.6	-42.8	172.9	-72.1	0	0	0	0	111.4	T810 L811 L818	T810-C814 WeakPolarHBondContact O-CB 3.47Å; T810-C814 PolarHBondContact O-N 3.39Å; T810-C814 PolarHBondContact O-SG 2.86Å; L811-C814 PolarHBondContact O-N 2.79Å; C814-L818 WeakPolarHBondContact O-CB 3.31Å; C814-L818 PolarHBondContact O-N 2.91Å
815	H	91	Very high	87.6	Confident	128 Å²	128	101.2 Å²	101.2	59%	0.593	50%	0.5	S	S	*	.	H	α-helix	trans	-66.2	-46.3	177.2	-174	72.4	0	0	0	112.1	L811 S812 D813 L818 T819	L811-H815 WeakPolarHBondContact O-CB 3.49Å; L811-H815 PolarHBondContact O-N 2.88Å; S812-H815 PolarHBondContact O-N 3.2Å; D813-H815 VanDerWaalsContact C-N 3.28Å; D813-H815 PolarHBondContact O-N 2.98Å; H815-L818 PolarHBondContact O-N 3.04Å; H815-T819 PolarHBondContact O-N 2.84Å; H815-T819 PolarHBondContact O-OG1 2.88Å; H815-T819 VanDerWaalsContact O-OG1 3.06Å
816	R	90.6	Very high	86.9	Confident	114 Å²	114	106.6 Å²	106.6	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-60.1	-51	177.6	-178.7	-178.4	62.7	79.9	0	111.4	S812 D813 L818 T819 E820	S812-R816 WeakPolarHBondContact O-CB 3.45Å; S812-R816 PolarHBondContact O-N 3.38Å; D813-R816 PolarHBondContact O-N 3.07Å; D813-R816 IonicContact OD1-CZ 3.84Å; D813-R816 IonicContact OD1-NE 2.84Å; D813-R816 IonicContact OD1-NH2 3.6Å; D813-R816 PolarHBondContact OD1-NH2 3.1Å; R816-L818 VanDerWaalsContact C-N 3.27Å; R816-L818 PolarHBondContact O-N 3.33Å; R816-T819 PolarHBondContact O-N 3.22Å; R816-T819 VanDerWaalsContact O-N 3.15Å; R816-E820 WeakPolarHBondContact CG-OE1 3.47Å; R816-E820 IonicContact CZ-OE1 3.04Å; R816-E820 IonicContact NH1-OE1 3.49Å; R816-E820 PolarHBondContact NH1-OE1 3.5Å; R816-E820 IonicContact NH1-OE2 3.16Å; R816-E820 PolarHBondContact NH1-OE2 3.49Å; R816-E820 WeakPolarHBondContact O-CG 3.44Å; R816-E820 PolarHBondContact O-N 2.92Å
817	L	90	Very high	86.3	Confident	93 Å²	93	107 Å²	107	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-36.7	178.6	-70	170.9	0	0	0	111.5	D813 Y821	D813-L817 VanDerWaalsContact O-CB 3.27Å; D813-L817 WeakPolarHBondContact O-CB 3.36Å; D813-L817 VanDerWaalsContact O-CG 3.22Å; D813-L817 WeakPolarHBondContact O-CG 3.35Å; D813-L817 PolarHBondContact O-N 3.37Å; L817-Y821 VanDerWaalsContact O-CB 3.24Å; L817-Y821 WeakPolarHBondContact O-CB 3.3Å; L817-Y821 PolarHBondContact O-N 2.72Å
818	L	89.6	Confident	85.6	Confident	86 Å²	86	108.8 Å²	108.8	45%	0.45	53%	0.528	S	S	.	.	H	α-helix	trans	-67.1	-42.5	174.1	-177.1	65.6	0	0	0	112	C814 H815 R816 Y821 M822	C814-L818 WeakPolarHBondContact O-CB 3.31Å; C814-L818 PolarHBondContact O-N 2.91Å; H815-L818 PolarHBondContact O-N 3.04Å; R816-L818 VanDerWaalsContact C-N 3.27Å; R816-L818 PolarHBondContact O-N 3.33Å; L818-Y821 WeakPolarHBondContact O-CB 3.25Å; L818-Y821 PolarHBondContact O-N 2.77Å; L818-M822 HydrophobicContact CD1-CE 4.16Å; L818-M822 HydrophobicContact CD2-CE 4.28Å; L818-M822 HydrophobicContact CG-CE 4.1Å; L818-M822 WeakPolarHBondContact O-CG 3.38Å; L818-M822 PolarHBondContact O-N 2.89Å
819	T	87.1	Confident	85	Confident	57 Å²	57	104 Å²	104	35%	0.35	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-46.1	176.3	-60.3	0	0	0	0	111.1	H815 R816 Y821 M822 E823	H815-T819 PolarHBondContact O-N 2.84Å; H815-T819 PolarHBondContact O-OG1 2.88Å; H815-T819 VanDerWaalsContact O-OG1 3.06Å; R816-T819 PolarHBondContact O-N 3.22Å; R816-T819 VanDerWaalsContact O-N 3.15Å; T819-Y821 VanDerWaalsContact C-N 3.31Å; T819-Y821 PolarHBondContact O-N 3.3Å; T819-M822 PolarHBondContact O-N 3.4Å; T819-M822 VanDerWaalsContact O-N 3.15Å; T819-E823 PolarHBondContact O-N 2.69Å
820	E	82.1	Confident	84.5	Confident	91 Å²	91	103.7 Å²	103.7	43%	0.425	51%	0.513	S	S	.	.	H	α-helix	trans	-58.3	-43.4	174.2	-75.2	173	-167.2	0	0	111.3	R816 E823 R824	R816-E820 WeakPolarHBondContact CG-OE1 3.47Å; R816-E820 IonicContact CZ-OE1 3.04Å; R816-E820 IonicContact NH1-OE1 3.49Å; R816-E820 PolarHBondContact NH1-OE1 3.5Å; R816-E820 IonicContact NH1-OE2 3.16Å; R816-E820 PolarHBondContact NH1-OE2 3.49Å; R816-E820 WeakPolarHBondContact O-CG 3.44Å; R816-E820 PolarHBondContact O-N 2.92Å; E820-E823 PolarHBondContact O-N 3.12Å; E820-R824 WeakPolarHBondContact O-CB 3.26Å; E820-R824 PolarHBondContact O-N 2.83Å
821	Y	80.9	Confident	83.8	Confident	133 Å²	133	102 Å²	102	52%	0.522	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-45.7	174.2	178.7	-98	0	0	0	111.9	L817 L818 T819 R824 C825 N859	L817-Y821 VanDerWaalsContact O-CB 3.24Å; L817-Y821 WeakPolarHBondContact O-CB 3.3Å; L817-Y821 PolarHBondContact O-N 2.72Å; L818-Y821 WeakPolarHBondContact O-CB 3.25Å; L818-Y821 PolarHBondContact O-N 2.77Å; T819-Y821 VanDerWaalsContact C-N 3.31Å; T819-Y821 PolarHBondContact O-N 3.3Å; Y821-R824 PolarHBondContact O-N 2.86Å; Y821-C825 WeakPolarHBondContact O-CB 3.49Å; Y821-C825 PolarHBondContact O-N 3.38Å; Y821-C825 PolarHBondContact O-SG 2.87Å; Y821-C825 VanDerWaalsContact O-SG 3.33Å; Y821-N859 PolarHBondContact OH-ND2 3.11Å
822	M	83.3	Confident	83.1	Confident	102 Å²	102	100.6 Å²	100.6	50%	0.502	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-40.2	178.3	-74.4	-164.8	-174.4	0	0	113.1	L818 T819 C825 K826	L818-M822 HydrophobicContact CD1-CE 4.16Å; L818-M822 HydrophobicContact CD2-CE 4.28Å; L818-M822 HydrophobicContact CG-CE 4.1Å; L818-M822 WeakPolarHBondContact O-CG 3.38Å; L818-M822 PolarHBondContact O-N 2.89Å; T819-M822 PolarHBondContact O-N 3.4Å; T819-M822 VanDerWaalsContact O-N 3.15Å; M822-C825 PolarHBondContact O-N 3.11Å; M822-K826 WeakPolarHBondContact O-CG 3.39Å; M822-K826 PolarHBondContact O-N 2.71Å; M822-K826 VanDerWaalsContact O-N 3.17Å
823	E	81	Confident	82.2	Confident	128 Å²	128	99.5 Å²	99.5	60%	0.598	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-45.2	175	-75.2	-168.8	165.8	0	0	111	T819 E820 C825 K826 T827	T819-E823 PolarHBondContact O-N 2.69Å; E820-E823 PolarHBondContact O-N 3.12Å; E823-C825 VanDerWaalsContact C-N 3.32Å; E823-C825 PolarHBondContact O-N 3.37Å; E823-K826 WeakPolarHBondContact O-CB 3.29Å; E823-K826 PolarHBondContact O-N 2.95Å; E823-T827 PolarHBondContact O-N 3.28Å
824	R	72.3	Confident	81.6	Confident	160 Å²	160	99 Å²	99	60%	0.604	51%	0.507	S	S	*	.	H	α-helix	trans	-60.6	-41.6	176.4	-159.7	166.9	179.1	173.1	-0.9	111.5	E820 Y821 K826 T827	E820-R824 WeakPolarHBondContact O-CB 3.26Å; E820-R824 PolarHBondContact O-N 2.83Å; Y821-R824 PolarHBondContact O-N 2.86Å; R824-K826 PolarHBondContact O-N 3.3Å; R824-T827 PolarHBondContact O-N 3.09Å; R824-T827 PolarHBondContact O-OG1 3.07Å
825	C	74.7	Confident	81.1	Confident	62 Å²	62	98.1 Å²	98.1	42%	0.419	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-22.9	173.5	-73.9	0	0	0	0	114.4	Y821 M822 E823	Y821-C825 WeakPolarHBondContact O-CB 3.49Å; Y821-C825 PolarHBondContact O-N 3.38Å; Y821-C825 PolarHBondContact O-SG 2.87Å; Y821-C825 VanDerWaalsContact O-SG 3.33Å; M822-C825 PolarHBondContact O-N 3.11Å; E823-C825 VanDerWaalsContact C-N 3.32Å; E823-C825 PolarHBondContact O-N 3.37Å
826	K	78.3	Confident	80.9	Confident	179 Å²	179	96.2 Å²	96.2	78%	0.778	49%	0.492	S	S	*	.	H	α-helix	trans	-85.3	-11.1	176.8	-73	175.1	-176.9	175.4	0	113.9	M822 E823 R824	M822-K826 WeakPolarHBondContact O-CG 3.39Å; M822-K826 PolarHBondContact O-N 2.71Å; M822-K826 VanDerWaalsContact O-N 3.17Å; E823-K826 WeakPolarHBondContact O-CB 3.29Å; E823-K826 PolarHBondContact O-N 2.95Å; R824-K826 PolarHBondContact O-N 3.3Å
827	T	76.7	Confident	80.7	Confident	74 Å²	74	90.9 Å²	90.9	45%	0.454	47%	0.472	S	S	.	.	S	Bend	trans	-74.4	140.8	-178.1	62.4	0	0	0	0	111.5	E823 R824 H861	E823-T827 PolarHBondContact O-N 3.28Å; R824-T827 PolarHBondContact O-N 3.09Å; R824-T827 PolarHBondContact O-OG1 3.07Å; T827-H861 PolarHBondContact OG1-CE1 3.32Å; T827-H861 PolarHBondContact OG1-NE2 2.93Å
828	R	78.4	Confident	80.3	Confident	221 Å²	221	91 Å²	91	83%	0.834	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-75.6	134.4	176.2	65.4	-177.7	180	-172.6	-1.2	110.6	V830	R828-V830 HydrophobicContact CG-CG2 4.26Å
829	T	78.4	Confident	80	Confident	44 Å²	44	90.7 Å²	90.7	27%	0.27	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-86.7	117.9	164.5	-50.9	0	0	0	0	108.4	I857 H861 V863	T829-I857 HydrophobicContact CG2-CG2 4.07Å; T829-H861 HydrophobicContact CG2-CB 4.01Å; T829-H861 WeakPolarHBondContact CG2-O 3.38Å; T829-H861 PolarHBondContact OG1-ND1 2.7Å; T829-V863 HydrophobicContact CG2-CG2 3.78Å
830	V	80.9	Confident	79.9	Confident	95 Å²	95	90.1 Å²	90.1	58%	0.576	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-91.3	127.7	176	-178.8	0	0	0	0	108.3	R828 T832	R828-V830 HydrophobicContact CG-CG2 4.26Å; V830-T832 HydrophobicContact CG1-CG2 4.17Å
831	I	76.7	Confident	80	Confident	49 Å²	49	93.2 Å²	93.2	25%	0.251	49%	0.487	S	S	.	.			trans	-115.5	121.9	173.6	-50.8	166.9	0	0	0	106.4	D835 L844 V845 L855 I857 V863	I831-D835 HydrophobicContact CG2-CB 4.25Å; I831-L844 HydrophobicContact CG2-CB 4.05Å; I831-L844 HydrophobicContact CG2-CD1 4.26Å; I831-V845 HydrophobicContact CB-CG2 4.5Å; I831-V845 HydrophobicContact CG2-CG2 3.68Å; I831-L855 HydrophobicContact CD1-CD1 3.81Å; I831-I857 HydrophobicContact CD1-CD1 3.99Å; I831-V863 HydrophobicContact CD1-CB 4.45Å; I831-V863 HydrophobicContact CD1-CG1 3.82Å; I831-V863 HydrophobicContact CD1-CG2 4.08Å; I831-V863 HydrophobicContact CG1-CG2 4.09Å
832	T	77.7	Confident	80	Confident	73 Å²	73	91.5 Å²	91.5	45%	0.448	48%	0.483	S	S	.	.			trans	-101.2	160.7	179.2	67.3	0	0	0	0	110.2	V830 G834 D835	V830-T832 HydrophobicContact CG1-CG2 4.17Å; T832-G834 PolarHBondContact O-N 2.96Å; T832-D835 PolarHBondContact N-OD2 3.28Å; T832-D835 PolarHBondContact O-N 2.77Å; T832-D835 VanDerWaalsContact O-N 3.08Å; T832-D835 VanDerWaalsContact OG1-CG 3.27Å; T832-D835 PolarHBondContact OG1-OD2 3.22Å
833	G	72.1	Confident	80	Confident	56 Å²	56	88 Å²	88	58%	0.577	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	3.3	178.2	0	0	0	0	0	114.7	N843	G833-N843 PolarHBondContact O-ND2 2.85Å; G833-N843 PolarHBondContact O-OD1 2.82Å
834	G	80.1	Confident	80	Confident	53 Å²	53	82.5 Å²	82.5	55%	0.546	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-2.6	172.2	0	0	0	0	0	113.8	T832 D836	T832-G834 PolarHBondContact O-N 2.96Å; G834-D836 PolarHBondContact O-N 3.23Å
835	D	81.1	Confident	80.2	Confident	63 Å²	63	78.2 Å²	78.2	34%	0.337	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-81.9	121.1	-177.9	-65.4	-45.9	0	0	0	110.2	I831 T832 L844	I831-D835 HydrophobicContact CG2-CB 4.25Å; T832-D835 PolarHBondContact N-OD2 3.28Å; T832-D835 PolarHBondContact O-N 2.77Å; T832-D835 VanDerWaalsContact O-N 3.08Å; T832-D835 VanDerWaalsContact OG1-CG 3.27Å; T832-D835 PolarHBondContact OG1-OD2 3.22Å; D835-L844 HydrophobicContact CB-CD1 3.91Å; D835-L844 VanDerWaalsContact O-CB 3.25Å; D835-L844 WeakPolarHBondContact O-CB 3.4Å; D835-L844 WeakPolarHBondContact O-CG 3.34Å; D835-L844 PolarHBondContact O-N 3.15Å
836	D	86.9	Confident	80	Confident	88 Å²	88	78.1 Å²	78.1	47%	0.471	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-101	148.4	-179.2	-61.3	-35	0	0	0	111.7	G834 V838 N843	G834-D836 PolarHBondContact O-N 3.23Å; D836-V838 PolarHBondContact O-N 3.22Å; D836-N843 WeakPolarHBondContact OD1-CA 3.23Å; D836-N843 PolarHBondContact OD1-N 3.03Å; D836-N843 PolarHBondContact OD1-ND2 2.95Å
837	C	85.5	Confident	79.4	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.007	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-70.5	122.8	175.3	177.6	0	0	0	0	109.6	I839 C840 Q841 E842 L844 H865	C837-I839 PolarHBondContact O-N 3.07Å; C837-C840 VanDerWaalsContact CB-SG 3.55Å; C837-C840 PolarHBondContact O-N 3.04Å; C837-Q841 WeakPolarHBondContact O-CA 3.5Å; C837-Q841 PolarHBondContact O-N 3.09Å; C837-E842 PolarHBondContact N-O 3.35Å; C837-L844 HydrophobicContact CB-CD2 3.64Å; C837-L844 HydrophobicContact CB-CG 4.31Å; C837-H865 VanDerWaalsContact CB-CE1 3.41Å; C837-H865 WeakPolarHBondContact CB-CE1 3.5Å; C837-H865 VanDerWaalsContact CB-ND1 3.26Å; C837-H865 WeakPolarHBondContact CB-ND1 3.46Å
838	V	83.3	Confident	78.8	Confident	95 Å²	95	80.6 Å²	80.6	58%	0.576	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	-178.3	-179.9	0	0	0	0	113.2	D836 F864	D836-V838 PolarHBondContact O-N 3.22Å; V838-F864 HydrophobicContact CB-CE1 4.12Å; V838-F864 HydrophobicContact CG2-CE1 4.4Å
839	I	83.2	Confident	77.9	Confident	80 Å²	80	75.7 Å²	75.7	41%	0.41	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-47.6	-175.1	-59.4	172.1	0	0	0	112.2	C837 F864 C868 P876	C837-I839 PolarHBondContact O-N 3.07Å; I839-F864 HydrophobicContact CD1-CD1 3.92Å; I839-F864 HydrophobicContact CG1-CD1 4.06Å; I839-F864 HydrophobicContact CG1-CE1 4.47Å; I839-C868 HydrophobicContact CB-CB 3.78Å; I839-C868 HydrophobicContact CD1-CB 3.79Å; I839-C868 HydrophobicContact CG1-CB 4.35Å; I839-C868 HydrophobicContact CG2-CB 3.82Å; I839-P876 HydrophobicContact CD1-CG 4.29Å
840	C	84.4	Confident	76.8	Confident	46 Å²	46	83 Å²	83	31%	0.311	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.1	-178.9	66.2	0	0	0	0	114.1	C837 E842 H865 C868	C837-C840 VanDerWaalsContact CB-SG 3.55Å; C837-C840 PolarHBondContact O-N 3.04Å; C840-E842 PolarHBondContact O-N 2.99Å; C840-E842 VanDerWaalsContact O-N 3.12Å; C840-H865 VanDerWaalsContact SG-CE1 3.56Å; C840-H865 PolarHBondContact SG-ND1 3.4Å; C840-C868 VanDerWaalsContact SG-SG 3.61Å
841	Q	83.5	Confident	75.7	Confident	156 Å²	156	85.6 Å²	85.6	73%	0.729	46%	0.46	S	S	*	.			trans	56.7	19.2	-176.2	-58.3	-179.3	-6.3	0	0	114.4	C837	C837-Q841 WeakPolarHBondContact O-CA 3.5Å; C837-Q841 PolarHBondContact O-N 3.09Å
842	E	82.5	Confident	74.6	Confident	96 Å²	96	88.8 Å²	88.8	45%	0.449	49%	0.487	S	S	.	.	S	Bend	trans	-96.8	151.4	171.6	-64.1	-178.5	133	0	0	110	C837 C840 L844 R853 H865	C837-E842 PolarHBondContact N-O 3.35Å; C840-E842 PolarHBondContact O-N 2.99Å; C840-E842 VanDerWaalsContact O-N 3.12Å; E842-L844 PolarHBondContact O-N 2.8Å; E842-R853 IonicContact OE1-NH2 2.7Å; E842-R853 IonicContact OE2-CZ 2.78Å; E842-R853 IonicContact OE2-NH1 3.59Å; E842-R853 PolarHBondContact OE2-NH1 2.98Å; E842-R853 IonicContact OE2-NH2 3.23Å; E842-R853 PolarHBondContact OE2-NH2 3.42Å; E842-H865 PolarHBondContact O-CE1 3.3Å
843	N	83.4	Confident	74.3	Confident	30 Å²	30	89.7 Å²	89.7	16%	0.16	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-54.6	131	-179.4	-154.6	-77.3	0	0	0	112.6	G833 D836 V845 N846 H865	G833-N843 PolarHBondContact O-ND2 2.85Å; G833-N843 PolarHBondContact O-OD1 2.82Å; D836-N843 WeakPolarHBondContact OD1-CA 3.23Å; D836-N843 PolarHBondContact OD1-N 3.03Å; D836-N843 PolarHBondContact OD1-ND2 2.95Å; N843-V845 PolarHBondContact O-N 3.48Å; N843-V845 PolarHBondContact OD1-N 2.84Å; N843-V845 PolarHBondContact OD1-O 2.83Å; N843-N846 HydrophobicContact CB-CB 4.18Å; N843-H865 PolarHBondContact O-CE1 2.96Å; N843-H865 PolarHBondContact O-NE2 2.82Å
844	L	79.4	Confident	74.8	Confident	11 Å²	11	93.5 Å²	93.5	6%	0.058	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.7	176.9	-70.6	169.3	0	0	0	110.4	I831 D835 C837 E842 L855 V863 H865	I831-L844 HydrophobicContact CG2-CB 4.05Å; I831-L844 HydrophobicContact CG2-CD1 4.26Å; D835-L844 HydrophobicContact CB-CD1 3.91Å; D835-L844 VanDerWaalsContact O-CB 3.25Å; D835-L844 WeakPolarHBondContact O-CB 3.4Å; D835-L844 WeakPolarHBondContact O-CG 3.34Å; D835-L844 PolarHBondContact O-N 3.15Å; C837-L844 HydrophobicContact CB-CD2 3.64Å; C837-L844 HydrophobicContact CB-CG 4.31Å; E842-L844 PolarHBondContact O-N 2.8Å; L844-L855 HydrophobicContact CB-CD1 4.37Å; L844-L855 HydrophobicContact CB-CD2 4.24Å; L844-L855 HydrophobicContact CD2-CD2 3.78Å; L844-V863 HydrophobicContact CD1-CB 3.91Å; L844-V863 HydrophobicContact CD1-CG1 4.09Å; L844-V863 HydrophobicContact CD2-CG1 4.2Å; L844-H865 WeakPolarHBondContact CA-NE2 3.44Å
845	V	76.6	Confident	75	Confident	71 Å²	71	93.7 Å²	93.7	43%	0.43	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	78.4	-179.3	-170.4	0	0	0	0	109.5	I831 N843 P847 L855	I831-V845 HydrophobicContact CB-CG2 4.5Å; I831-V845 HydrophobicContact CG2-CG2 3.68Å; N843-V845 PolarHBondContact O-N 3.48Å; N843-V845 PolarHBondContact OD1-N 2.84Å; N843-V845 PolarHBondContact OD1-O 2.83Å; V845-P847 VanDerWaalsContact O-CD 3.25Å; V845-P847 WeakPolarHBondContact O-CD 3.39Å; V845-L855 HydrophobicContact CG2-CD1 4.13Å
846	N	70.3	Confident	75.2	Confident	60 Å²	60	92.5 Å²	92.5	32%	0.321	47%	0.468	S	S	.	.			trans	-81.2	113.2	174.9	-167.8	-25.2	0	0	0	110.8	N843 Y848 F849	N843-N846 HydrophobicContact CB-CB 4.18Å; N846-Y848 PolarHBondContact O-N 3.07Å; N846-Y848 WeakPolarHBondContact OD1-CB 3.26Å; N846-Y848 WeakPolarHBondContact OD1-CD2 3.49Å; N846-Y848 PolarHBondContact OD1-N 3.36Å; N846-F849 PolarHBondContact O-N 3.15Å
847	P	65.5	Low	75	Confident	101 Å²	101	92.2 Å²	92.2	66%	0.656	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.7	-179	27.7	-34	0	0	0	113.6	V845	V845-P847 VanDerWaalsContact O-CD 3.25Å; V845-P847 WeakPolarHBondContact O-CD 3.39Å
848	Y	65.4	Low	74.8	Confident	204 Å²	204	93.6 Å²	93.6	80%	0.8	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.8	-176.8	-60.3	-76.5	0	0	0	113.7	N846	N846-Y848 PolarHBondContact O-N 3.07Å; N846-Y848 WeakPolarHBondContact OD1-CB 3.26Å; N846-Y848 WeakPolarHBondContact OD1-CD2 3.49Å; N846-Y848 PolarHBondContact OD1-N 3.36Å
849	F	59	Low	74.5	Confident	118 Å²	118	93.9 Å²	93.9	52%	0.518	47%	0.47	S	S	.	.			trans	-95.7	110.3	174	-92.5	-89.8	0	0	0	110.1	N846 Q851	N846-F849 PolarHBondContact O-N 3.15Å; F849-Q851 PolarHBondContact O-N 3.22Å
850	H	55.2	Low	74.4	Confident	197 Å²	197	91.4 Å²	91.4	91%	0.912	46%	0.46	S	S	*	.			trans	-65.6	-11.9	172.9	-71.6	-66.1	0	0	0	114	S852	H850-S852 PolarHBondContact O-N 2.76Å
851	Q	57.3	Low	74.2	Confident	149 Å²	149	91.8 Å²	91.8	70%	0.696	46%	0.457	S	S	*	.	S	Bend	trans	-79.1	101.7	171.2	-74.6	-177.1	-5.4	0	0	109.1	F849 R853	F849-Q851 PolarHBondContact O-N 3.22Å; Q851-R853 PolarHBondContact O-N 3.3Å; Q851-R853 VanDerWaalsContact O-N 3.12Å
852	S	55	Low	74.4	Confident	117 Å²	117	87.6 Å²	87.6	82%	0.818	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-51	116.5	170.5	47.1	0	0	0	0	110.1	H850	H850-S852 PolarHBondContact O-N 2.76Å
853	R	70.6	Confident	74.5	Confident	92 Å²	92	83.8 Å²	83.8	35%	0.347	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-91.6	116.8	171.1	-63.9	-174.9	176.3	-157.2	1.6	108.1	E842 Q851	E842-R853 IonicContact OE1-NH2 2.7Å; E842-R853 IonicContact OE2-CZ 2.78Å; E842-R853 IonicContact OE2-NH1 3.59Å; E842-R853 PolarHBondContact OE2-NH1 2.98Å; E842-R853 IonicContact OE2-NH2 3.23Å; E842-R853 PolarHBondContact OE2-NH2 3.42Å; Q851-R853 PolarHBondContact O-N 3.3Å; Q851-R853 VanDerWaalsContact O-N 3.12Å
854	E	82.2	Confident	74.7	Confident	136 Å²	136	82.4 Å²	82.4	64%	0.636	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-64.7	138.4	174.5	-65.9	173	161.4	0	0	110.1	H865 L866	E854-H865 WeakPolarHBondContact O-CA 3.39Å; E854-L866 HydrophobicContact CB-CB 3.93Å; E854-L866 HydrophobicContact CB-CD2 4.03Å; E854-L866 PolarHBondContact O-N 3.23Å; E854-L866 WeakPolarHBondContact OE2-CD2 3.48Å
855	L	84.9	Confident	75.1	Confident	56 Å²	56	82.1 Å²	82.1	29%	0.293	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.8	-177.6	-61.8	-178.8	0	0	0	110.8	I831 L844 V845 V863 F864	I831-L855 HydrophobicContact CD1-CD1 3.81Å; L844-L855 HydrophobicContact CB-CD1 4.37Å; L844-L855 HydrophobicContact CB-CD2 4.24Å; L844-L855 HydrophobicContact CD2-CD2 3.78Å; V845-L855 HydrophobicContact CG2-CD1 4.13Å; L855-V863 HydrophobicContact CB-CG1 4.07Å; L855-V863 HydrophobicContact CD1-CG1 4.19Å; L855-V863 HydrophobicContact CD2-CG1 4.48Å; L855-V863 HydrophobicContact CG-CG1 4.49Å; L855-F864 CarbonylContact C-O 3.59Å; L855-F864 WeakPolarHBondContact CA-O 3.2Å
856	V	84.6	Confident	75.4	Confident	39 Å²	39	82.5 Å²	82.5	24%	0.236	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.4	169.5	175.5	0	0	0	0	108.4	F858 V863 F864 L866 L869	V856-F858 HydrophobicContact CG1-CD2 4.42Å; V856-F858 HydrophobicContact CG1-CE2 4.15Å; V856-V863 WeakPolarHBondContact O-CA 3.46Å; V856-F864 PolarHBondContact N-O 3.34Å; V856-F864 PolarHBondContact O-N 3.39Å; V856-L866 HydrophobicContact CG2-CB 4.04Å; V856-L866 HydrophobicContact CG2-CD1 3.27Å; V856-L866 HydrophobicContact CG2-CG 4.25Å; V856-L869 HydrophobicContact CB-CD1 4.14Å; V856-L869 HydrophobicContact CG1-CD1 4.39Å
857	I	83.4	Confident	76	Confident	81 Å²	81	89.1 Å²	89.1	42%	0.415	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.2	177.9	-53.8	179.1	0	0	0	107.6	T829 I831 V863	T829-I857 HydrophobicContact CG2-CG2 4.07Å; I831-I857 HydrophobicContact CD1-CD1 3.99Å; I857-V863 HydrophobicContact CB-CG2 4.32Å; I857-V863 HydrophobicContact CD1-CG2 4.39Å; I857-V863 HydrophobicContact CG1-CB 4.39Å; I857-V863 HydrophobicContact CG1-CG1 3.86Å; I857-V863 HydrophobicContact CG1-CG2 3.81Å; I857-V863 HydrophobicContact CG2-CG2 4.08Å
858	F	82.4	Confident	76.8	Confident	30 Å²	30	85.7 Å²	85.7	13%	0.132	42%	0.415	C	S	.	.			trans	-81.6	159.2	172.6	-76.7	-93.3	0	0	0	111	V856 C860 H861 H862 F864 L869 R874 C875	V856-F858 HydrophobicContact CG1-CD2 4.42Å; V856-F858 HydrophobicContact CG1-CE2 4.15Å; F858-C860 WeakPolarHBondContact CB-SG 3.02Å; F858-C860 PolarHBondContact O-N 2.89Å; F858-C860 VanDerWaalsContact O-N 3.1Å; F858-H861 WeakPolarHBondContact O-CA 3.36Å; F858-H861 PolarHBondContact O-N 3.03Å; F858-H862 PolarHBondContact N-O 2.78Å; F858-F864 AromaticContact CD2-CD2 3.87Å; F858-F864 HydrophobicContact CD2-CD2 3.87Å; F858-F864 AromaticContact CD2-CE2 3.67Å; F858-F864 HydrophobicContact CD2-CE2 3.67Å; F858-F864 AromaticContact CE2-CD2 3.82Å; F858-F864 HydrophobicContact CE2-CD2 3.82Å; F858-F864 AromaticContact CE2-CE2 3.81Å; F858-F864 HydrophobicContact CE2-CE2 3.81Å; F858-L869 HydrophobicContact CE2-CD1 4.16Å; F858-L869 HydrophobicContact CE2-CD2 3.8Å; F858-L869 HydrophobicContact CZ-CD2 3.65Å; F858-R874 WeakPolarHBondContact CZ-O 3.16Å; F858-C875 HydrophobicContact CB-CB 4.35Å; F858-C875 HydrophobicContact CD1-CB 3.89Å; F858-C875 HydrophobicContact CD2-CB 4.18Å; F858-C875 HydrophobicContact CE1-CB 4.22Å; F858-C875 VanDerWaalsContact CE1-N 3.31Å; F858-C875 HydrophobicContact CE2-CB 4.47Å; F858-C875 HydrophobicContact CG-CB 3.87Å; F858-C875 HydrophobicContact CZ-CB 4.49Å
859	N	75.5	Confident	77.5	Confident	101 Å²	101	77 Å²	77	54%	0.54	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.3	173.6	-79.2	1.6	0	0	0	113.7	Y821 H861	Y821-N859 PolarHBondContact OH-ND2 3.11Å; N859-H861 PolarHBondContact O-N 2.9Å
860	C	80.9	Confident	78.2	Confident	29 Å²	29	80.5 Å²	80.5	20%	0.196	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.1	168.3	60.7	0	0	0	0	113.4	F858 H862 C875 C878 S880	F858-C860 WeakPolarHBondContact CB-SG 3.02Å; F858-C860 PolarHBondContact O-N 2.89Å; F858-C860 VanDerWaalsContact O-N 3.1Å; C860-H862 PolarHBondContact O-N 3.36Å; C860-H862 PolarHBondContact SG-ND1 2.83Å; C860-C875 VanDerWaalsContact SG-SG 3.61Å; C860-C878 PolarHBondContact SG-SG 2.84Å; C860-S880 PolarHBondContact SG-OG 3.07Å; C860-S880 VanDerWaalsContact SG-OG 3.4Å
861	H	81	Confident	78.8	Confident	54 Å²	54	80.2 Å²	80.2	25%	0.25	40%	0.396	C	S	.	.			trans	69.3	5.2	-178.5	-51.3	-76.9	0	0	0	115.9	T827 T829 F858 N859	T827-H861 PolarHBondContact OG1-CE1 3.32Å; T827-H861 PolarHBondContact OG1-NE2 2.93Å; T829-H861 HydrophobicContact CG2-CB 4.01Å; T829-H861 WeakPolarHBondContact CG2-O 3.38Å; T829-H861 PolarHBondContact OG1-ND1 2.7Å; F858-H861 WeakPolarHBondContact O-CA 3.36Å; F858-H861 PolarHBondContact O-N 3.03Å; N859-H861 PolarHBondContact O-N 2.9Å
862	H	86.5	Confident	79.3	Confident	67 Å²	67	78.7 Å²	78.7	31%	0.31	39%	0.389	S	S	.	.			trans	-71.4	139	168.8	-66.1	117.2	0	0	0	111.2	F858 C860 F864 C875	F858-H862 PolarHBondContact N-O 2.78Å; C860-H862 PolarHBondContact O-N 3.36Å; C860-H862 PolarHBondContact SG-ND1 2.83Å; H862-F864 HydrophobicContact CB-CE2 3.68Å; H862-F864 HydrophobicContact CB-CZ 3.9Å; H862-C875 PolarHBondContact ND1-SG 3.05Å; H862-C875 VanDerWaalsContact ND1-SG 3.45Å
863	V	86.6	Confident	80.2	Confident	16 Å²	16	84.4 Å²	84.4	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.3	-174.5	-169.8	0	0	0	0	110.8	T829 I831 L844 L855 V856 I857	T829-V863 HydrophobicContact CG2-CG2 3.78Å; I831-V863 HydrophobicContact CD1-CB 4.45Å; I831-V863 HydrophobicContact CD1-CG1 3.82Å; I831-V863 HydrophobicContact CD1-CG2 4.08Å; I831-V863 HydrophobicContact CG1-CG2 4.09Å; L844-V863 HydrophobicContact CD1-CB 3.91Å; L844-V863 HydrophobicContact CD1-CG1 4.09Å; L844-V863 HydrophobicContact CD2-CG1 4.2Å; L855-V863 HydrophobicContact CB-CG1 4.07Å; L855-V863 HydrophobicContact CD1-CG1 4.19Å; L855-V863 HydrophobicContact CD2-CG1 4.48Å; L855-V863 HydrophobicContact CG-CG1 4.49Å; V856-V863 WeakPolarHBondContact O-CA 3.46Å; I857-V863 HydrophobicContact CB-CG2 4.32Å; I857-V863 HydrophobicContact CD1-CG2 4.39Å; I857-V863 HydrophobicContact CG1-CB 4.39Å; I857-V863 HydrophobicContact CG1-CG1 3.86Å; I857-V863 HydrophobicContact CG1-CG2 3.81Å; I857-V863 HydrophobicContact CG2-CG2 4.08Å
864	F	86.9	Confident	80.5	Confident	1 Å²	1	88.4 Å²	88.4	0%	0.004	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.1	-178.9	-51.8	-90.1	0	0	0	109.5	V838 I839 L855 V856 F858 H862 L869 P876 T877	V838-F864 HydrophobicContact CB-CE1 4.12Å; V838-F864 HydrophobicContact CG2-CE1 4.4Å; I839-F864 HydrophobicContact CD1-CD1 3.92Å; I839-F864 HydrophobicContact CG1-CD1 4.06Å; I839-F864 HydrophobicContact CG1-CE1 4.47Å; L855-F864 CarbonylContact C-O 3.59Å; L855-F864 WeakPolarHBondContact CA-O 3.2Å; V856-F864 PolarHBondContact N-O 3.34Å; V856-F864 PolarHBondContact O-N 3.39Å; F858-F864 AromaticContact CD2-CD2 3.87Å; F858-F864 HydrophobicContact CD2-CD2 3.87Å; F858-F864 AromaticContact CD2-CE2 3.67Å; F858-F864 HydrophobicContact CD2-CE2 3.67Å; F858-F864 AromaticContact CE2-CD2 3.82Å; F858-F864 HydrophobicContact CE2-CD2 3.82Å; F858-F864 AromaticContact CE2-CE2 3.81Å; F858-F864 HydrophobicContact CE2-CE2 3.81Å; H862-F864 HydrophobicContact CB-CE2 3.68Å; H862-F864 HydrophobicContact CB-CZ 3.9Å; F864-L869 HydrophobicContact CB-CD1 3.36Å; F864-L869 HydrophobicContact CD2-CD1 3.86Å; F864-L869 HydrophobicContact CG-CD1 3.76Å; F864-P876 HydrophobicContact CE1-CG 4.2Å; F864-P876 HydrophobicContact CZ-CG 4.14Å; F864-T877 VanDerWaalsContact CZ-OG1 3.29Å; F864-T877 WeakPolarHBondContact CZ-OG1 3.3Å
865	H	86.9	Confident	80.4	Confident	6 Å²	6	82 Å²	82	3%	0.028	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.7	165.7	-55.7	115.9	0	0	0	109.8	C837 C840 E842 N843 L844 E854 K867 C868 L869	C837-H865 VanDerWaalsContact CB-CE1 3.41Å; C837-H865 WeakPolarHBondContact CB-CE1 3.5Å; C837-H865 VanDerWaalsContact CB-ND1 3.26Å; C837-H865 WeakPolarHBondContact CB-ND1 3.46Å; C840-H865 VanDerWaalsContact SG-CE1 3.56Å; C840-H865 PolarHBondContact SG-ND1 3.4Å; E842-H865 PolarHBondContact O-CE1 3.3Å; N843-H865 PolarHBondContact O-CE1 2.96Å; N843-H865 PolarHBondContact O-NE2 2.82Å; L844-H865 WeakPolarHBondContact CA-NE2 3.44Å; E854-H865 WeakPolarHBondContact O-CA 3.39Å; H865-K867 PolarHBondContact O-N 2.73Å; H865-C868 HydrophobicContact CB-CB 4.33Å; H865-C868 WeakPolarHBondContact O-CB 3.42Å; H865-C868 PolarHBondContact O-N 3.32Å; H865-L869 PolarHBondContact O-N 3.17Å
866	L	84.2	Confident	80	Confident	78 Å²	78	81.9 Å²	81.9	41%	0.408	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-52.6	-41.2	177.2	-179.3	70.2	0	0	0	111.4	E854 V856 C868 L869	E854-L866 HydrophobicContact CB-CB 3.93Å; E854-L866 HydrophobicContact CB-CD2 4.03Å; E854-L866 PolarHBondContact O-N 3.23Å; E854-L866 WeakPolarHBondContact OE2-CD2 3.48Å; V856-L866 HydrophobicContact CG2-CB 4.04Å; V856-L866 HydrophobicContact CG2-CD1 3.27Å; V856-L866 HydrophobicContact CG2-CG 4.25Å; L866-C868 VanDerWaalsContact C-N 3.26Å; L866-C868 PolarHBondContact O-N 3.1Å; L866-L869 PolarHBondContact O-N 2.79Å
867	K	82.2	Confident	79.7	Confident	199 Å²	199	83.3 Å²	83.3	87%	0.865	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-65.3	-25.9	178.6	-67.3	-174.9	178.7	178.8	0	114	H865	H865-K867 PolarHBondContact O-N 2.73Å
868	C	82.8	Confident	79.6	Confident	30 Å²	30	82.2 Å²	82.2	20%	0.203	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-77.4	-26.4	178.4	-69.4	0	0	0	0	111.9	I839 C840 H865 L866 K870	I839-C868 HydrophobicContact CB-CB 3.78Å; I839-C868 HydrophobicContact CD1-CB 3.79Å; I839-C868 HydrophobicContact CG1-CB 4.35Å; I839-C868 HydrophobicContact CG2-CB 3.82Å; C840-C868 VanDerWaalsContact SG-SG 3.61Å; H865-C868 HydrophobicContact CB-CB 4.33Å; H865-C868 WeakPolarHBondContact O-CB 3.42Å; H865-C868 PolarHBondContact O-N 3.32Å; L866-C868 VanDerWaalsContact C-N 3.26Å; L866-C868 PolarHBondContact O-N 3.1Å; C868-K870 PolarHBondContact O-N 2.8Å
869	L	79.7	Confident	79	Confident	22 Å²	22	85.1 Å²	85.1	12%	0.115	41%	0.412	C	S	.	.			trans	-82.8	104.9	172.4	-89.2	118.3	0	0	0	110.9	V856 F858 F864 H865 L866 E871 Q872	V856-L869 HydrophobicContact CB-CD1 4.14Å; V856-L869 HydrophobicContact CG1-CD1 4.39Å; F858-L869 HydrophobicContact CE2-CD1 4.16Å; F858-L869 HydrophobicContact CE2-CD2 3.8Å; F858-L869 HydrophobicContact CZ-CD2 3.65Å; F864-L869 HydrophobicContact CB-CD1 3.36Å; F864-L869 HydrophobicContact CD2-CD1 3.86Å; F864-L869 HydrophobicContact CG-CD1 3.76Å; H865-L869 PolarHBondContact O-N 3.17Å; L866-L869 PolarHBondContact O-N 2.79Å; L869-E871 VanDerWaalsContact C-N 3.27Å; L869-E871 PolarHBondContact O-N 3.42Å; L869-Q872 HydrophobicContact CD2-CB 4.1Å; L869-Q872 VanDerWaalsContact CD2-O 3.28Å; L869-Q872 WeakPolarHBondContact CD2-O 3.42Å
870	K	72.8	Confident	78.3	Confident	190 Å²	190	84.6 Å²	84.6	83%	0.826	42%	0.416	S	S	*	.	S	Bend	trans	-76.6	70.4	170.6	-68.1	-175.7	177	-179.6	0	111.7	C868 Q872	C868-K870 PolarHBondContact O-N 2.8Å; K870-Q872 PolarHBondContact O-N 2.84Å
871	E	67.7	Low	78.1	Confident	191 Å²	191	87.4 Å²	87.4	89%	0.893	43%	0.427	S	S	*	.	S	Bend	trans	58.9	9.8	179.9	-60.9	-172.4	165.8	0	0	116.5	L869 R873	L869-E871 VanDerWaalsContact C-N 3.27Å; L869-E871 PolarHBondContact O-N 3.42Å; E871-R873 PolarHBondContact O-N 3.01Å
872	Q	69.5	Low	78	Confident	118 Å²	118	89.2 Å²	89.2	55%	0.551	44%	0.437	S	S	*	.			trans	-66.2	124.8	177.4	-76.1	-173.1	-10.3	0	0	111.4	L869 K870	L869-Q872 HydrophobicContact CD2-CB 4.1Å; L869-Q872 VanDerWaalsContact CD2-O 3.28Å; L869-Q872 WeakPolarHBondContact CD2-O 3.42Å; K870-Q872 PolarHBondContact O-N 2.84Å
873	R	72.3	Confident	77.5	Confident	237 Å²	237	90.4 Å²	90.4	89%	0.894	44%	0.444	S	S	*	.			trans	-83.7	-9.4	176.7	-67.5	-172.9	179.3	-168.8	-0	114.4	E871	E871-R873 PolarHBondContact O-N 3.01Å
874	R	78.2	Confident	77	Confident	176 Å²	176	94.8 Å²	94.8	66%	0.664	46%	0.464	S	S	*	.	S	Bend	trans	-113.6	150.3	-179.4	-68.1	-173.7	-177	179.3	0.7	110.4	F858 P876 S880	F858-R874 WeakPolarHBondContact CZ-O 3.16Å; R874-P876 WeakPolarHBondContact O-CD 3.22Å; R874-S880 CarbonylContact C-O 3.49Å; R874-S880 WeakPolarHBondContact CA-O 3.49Å
875	C	79.5	Confident	76.3	Confident	2 Å²	2	100.6 Å²	100.6	1%	0.014	49%	0.493	C	S	.	.			trans	-66.1	122.3	178	179.8	0	0	0	0	109.9	F858 C860 H862 T877 C878 S879 S880	F858-C875 HydrophobicContact CB-CB 4.35Å; F858-C875 HydrophobicContact CD1-CB 3.89Å; F858-C875 HydrophobicContact CD2-CB 4.18Å; F858-C875 HydrophobicContact CE1-CB 4.22Å; F858-C875 VanDerWaalsContact CE1-N 3.31Å; F858-C875 HydrophobicContact CE2-CB 4.47Å; F858-C875 HydrophobicContact CG-CB 3.87Å; F858-C875 HydrophobicContact CZ-CB 4.49Å; C860-C875 VanDerWaalsContact SG-SG 3.61Å; H862-C875 PolarHBondContact ND1-SG 3.05Å; H862-C875 VanDerWaalsContact ND1-SG 3.45Å; C875-T877 PolarHBondContact O-N 2.99Å; C875-T877 PolarHBondContact SG-N 3.4Å; C875-C878 VanDerWaalsContact SG-SG 3.6Å; C875-S879 WeakPolarHBondContact O-CA 3.32Å; C875-S879 PolarHBondContact O-N 2.93Å; C875-S880 WeakPolarHBondContact CB-OG 3.39Å; C875-S880 PolarHBondContact N-O 2.95Å
876	P	76.6	Confident	75.6	Confident	53 Å²	53	106.9 Å²	106.9	34%	0.344	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.1	177.4	-20.2	28.7	0	0	0	113.5	I839 F864 R874	I839-P876 HydrophobicContact CD1-CG 4.29Å; F864-P876 HydrophobicContact CE1-CG 4.2Å; F864-P876 HydrophobicContact CZ-CG 4.14Å; R874-P876 WeakPolarHBondContact O-CD 3.22Å
877	T	79.1	Confident	75	Confident	68 Å²	68	109 Å²	109	42%	0.417	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-41.3	-172.8	-46.4	0	0	0	0	113.2	F864 C875	F864-T877 VanDerWaalsContact CZ-OG1 3.29Å; F864-T877 WeakPolarHBondContact CZ-OG1 3.3Å; C875-T877 PolarHBondContact O-N 2.99Å; C875-T877 PolarHBondContact SG-N 3.4Å
878	C	80.1	Confident	74.5	Confident	58 Å²	58	102.1 Å²	102.1	39%	0.392	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	5	-175	60.1	0	0	0	0	113.7	C860 C875 S880	C860-C878 PolarHBondContact SG-SG 2.84Å; C875-C878 VanDerWaalsContact SG-SG 3.6Å; C878-S880 PolarHBondContact O-N 3.47Å; C878-S880 PolarHBondContact SG-OG 3.36Å
879	S	70.4	Confident	73.8	Confident	91 Å²	91	108.1 Å²	108.1	64%	0.636	53%	0.532	S	S	*	.			trans	57.4	11.8	-177.3	-54.6	0	0	0	0	115.1	C875	C875-S879 WeakPolarHBondContact O-CA 3.32Å; C875-S879 PolarHBondContact O-N 2.93Å
880	S	59.6	Low	73.2	Confident	91 Å²	91	115.9 Å²	115.9	64%	0.636	57%	0.57	S	S	*	*			trans	-71.3	0	177.8	70.4	0	0	0	0	112.9	C860 R874 C875 C878	C860-S880 PolarHBondContact SG-OG 3.07Å; C860-S880 VanDerWaalsContact SG-OG 3.4Å; R874-S880 CarbonylContact C-O 3.49Å; R874-S880 WeakPolarHBondContact CA-O 3.49Å; C875-S880 WeakPolarHBondContact CB-OG 3.39Å; C875-S880 PolarHBondContact N-O 2.95Å; C878-S880 PolarHBondContact O-N 3.47Å; C878-S880 PolarHBondContact SG-OG 3.36Å

Retrieved 880 of 880 residues in 910.9 ms (Link to these results)

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