A0A077ZCQ0_TRITR Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A077ZCQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,024 aa.

						>A0A077ZCQ0_TRITR|A0A077ZCQ0
MHANGKVRYGLRIVLFRHCCLLSFFSLPTLCCPPKEMTSRRVAIASKDDARRYPPNLVRNQKHSAVFFLPAVLVEQFRFFLNLFFLIMALSQFLPQLRIGYLSTYWGPLCFVLTITICREAYDDFKRYVRDKELNSMLYELVTPAGSKMTKSSSIQVGDVLKIHKDQRIPADAVLLHTSDKVGACFVRTDQLDGETDWKLKIACPLAQQVENELALFDMNMEIFAEKPQKNIHVFFGTLKTTDQYGQQEEALNVDNILWRDTVLAAGSAVCAVVYTGCETRAALNTSQPRSKVGLFDREVNNLTKILFVLAFLLALLMVGLKGFVGVWPVTFFRFLLLFSYVIPLSLRVNLDMAKVVYAWMISKDKEIPGTVVRSSTIPEELGRIQYLLCDKTGTLTQNNMIFKKLHLGTVMFNQETFDEISSLLRLAFSSDLEAPSTQSLTFKALEALVLCNNVTPVQDEDNEADDTQRSYQASSPDEVALVSWACDMGLKLLFRDLNTIIIKDPLNREQSYKILQTFPFTSERKRMGIIVQKEGTDEITFYIKGADVVLQPIVSYNDWLEEECANLAREGLRTLVVAKKALTVQQYKAFSASYDKAKLSLYDRQTKVNEAVSILERDLQLLCLTGVEDQLQVDVGITLELLKNAGVKAWMLTGDKVETAFCIAKSSGLISRGQNVFRCPTVHTPREALQELEKLRSCSSSLLVISSASLEFYLAYLPEEFINASSACTSVVCCRCSPEQKAEVVRTLKKYNGGKLVAAIGDGGNDVSMIQAADVGIGIVGKEGRHASLAADFSITQFSSLARLLLWHGRLCYRRSCSLSQFVIHRGLIISTMQAVFSCIFYFASVSLYPGMLMVLYSTVYTMFPVFSLVMDRDAKEKVVLTFPDLYKDLVKGRSLSLKTFLIWFLISMYQGAVIMYGGIFLFESDFIHIVSISFTSLVITELIMVALTIHTWHWSMVAAEFLSVCIYVLSLLFLPNVFDIKYVRTWSFIWKTLVLTTISCLPLVLLKLVRLMFAPPNYAKLS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	31.1	Very low	242 Å²	242	160.1 Å²	160.1	100%	1.192	85%	0.854	S	S	*	*				0	129.9	0	-84.7	-179.2	162.7	0	0	108.9
2	H	34.6	Very low	30.8	Very low	197 Å²	197	166.3 Å²	166.3	91%	0.912	86%	0.856	S	S	*	*			trans	60	99.1	-179.2	-74.5	-56.4	0	0	0	120.4
3	A	34.3	Very low	30.5	Very low	86 Å²	86	162.6 Å²	162.6	71%	0.711	84%	0.838	S	S	*	*			trans	-64.5	141.6	159.7	0	0	0	0	0	112
4	N	36.6	Very low	30.3	Very low	172 Å²	172	160.1 Å²	160.1	92%	0.92	83%	0.833	S	S	*	*			trans	-161.1	131.3	137.9	-101.5	-23.3	0	0	0	111.4
5	G	32.7	Very low	30	Very low	75 Å²	75	158.1 Å²	158.1	77%	0.773	82%	0.823	S	S	*	*			trans	-69.4	136.9	-168.2	0	0	0	0	0	114.4	V7	G5-V7 PolarHBondContact O-N 3.01Å
6	K	28.4	Very low	29.9	Very low	196 Å²	196	160.1 Å²	160.1	85%	0.852	82%	0.823	S	S	*	*			trans	-75.7	110.2	166	-77.7	174.2	175.9	169.9	0	109.4
7	V	30.9	Very low	29.7	Very low	117 Å²	117	164.5 Å²	164.5	71%	0.709	83%	0.827	S	S	*	*			trans	-105.4	98.1	155.3	-178.8	0	0	0	0	107.2	G5 Y9	G5-V7 PolarHBondContact O-N 3.01Å; V7-Y9 HydrophobicContact CG1-CD2 3.44Å; V7-Y9 VanDerWaalsContact CG1-CD2 3.44Å; V7-Y9 HydrophobicContact CG1-CE2 3.37Å; V7-Y9 PolarHBondContact O-N 2.62Å
8	R	25.8	Very low	29.6	Very low	235 Å²	235	165 Å²	165	89%	0.887	83%	0.826	S	S	*	*			trans	-77.8	101.7	168.8	-92.5	179.7	169.9	172.3	-4	108.2
9	Y	31.2	Very low	29.6	Very low	206 Å²	206	162.6 Å²	162.6	81%	0.808	83%	0.825	S	S	*	*			trans	-98.5	102.5	154.6	-81.2	-75.2	0	0	0	108.4	V7 L11	V7-Y9 HydrophobicContact CG1-CD2 3.44Å; V7-Y9 VanDerWaalsContact CG1-CD2 3.44Å; V7-Y9 HydrophobicContact CG1-CE2 3.37Å; V7-Y9 PolarHBondContact O-N 2.62Å; Y9-L11 PolarHBondContact O-N 2.79Å
10	G	26.1	Very low	29.5	Very low	79 Å²	79	158.6 Å²	158.6	81%	0.814	81%	0.811	S	S	*	*			trans	-71.7	106.6	168.8	0	0	0	0	0	109.6	R12	G10-R12 PolarHBondContact O-N 2.92Å
11	L	26.3	Very low	29.5	Very low	156 Å²	156	157.6 Å²	157.6	82%	0.817	81%	0.807	S	S	*	*			trans	-80.9	90.1	166.1	-141.4	89.3	0	0	0	107.5	Y9 I13	Y9-L11 PolarHBondContact O-N 2.79Å; L11-I13 PolarHBondContact O-N 2.69Å; L11-I13 VanDerWaalsContact O-N 3.07Å
12	R	27.3	Very low	29.4	Very low	234 Å²	234	153 Å²	153	88%	0.883	79%	0.787	S	S	*	*			trans	-66.2	105.2	165	-102	-176.9	174.5	-179.9	-1.4	107.6	G10 V14	G10-R12 PolarHBondContact O-N 2.92Å; R12-V14 VanDerWaalsContact C-N 3.35Å; R12-V14 PolarHBondContact O-N 3.08Å
13	I	27.2	Very low	29.2	Very low	119 Å²	119	147 Å²	147	61%	0.61	77%	0.767	S	S	*	*			trans	-68.4	93.6	166.7	-67.1	171.9	0	0	0	107.2	L11 L15	L11-I13 PolarHBondContact O-N 2.69Å; L11-I13 VanDerWaalsContact O-N 3.07Å; I13-L15 HydrophobicContact CG2-CB 4.19Å; I13-L15 HydrophobicContact CG2-CD1 3.19Å; I13-L15 HydrophobicContact CG2-CG 4.23Å; I13-L15 PolarHBondContact O-N 2.93Å
14	V	27.4	Very low	29	Very low	128 Å²	128	151.4 Å²	151.4	78%	0.776	77%	0.77	S	S	*	*			trans	-91.4	85.2	161.4	179.8	0	0	0	0	106.3	R12	R12-V14 VanDerWaalsContact C-N 3.35Å; R12-V14 PolarHBondContact O-N 3.08Å
15	L	26.7	Very low	28.8	Very low	130 Å²	130	150 Å²	150	68%	0.681	76%	0.756	S	S	*	*			trans	-69	127.1	172.7	-125.6	106.6	0	0	0	108.6	I13	I13-L15 HydrophobicContact CG2-CB 4.19Å; I13-L15 HydrophobicContact CG2-CD1 3.19Å; I13-L15 HydrophobicContact CG2-CG 4.23Å; I13-L15 PolarHBondContact O-N 2.93Å
16	F	28	Very low	28.7	Very low	189 Å²	189	150.8 Å²	150.8	83%	0.829	75%	0.749	S	S	*	*	S	Bend	trans	50.6	73	153.8	-82.5	-95.7	0	0	0	117.9
17	R	26.6	Very low	28.8	Very low	236 Å²	236	146.9 Å²	146.9	89%	0.891	74%	0.738	S	S	*	*	S	Bend	trans	-157.8	-2.9	150.2	-122.8	174.1	177.4	-170.7	-1.8	118.8
18	H	26.7	Very low	28.7	Very low	173 Å²	173	146.1 Å²	146.1	80%	0.801	74%	0.735	S	S	*	*			trans	-132.2	77.5	174.6	-83.2	-52.9	0	0	0	112.1	C20	H18-C20 PolarHBondContact O-N 2.99Å
19	C	29.9	Very low	29.1	Very low	119 Å²	119	140 Å²	140	80%	0.804	72%	0.724	S	S	*	*			trans	-86.7	61.4	158.2	-146.7	0	0	0	0	108.7
20	C	27.7	Very low	29.3	Very low	83 Å²	83	138.2 Å²	138.2	56%	0.561	73%	0.727	S	S	*	*			trans	-102.1	40	168.7	-81.1	0	0	0	0	110.4	H18 L22 S23	H18-C20 PolarHBondContact O-N 2.99Å; C20-L22 VanDerWaalsContact C-N 3.3Å; C20-S23 PolarHBondContact O-OG 3.45Å
21	L	30.9	Very low	29.8	Very low	138 Å²	138	139.1 Å²	139.1	72%	0.723	72%	0.72	S	S	*	*			trans	-90.5	2.2	167.6	-91	156.5	0	0	0	112.3
22	L	32.8	Very low	30.2	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	72%	0.715	S	S	*	*	S	Bend	trans	-91.1	-4.3	169.5	-82.6	159.3	0	0	0	113.5	C20	C20-L22 VanDerWaalsContact C-N 3.3Å
23	S	29.9	Very low	30.8	Very low	70 Å²	70	130.7 Å²	130.7	49%	0.49	71%	0.706	S	S	.	*	S	Bend	trans	-90.1	-8.3	176.7	56.7	0	0	0	0	114.2	C20 F25 S26	C20-S23 PolarHBondContact O-OG 3.45Å; S23-F25 VanDerWaalsContact C-N 3.34Å; S23-S26 PolarHBondContact O-OG 3.04Å
24	F	30.2	Very low	32.1	Very low	179 Å²	179	130.8 Å²	130.8	79%	0.785	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-4.3	174.9	-100.3	-86.1	0	0	0	113.9
25	F	33.2	Very low	33.8	Very low	144 Å²	144	131.9 Å²	131.9	63%	0.632	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	21.8	177.2	-75.9	-79.9	0	0	0	113.3	S23 L27	S23-F25 VanDerWaalsContact C-N 3.34Å; F25-L27 PolarHBondContact O-N 3.46Å
26	S	29.5	Very low	35.7	Very low	90 Å²	90	134.1 Å²	134.1	63%	0.629	72%	0.716	S	S	*	*			trans	-74.1	79.8	146.3	54.1	0	0	0	0	106.6	S23 P28	S23-S26 PolarHBondContact O-OG 3.04Å; S26-P28 VanDerWaalsContact O-CD 3.29Å; S26-P28 WeakPolarHBondContact O-CD 3Å
27	L	30.8	Very low	38.1	Very low	115 Å²	115	129.4 Å²	129.4	60%	0.602	70%	0.698	S	S	*	*			trans	-49.8	120.6	153.7	-110.6	109.5	0	0	0	104	F25 T29	F25-L27 PolarHBondContact O-N 3.46Å; L27-T29 PolarHBondContact O-N 3.32Å
28	P	29.4	Very low	40.8	Very low	100 Å²	100	122.1 Å²	122.1	65%	0.649	68%	0.68	S	S	*	*			trans	-60.9	104.3	164.4	27.2	-27.6	0	0	0	102.4	S26 L30	S26-P28 VanDerWaalsContact O-CD 3.29Å; S26-P28 WeakPolarHBondContact O-CD 3Å; P28-L30 VanDerWaalsContact C-N 3.28Å; P28-L30 PolarHBondContact O-N 3.1Å
29	T	33.8	Very low	43.7	Very low	108 Å²	108	117 Å²	117	66%	0.663	66%	0.663	S	S	*	*			trans	-41	116.2	141.5	38.9	0	0	0	0	103.2	L27 C31	L27-T29 PolarHBondContact O-N 3.32Å; T29-C31 PolarHBondContact O-N 3.22Å; T29-C31 PolarHBondContact OG1-SG 3.24Å
30	L	36	Very low	46.4	Very low	167 Å²	167	111.8 Å²	111.8	87%	0.874	63%	0.626	S	S	*	*			trans	-56.4	76.5	160.8	-98	88.8	0	0	0	104.9	P28 C32	P28-L30 VanDerWaalsContact C-N 3.28Å; P28-L30 PolarHBondContact O-N 3.1Å; L30-C32 PolarHBondContact O-N 3.47Å
31	C	35.2	Very low	49.2	Very low	98 Å²	98	115.6 Å²	115.6	66%	0.662	63%	0.629	S	S	*	*			trans	-74.4	84.3	166.3	-77.6	0	0	0	0	101.4	T29	T29-C31 PolarHBondContact O-N 3.22Å; T29-C31 PolarHBondContact OG1-SG 3.24Å
32	C	36.2	Very low	51.9	Low	104 Å²	104	109.3 Å²	109.3	70%	0.703	60%	0.597	S	S	*	*			trans	-42.1	125.4	143.9	-68.9	0	0	0	0	105.5	L30	L30-C32 PolarHBondContact O-N 3.47Å
33	P	39.4	Very low	54.4	Low	109 Å²	109	104.6 Å²	104.6	71%	0.708	58%	0.579	S	S	*	*			trans	-49.5	141.5	174	20.8	-31.2	0	0	0	107.9	K35	P33-K35 PolarHBondContact O-N 3.29Å
34	P	54.3	Low	56.7	Low	122 Å²	122	102.2 Å²	102.2	79%	0.792	56%	0.56	S	S	*	*			trans	-51.2	115.9	-179.9	21.3	-31.3	0	0	0	107.6	E36	P34-E36 PolarHBondContact O-N 3.34Å
35	K	62	Low	58.5	Low	150 Å²	150	96.2 Å²	96.2	65%	0.652	54%	0.544	S	S	*	.			trans	-55	117.3	-175.3	-169.8	-180	178	-170.8	0	106.9	P33 M37 R52	P33-K35 PolarHBondContact O-N 3.29Å; K35-M37 PolarHBondContact O-N 3.18Å; K35-R52 PolarHBondContact NZ-O 3.17Å
36	E	66.9	Low	60.2	Low	178 Å²	178	92 Å²	92	83%	0.832	53%	0.532	S	S	*	.			trans	-59.2	126.3	179.8	-82.7	-173.5	158.4	0	0	109.3	P34 T38	P34-E36 PolarHBondContact O-N 3.34Å; E36-T38 PolarHBondContact O-N 3.06Å
37	M	79.2	Confident	61.7	Low	90 Å²	90	95 Å²	95	44%	0.443	53%	0.533	S	S	.	.			trans	-78.2	114.2	-177.3	-65.5	178.9	-170.6	0	0	109.1	K35 P228 L284	K35-M37 PolarHBondContact O-N 3.18Å; M37-P228 HydrophobicContact CB-CG 4.38Å; M37-P228 HydrophobicContact SD-CB 3.88Å; M37-P228 HydrophobicContact SD-CG 4.45Å; M37-L284 HydrophobicContact CE-CD2 3.79Å
38	T	83.7	Confident	63.1	Low	83 Å²	83	96.5 Å²	96.5	51%	0.509	54%	0.542	S	S	.	.			trans	-102.1	157.6	179.9	61.2	0	0	0	0	111.8	E36	E36-T38 PolarHBondContact O-N 3.06Å
39	S	85.8	Confident	64.5	Low	65 Å²	65	95.6 Å²	95.6	46%	0.455	53%	0.532	S	S	.	.			trans	-63.2	159.6	164.2	52.2	0	0	0	0	110.7
40	R	86.8	Confident	65.6	Low	9 Å²	9	91.8 Å²	91.8	3%	0.034	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.8	-174.9	66	-169.4	75.4	-158.1	-8.9	112	V42 Y53 A225 V274 Y275 E279	R40-V42 HydrophobicContact CB-CG2 4.46Å; R40-V42 HydrophobicContact CG-CG2 3.94Å; R40-Y53 HydrophobicContact CB-CE1 4.18Å; R40-A225 HydrophobicContact CG-CB 3.95Å; R40-A225 PolarHBondContact N-O 2.71Å; R40-A225 PolarHBondContact O-N 3.04Å; R40-V274 VanDerWaalsContact CD-O 3.25Å; R40-V274 WeakPolarHBondContact CD-O 3.05Å; R40-V274 PolarHBondContact NH1-O 3.12Å; R40-Y275 VanDerWaalsContact NH2-CD1 3.33Å; R40-E279 IonicContact CZ-OE2 2.76Å; R40-E279 VanDerWaalsContact CZ-OE2 3.25Å; R40-E279 IonicContact NH1-OE2 2.75Å; R40-E279 PolarHBondContact NH1-OE2 2.99Å; R40-E279 IonicContact NH2-OE1 3.49Å; R40-E279 IonicContact NH2-OE2 3.93Å; R40-E279 PolarHBondContact NH2-OE2 3.48Å
41	R	87.4	Confident	66.8	Low	163 Å²	163	95.9 Å²	95.9	62%	0.615	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	128	164.6	-76	-174.7	-89.4	173	-6.8	107.1	E222 I223 F224	R41-E222 HydrophobicContact CB-CG 4.48Å; R41-E222 WeakPolarHBondContact CB-OE1 3.32Å; R41-E222 VanDerWaalsContact CD-OE1 3.32Å; R41-E222 WeakPolarHBondContact CD-OE1 3.5Å; R41-I223 CarbonylContact C-O 3.45Å; R41-I223 WeakPolarHBondContact CA-O 3.33Å; R41-F224 HydrophobicContact CG-CB 4.46Å; R41-F224 HydrophobicContact CG-CD2 3.8Å
42	V	86.8	Confident	68.8	Low	7 Å²	7	98.8 Å²	98.8	4%	0.042	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.3	-174.1	-178.7	0	0	0	0	107.2	R40 V157 G158 I223	R40-V42 HydrophobicContact CB-CG2 4.46Å; R40-V42 HydrophobicContact CG-CG2 3.94Å; V42-V157 HydrophobicContact CB-CG1 4.34Å; V42-V157 HydrophobicContact CG1-CG1 3.8Å; V42-V157 HydrophobicContact CG2-CG1 3.54Å; V42-G158 VanDerWaalsContact CG1-CA 3.48Å; V42-I223 HydrophobicContact CB-CB 4.47Å; V42-I223 PolarHBondContact N-O 2.87Å; V42-I223 PolarHBondContact O-N 3.36Å
43	A	85.1	Confident	71.1	Confident	46 Å²	46	95.5 Å²	95.5	38%	0.38	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.3	170	0	0	0	0	0	109.3
44	I	79.7	Confident	73.5	Confident	20 Å²	20	91.5 Å²	91.5	10%	0.103	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	133.9	178.7	-58.1	-167.3	0	0	0	108.8	S46 V160 L176 F217 M221 I223 A272	I44-S46 PolarHBondContact O-N 3.41Å; I44-S46 VanDerWaalsContact O-N 3.14Å; I44-V160 HydrophobicContact CG2-CG2 3.48Å; I44-V160 VanDerWaalsContact CG2-CG2 3.48Å; I44-L176 HydrophobicContact CD1-CD1 3.84Å; I44-L176 HydrophobicContact CD1-CD2 4.31Å; I44-F217 HydrophobicContact CG2-CD1 4.49Å; I44-F217 HydrophobicContact CG2-CE1 4.34Å; I44-M221 HydrophobicContact CB-CB 4.16Å; I44-M221 HydrophobicContact CD1-CB 3.45Å; I44-M221 VanDerWaalsContact CD1-CB 3.45Å; I44-M221 HydrophobicContact CD1-CE 3.82Å; I44-M221 HydrophobicContact CD1-CG 4.23Å; I44-M221 HydrophobicContact CD1-SD 3.81Å; I44-M221 HydrophobicContact CG1-CB 3.77Å; I44-M221 PolarHBondContact N-O 3.42Å; I44-I223 HydrophobicContact CD1-CD1 4.01Å; I44-I223 HydrophobicContact CD1-CG1 4.45Å; I44-I223 HydrophobicContact CG1-CD1 4.28Å; I44-A272 HydrophobicContact CD1-CB 4.11Å; I44-A272 HydrophobicContact CG1-CB 4.48Å
45	A	67.3	Low	75.2	Confident	53 Å²	53	90.1 Å²	90.1	44%	0.438	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	1.4	-179.6	0	0	0	0	0	118.1	F217	A45-F217 HydrophobicContact CB-CD1 3.59Å; A45-F217 HydrophobicContact CB-CE1 3.77Å
46	S	68.1	Low	76.6	Confident	55 Å²	55	83 Å²	83	39%	0.385	42%	0.419	S	S	.	.			trans	-88	127.7	168.7	-179.1	0	0	0	0	111.4	I44 D48	I44-S46 PolarHBondContact O-N 3.41Å; I44-S46 VanDerWaalsContact O-N 3.14Å; S46-D48 PolarHBondContact OG-N 2.95Å; S46-D48 PolarHBondContact OG-OD2 2.83Å
47	K	62	Low	77.6	Confident	152 Å²	152	78.7 Å²	78.7	66%	0.661	40%	0.401	S	S	*	.			trans	-90.9	-0.1	178.4	-70.1	-170.8	177.3	-179	0	114	D49 A50	K47-D49 PolarHBondContact O-N 3.17Å; K47-D49 VanDerWaalsContact O-N 3.15Å; K47-A50 WeakPolarHBondContact O-CB 3.31Å; K47-A50 PolarHBondContact O-N 2.76Å
48	D	59.4	Low	77.7	Confident	148 Å²	148	75.4 Å²	75.4	79%	0.791	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.2	-167.3	-70.2	-28.5	0	0	0	113.3	S46	S46-D48 PolarHBondContact OG-N 2.95Å; S46-D48 PolarHBondContact OG-OD2 2.83Å
49	D	60	Low	77.4	Confident	81 Å²	81	77.9 Å²	77.9	43%	0.433	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.6	-179.4	-86.9	-39.5	0	0	0	115.3	K47 R51 R52 Y53	K47-D49 PolarHBondContact O-N 3.17Å; K47-D49 VanDerWaalsContact O-N 3.15Å; D49-R51 PolarHBondContact O-N 3.04Å; D49-R52 WeakPolarHBondContact O-CB 3.35Å; D49-R52 PolarHBondContact O-N 2.77Å; D49-Y53 HydrophobicContact CB-CE2 4.14Å
50	A	56.9	Low	76.9	Confident	27 Å²	27	78 Å²	78	22%	0.223	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.6	-170.7	0	0	0	0	0	114.9	K47 R52	K47-A50 WeakPolarHBondContact O-CB 3.31Å; K47-A50 PolarHBondContact O-N 2.76Å; A50-R52 VanDerWaalsContact C-N 3.33Å
51	R	59.8	Low	76.3	Confident	254 Å²	254	79.9 Å²	79.9	96%	0.958	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.7	179.1	-69.8	-174.2	-177	-177.5	2.7	114.1	D49	D49-R51 PolarHBondContact O-N 3.04Å
52	R	77.4	Confident	75.5	Confident	158 Å²	158	74.7 Å²	74.7	60%	0.596	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-27.4	-175.5	-164.1	171.1	-177.1	169.3	0.1	112.8	K35 D49 A50	K35-R52 PolarHBondContact NZ-O 3.17Å; D49-R52 WeakPolarHBondContact O-CB 3.35Å; D49-R52 PolarHBondContact O-N 2.77Å; A50-R52 VanDerWaalsContact C-N 3.33Å
53	Y	85.8	Confident	75.1	Confident	36 Å²	36	75.5 Å²	75.5	14%	0.141	38%	0.377	C	S	.	.	S	Bend	trans	-103.7	154.2	-171.5	-57.2	-65.8	0	0	0	112.7	R40 D49 V157	R40-Y53 HydrophobicContact CB-CE1 4.18Å; D49-Y53 HydrophobicContact CB-CE2 4.14Å; Y53-V157 HydrophobicContact CD1-CG2 4.47Å; Y53-V157 HydrophobicContact CD2-CB 3.75Å; Y53-V157 HydrophobicContact CD2-CG1 4.03Å; Y53-V157 HydrophobicContact CD2-CG2 3.92Å; Y53-V157 HydrophobicContact CE2-CB 4.27Å; Y53-V157 HydrophobicContact CE2-CG1 4.05Å; Y53-V157 HydrophobicContact CG-CB 4.17Å; Y53-V157 HydrophobicContact CG-CG2 3.8Å
54	P	88.5	Confident	74.9	Confident	24 Å²	24	75.4 Å²	75.4	16%	0.156	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66.4	144.8	178.1	27.4	-34.1	0	0	0	111.6	T276 E279	P54-T276 PolarHBondContact O-OG1 3.1Å; P54-E279 VanDerWaalsContact CD-CD 3.5Å; P54-E279 WeakPolarHBondContact CD-OE1 3.2Å; P54-E279 HydrophobicContact CG-CB 4.37Å; P54-E279 HydrophobicContact CG-CG 3.79Å
55	P	90.1	Very high	74.8	Confident	93 Å²	93	78.9 Å²	78.9	60%	0.604	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-65.8	152.1	175.9	29	-35.1	0	0	0	111	L57	P55-L57 PolarHBondContact O-N 2.82Å
56	N	91.3	Very high	75.6	Confident	1 Å²	1	82 Å²	82	1%	0.005	42%	0.418	C	S	.	.			trans	-76.9	49.6	176.2	-162	38.4	0	0	0	113.1	S152 S153 I155 P170 T276 G277	N56-S152 PolarHBondContact ND2-O 3.16Å; N56-S153 WeakPolarHBondContact O-CA 3.35Å; N56-I155 HydrophobicContact CB-CB 4.34Å; N56-I155 WeakPolarHBondContact CB-O 3.39Å; N56-P170 PolarHBondContact ND2-O 2.95Å; N56-T276 HydrophobicContact CB-CG2 4.24Å; N56-G277 PolarHBondContact OD1-N 2.94Å
57	L	88.1	Confident	76.4	Confident	87 Å²	87	85.4 Å²	85.4	46%	0.455	43%	0.426	S	S	.	.			trans	-98.7	127.2	-178.7	-165.2	81.7	0	0	0	110.7	P55 N135	P55-L57 PolarHBondContact O-N 2.82Å; L57-N135 HydrophobicContact CD1-CB 4.43Å
58	V	81.8	Confident	77.6	Confident	22 Å²	22	79.6 Å²	79.6	13%	0.133	40%	0.401	C	S	.	.			trans	-85.7	123.1	168	-168	0	0	0	0	108.8	L134 N135	V58-L134 HydrophobicContact CG1-CD1 4.48Å; V58-N135 PolarHBondContact N-OD1 3.12Å; V58-N135 PolarHBondContact O-ND2 2.82Å
59	R	78.5	Confident	79	Confident	134 Å²	134	77 Å²	77	51%	0.506	39%	0.387	S	S	.	.			trans	-135.6	102.2	178.2	-171.4	-179.6	-177.2	-178.8	1.2	110.7	Q61 S64	R59-Q61 HydrophobicContact CG-CB 4.41Å; R59-S64 VanDerWaalsContact NH2-CA 3.34Å; R59-S64 PolarHBondContact NH2-OG 2.96Å
60	N	73.9	Confident	80.4	Confident	69 Å²	69	76.3 Å²	76.3	37%	0.369	39%	0.387	S	S	.	.			trans	-101.9	-1.2	177.1	-62.6	-51.7	0	0	0	113.1	D131	N60-D131 WeakPolarHBondContact CB-OD1 3.46Å; N60-D131 PolarHBondContact N-OD2 3.18Å; N60-D131 PolarHBondContact ND2-OD1 2.8Å
61	Q	74.9	Confident	81.8	Confident	47 Å²	47	76.8 Å²	76.8	22%	0.22	39%	0.391	C	S	.	.			trans	-58.3	138.1	171.5	-65.1	-173.1	-74	0	0	111.1	R59 D124 R127 D131	R59-Q61 HydrophobicContact CG-CB 4.41Å; Q61-D124 WeakPolarHBondContact CA-OD1 3.35Å; Q61-D124 PolarHBondContact NE2-OD2 2.94Å; Q61-R127 HydrophobicContact CG-CB 4.45Å; Q61-D131 PolarHBondContact N-OD2 3.11Å
62	K	71.1	Confident	83	Confident	54 Å²	54	64.8 Å²	64.8	24%	0.235	35%	0.345	C	S	.	.	S	Bend	trans	-74.1	-38.8	176.6	-74.5	164.9	165.7	-177.5	0	111.5	E120 D124 S291	K62-E120 WeakPolarHBondContact CD-OE1 3.41Å; K62-E120 IonicContact NZ-OE1 2.7Å; K62-E120 PolarHBondContact NZ-OE1 3.18Å; K62-D124 PolarHBondContact N-OD1 3.29Å; K62-S291 VanDerWaalsContact CE-OG 3.29Å; K62-S291 WeakPolarHBondContact CE-OG 3.33Å; K62-S291 PolarHBondContact NZ-OG 2.79Å
63	H	77.6	Confident	83.5	Confident	25 Å²	25	59.6 Å²	59.6	12%	0.116	33%	0.329	C	S	.	.	S	Bend	trans	-120.3	150.6	-169.5	-57	-63.9	0	0	0	110.7	F68	H63-F68 HydrophobicContact CB-CB 4.23Å; H63-F68 HydrophobicContact CB-CD2 3.88Å; H63-F68 AromaticContact CD2-CD2 3.89Å
64	S	80.6	Confident	83.5	Confident	43 Å²	43	61.3 Å²	61.3	30%	0.301	34%	0.343	S	S	.	.			trans	-81.2	143.9	164.5	-164.7	0	0	0	0	109.1	R59 V66 F67 F68	R59-S64 VanDerWaalsContact NH2-CA 3.34Å; R59-S64 PolarHBondContact NH2-OG 2.96Å; S64-V66 PolarHBondContact O-N 3.37Å; S64-F67 CarbonylContact O-C 3.56Å; S64-F67 PolarHBondContact O-N 3.36Å; S64-F68 PolarHBondContact O-N 3.08Å
65	A	78.2	Confident	83.2	Confident	94 Å²	94	62.8 Å²	62.8	78%	0.777	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.2	179.5	0	0	0	0	0	112.6
66	V	83.3	Confident	82.9	Confident	119 Å²	119	59.1 Å²	59.1	72%	0.721	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-37.1	178.1	-177.5	0	0	0	0	112.6	S64	S64-V66 PolarHBondContact O-N 3.37Å
67	F	85.1	Confident	82.6	Confident	126 Å²	126	61.3 Å²	61.3	55%	0.553	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	4.2	-175.4	-68.1	-72.1	0	0	0	113.5	S64 A71	S64-F67 CarbonylContact O-C 3.56Å; S64-F67 PolarHBondContact O-N 3.36Å; F67-A71 WeakPolarHBondContact O-CB 3.32Å; F67-A71 PolarHBondContact O-N 2.82Å; F67-A71 VanDerWaalsContact O-N 3.11Å
68	F	87.5	Confident	82.4	Confident	30 Å²	30	67.8 Å²	67.8	13%	0.132	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-57.1	-176.6	173.8	-100.1	0	0	0	111.6	H63 S64 A71 V72 I117 E120 A121	H63-F68 HydrophobicContact CB-CB 4.23Å; H63-F68 HydrophobicContact CB-CD2 3.88Å; H63-F68 AromaticContact CD2-CD2 3.89Å; S64-F68 PolarHBondContact O-N 3.08Å; F68-A71 PolarHBondContact O-N 3.47Å; F68-V72 HydrophobicContact CD2-CG2 3.93Å; F68-V72 HydrophobicContact CE1-CG2 4.39Å; F68-V72 HydrophobicContact CE2-CG2 3.6Å; F68-V72 HydrophobicContact CG-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CB 3.46Å; F68-V72 VanDerWaalsContact O-CG2 3.24Å; F68-V72 WeakPolarHBondContact O-CG2 3.35Å; F68-V72 PolarHBondContact O-N 2.68Å; F68-I117 HydrophobicContact CE1-CG2 3.87Å; F68-I117 HydrophobicContact CZ-CG2 4.42Å; F68-E120 HydrophobicContact CE2-CB 4.27Å; F68-E120 HydrophobicContact CE2-CG 4.07Å; F68-E120 HydrophobicContact CZ-CB 4.18Å; F68-E120 HydrophobicContact CZ-CG 4.47Å; F68-A121 HydrophobicContact CE1-CB 3.84Å; F68-A121 HydrophobicContact CE2-CB 4.34Å; F68-A121 VanDerWaalsContact CZ-CA 3.45Å; F68-A121 HydrophobicContact CZ-CB 3.53Å
69	L	88.8	Confident	82.2	Confident	93 Å²	93	68.5 Å²	68.5	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-48.3	-174.6	-176	71.1	0	0	0	113	A71 L73 I117	L69-A71 PolarHBondContact O-N 2.96Å; L69-L73 HydrophobicContact CD1-CD1 4.26Å; L69-L73 HydrophobicContact CD1-CG 4.41Å; L69-L73 HydrophobicContact CG-CD1 4.08Å; L69-L73 WeakPolarHBondContact O-CB 3.5Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.44Å; L69-L73 PolarHBondContact O-N 3.06Å; L69-I117 HydrophobicContact CD1-CD1 3.82Å; L69-I117 HydrophobicContact CD1-CG1 4.48Å; L69-I117 HydrophobicContact CD1-CG2 4.16Å
70	P	89.3	Confident	82.5	Confident	67 Å²	67	64.7 Å²	64.7	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-42.7	176.8	-23.3	34.2	0	0	0	113.1	L73 V74	P70-L73 PolarHBondContact O-N 3Å; P70-V74 WeakPolarHBondContact O-CG2 3.29Å; P70-V74 PolarHBondContact O-N 3.15Å; P70-V74 VanDerWaalsContact O-N 3.08Å
71	A	86.2	Confident	82.8	Confident	37 Å²	37	62 Å²	62	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-45.9	-179	0	0	0	0	0	111.6	F67 F68 L69 L73 V74 E75	F67-A71 WeakPolarHBondContact O-CB 3.32Å; F67-A71 PolarHBondContact O-N 2.82Å; F67-A71 VanDerWaalsContact O-N 3.11Å; F68-A71 PolarHBondContact O-N 3.47Å; L69-A71 PolarHBondContact O-N 2.96Å; A71-L73 PolarHBondContact O-N 2.7Å; A71-V74 PolarHBondContact O-N 2.83Å; A71-E75 PolarHBondContact O-N 3.04Å
72	V	85.1	Confident	83.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-42.5	179.2	173.3	0	0	0	0	110.9	F68 V74 E75 Q76 I117 E120	F68-V72 HydrophobicContact CD2-CG2 3.93Å; F68-V72 HydrophobicContact CE1-CG2 4.39Å; F68-V72 HydrophobicContact CE2-CG2 3.6Å; F68-V72 HydrophobicContact CG-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CB 3.46Å; F68-V72 VanDerWaalsContact O-CG2 3.24Å; F68-V72 WeakPolarHBondContact O-CG2 3.35Å; F68-V72 PolarHBondContact O-N 2.68Å; V72-V74 PolarHBondContact O-N 3.43Å; V72-E75 PolarHBondContact O-N 2.76Å; V72-Q76 HydrophobicContact CG1-CG 4.29Å; V72-Q76 VanDerWaalsContact O-CG 3.31Å; V72-Q76 WeakPolarHBondContact O-CG 3.48Å; V72-Q76 PolarHBondContact O-N 2.75Å; V72-I117 HydrophobicContact CG1-CG1 3.91Å; V72-E120 HydrophobicContact CG2-CB 4.47Å; V72-E120 HydrophobicContact CG2-CG 4.01Å
73	L	87.4	Confident	83.9	Confident	50 Å²	50	60.4 Å²	60.4	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-43.8	177.2	-73.6	172.8	0	0	0	112.1	L69 P70 A71 E75 Q76 F77 I117	L69-L73 HydrophobicContact CD1-CD1 4.26Å; L69-L73 HydrophobicContact CD1-CG 4.41Å; L69-L73 HydrophobicContact CG-CD1 4.08Å; L69-L73 WeakPolarHBondContact O-CB 3.5Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.44Å; L69-L73 PolarHBondContact O-N 3.06Å; P70-L73 PolarHBondContact O-N 3Å; A71-L73 PolarHBondContact O-N 2.7Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.95Å; L73-Q76 PolarHBondContact O-N 3.24Å; L73-F77 HydrophobicContact CB-CD2 4.44Å; L73-F77 HydrophobicContact CB-CE2 4.34Å; L73-F77 HydrophobicContact CD2-CE2 4.09Å; L73-F77 WeakPolarHBondContact O-CD2 3.17Å; L73-F77 PolarHBondContact O-N 2.8Å; L73-I117 HydrophobicContact CD2-CD1 3.98Å
74	V	86.8	Confident	84.3	Confident	71 Å²	71	59.8 Å²	59.8	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-41.5	175.9	171.1	0	0	0	0	111	P70 A71 V72 F77 R78	P70-V74 WeakPolarHBondContact O-CG2 3.29Å; P70-V74 PolarHBondContact O-N 3.15Å; P70-V74 VanDerWaalsContact O-N 3.08Å; A71-V74 PolarHBondContact O-N 2.83Å; V72-V74 PolarHBondContact O-N 3.43Å; V74-F77 PolarHBondContact O-N 2.81Å; V74-R78 PolarHBondContact O-N 2.82Å; V74-R78 VanDerWaalsContact O-N 3.07Å
75	E	81.9	Confident	84.5	Confident	55 Å²	55	58.7 Å²	58.7	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-40.7	176.5	-169.3	171.4	-175.4	0	0	111.9	A71 V72 L73 R78 S291	A71-E75 PolarHBondContact O-N 3.04Å; V72-E75 PolarHBondContact O-N 2.76Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.95Å; E75-R78 WeakPolarHBondContact O-CB 3.44Å; E75-R78 PolarHBondContact O-N 3.23Å; E75-S291 VanDerWaalsContact OE1-CB 3.28Å; E75-S291 WeakPolarHBondContact OE1-CB 3.37Å; E75-S291 PolarHBondContact OE1-OG 3.34Å
76	Q	83.1	Confident	85	Confident	16 Å²	16	56 Å²	56	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-67.2	-41.4	177.3	-68	-53.1	-42.2	0	0	112.4	V72 L73 R78 F79 N82 L113	V72-Q76 HydrophobicContact CG1-CG 4.29Å; V72-Q76 VanDerWaalsContact O-CG 3.31Å; V72-Q76 WeakPolarHBondContact O-CG 3.48Å; V72-Q76 PolarHBondContact O-N 2.75Å; L73-Q76 PolarHBondContact O-N 3.24Å; Q76-R78 VanDerWaalsContact C-N 3.27Å; Q76-R78 PolarHBondContact O-N 3.35Å; Q76-F79 PolarHBondContact O-N 3.43Å; Q76-N82 WeakPolarHBondContact O-CB 3.4Å; Q76-N82 PolarHBondContact O-ND2 3.49Å; Q76-L113 HydrophobicContact CB-CD2 4.16Å; Q76-L113 HydrophobicContact CG-CD2 4.47Å
77	F	86.2	Confident	85.3	Confident	47 Å²	47	55.3 Å²	55.3	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-79.2	-6.7	179.3	-66.5	-55.4	0	0	0	114.1	L73 V74 F79 N82 L86 L113	L73-F77 HydrophobicContact CB-CD2 4.44Å; L73-F77 HydrophobicContact CB-CE2 4.34Å; L73-F77 HydrophobicContact CD2-CE2 4.09Å; L73-F77 WeakPolarHBondContact O-CD2 3.17Å; L73-F77 PolarHBondContact O-N 2.8Å; V74-F77 PolarHBondContact O-N 2.81Å; F77-F79 PolarHBondContact O-N 2.79Å; F77-N82 HydrophobicContact CD1-CB 4.05Å; F77-N82 HydrophobicContact CE1-CB 4.48Å; F77-L86 HydrophobicContact CD1-CB 4.22Å; F77-L86 HydrophobicContact CD1-CD2 3.97Å; F77-L86 HydrophobicContact CD2-CD2 4.4Å; F77-L86 HydrophobicContact CE1-CB 3.85Å; F77-L86 HydrophobicContact CE1-CD1 4.33Å; F77-L86 HydrophobicContact CE1-CD2 3.87Å; F77-L86 HydrophobicContact CE1-CG 4.23Å; F77-L86 HydrophobicContact CE2-CD2 4.3Å; F77-L86 HydrophobicContact CG-CD2 4.25Å; F77-L86 HydrophobicContact CZ-CD1 4.22Å; F77-L86 HydrophobicContact CZ-CD2 4.04Å; F77-L113 HydrophobicContact CE1-CD1 4.3Å; F77-L113 HydrophobicContact CE1-CD2 4.48Å; F77-L113 HydrophobicContact CZ-CD1 3.75Å; F77-L113 HydrophobicContact CZ-CD2 4.33Å
78	R	83.9	Confident	85.4	Confident	223 Å²	223	49.8 Å²	49.8	84%	0.842	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.2	167.4	-173	176.4	170.5	162.8	-0.2	112	V74 E75 Q76	V74-R78 PolarHBondContact O-N 2.82Å; V74-R78 VanDerWaalsContact O-N 3.07Å; E75-R78 WeakPolarHBondContact O-CB 3.44Å; E75-R78 PolarHBondContact O-N 3.23Å; Q76-R78 VanDerWaalsContact C-N 3.27Å; Q76-R78 PolarHBondContact O-N 3.35Å
79	F	77.2	Confident	85.4	Confident	37 Å²	37	48.4 Å²	48.4	16%	0.162	24%	0.241	C	C	.	.	S	Bend	trans	-78.2	130.5	175.2	-66.3	-81.9	0	0	0	111	Q76 F77 L81 N82 L83 V293	Q76-F79 PolarHBondContact O-N 3.43Å; F77-F79 PolarHBondContact O-N 2.79Å; F79-L81 PolarHBondContact O-N 3.25Å; F79-N82 PolarHBondContact O-N 2.95Å; F79-N82 VanDerWaalsContact O-N 3.16Å; F79-L83 PolarHBondContact O-N 2.95Å; F79-L83 VanDerWaalsContact O-N 3.07Å; F79-V293 HydrophobicContact CE1-CG1 4.1Å; F79-V293 HydrophobicContact CZ-CG1 4.24Å; F79-V293 HydrophobicContact CZ-CG2 4.17Å
80	F	84.4	Confident	85.5	Confident	55 Å²	55	48.1 Å²	48.1	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-38.4	-176.1	177.1	-100.4	0	0	0	112.3	L83 F84 N301 T304 K305 F308	F80-L83 PolarHBondContact O-N 3.33Å; F80-F84 VanDerWaalsContact O-CB 3.28Å; F80-F84 WeakPolarHBondContact O-CB 3.24Å; F80-F84 PolarHBondContact O-N 3.11Å; F80-N301 WeakPolarHBondContact CB-OD1 3.3Å; F80-N301 PolarHBondContact N-OD1 3.4Å; F80-T304 HydrophobicContact CD1-CG2 4.08Å; F80-T304 HydrophobicContact CE1-CG2 4.37Å; F80-K305 HydrophobicContact CD1-CG 3.79Å; F80-K305 HydrophobicContact CE1-CG 4.08Å; F80-K305 HydrophobicContact CG-CG 4.13Å; F80-F308 HydrophobicContact CE1-CB 3.84Å; F80-F308 HydrophobicContact CE1-CG 4.09Å; F80-F308 HydrophobicContact CZ-CB 3.97Å; F80-F308 AromaticContact CZ-CD1 3.8Å; F80-F308 HydrophobicContact CZ-CD1 3.8Å; F80-F308 HydrophobicContact CZ-CD2 4.17Å; F80-F308 HydrophobicContact CZ-CE1 4.34Å; F80-F308 AromaticContact CZ-CG 3.7Å; F80-F308 HydrophobicContact CZ-CG 3.7Å
81	L	80.5	Confident	85.5	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-56.1	-51.6	177.1	-177.6	69	0	0	0	112.4	F79 F84 F85 T304 I343 R348	F79-L81 PolarHBondContact O-N 3.25Å; L81-F84 PolarHBondContact O-N 3.18Å; L81-F85 HydrophobicContact CD1-CD2 4.31Å; L81-F85 HydrophobicContact CD1-CE2 3.42Å; L81-F85 VanDerWaalsContact CD1-CE2 3.42Å; L81-F85 HydrophobicContact CD1-CZ 3.88Å; L81-F85 HydrophobicContact CG-CD2 4.22Å; L81-F85 HydrophobicContact CG-CE2 3.67Å; L81-F85 WeakPolarHBondContact O-CD2 3.47Å; L81-F85 PolarHBondContact O-N 3.01Å; L81-T304 HydrophobicContact CB-CG2 4.24Å; L81-T304 HydrophobicContact CD1-CG2 3.61Å; L81-I343 HydrophobicContact CD1-CG2 3.29Å; L81-R348 HydrophobicContact CD2-CB 3.9Å
82	N	82.4	Confident	85.6	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-38.1	-178.4	-68.8	-19	0	0	0	111.6	Q76 F77 F79 F84 F85 L86	Q76-N82 WeakPolarHBondContact O-CB 3.4Å; Q76-N82 PolarHBondContact O-ND2 3.49Å; F77-N82 HydrophobicContact CD1-CB 4.05Å; F77-N82 HydrophobicContact CE1-CB 4.48Å; F79-N82 PolarHBondContact O-N 2.95Å; F79-N82 VanDerWaalsContact O-N 3.16Å; N82-F84 VanDerWaalsContact C-N 3.34Å; N82-F85 PolarHBondContact O-N 3.04Å; N82-L86 PolarHBondContact O-N 2.79Å
83	L	86.9	Confident	85.7	Confident	65 Å²	65	49.5 Å²	49.5	34%	0.34	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-43.4	175.1	-178.5	61.7	0	0	0	111.6	F79 F80 F85 L86 I87	F79-L83 PolarHBondContact O-N 2.95Å; F79-L83 VanDerWaalsContact O-N 3.07Å; F80-L83 PolarHBondContact O-N 3.33Å; L83-F85 PolarHBondContact O-N 2.93Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.13Å; L83-I87 HydrophobicContact CD1-CD1 4.39Å; L83-I87 HydrophobicContact CG-CD1 4.13Å; L83-I87 WeakPolarHBondContact O-CG1 3.43Å; L83-I87 PolarHBondContact O-N 2.91Å
84	F	86.4	Confident	85.8	Confident	12 Å²	12	51.9 Å²	51.9	5%	0.053	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-47.7	176.2	170.8	-103.6	0	0	0	111	F80 L81 N82 L86 I87 M88 F308 I343	F80-F84 VanDerWaalsContact O-CB 3.28Å; F80-F84 WeakPolarHBondContact O-CB 3.24Å; F80-F84 PolarHBondContact O-N 3.11Å; L81-F84 PolarHBondContact O-N 3.18Å; N82-F84 VanDerWaalsContact C-N 3.34Å; F84-L86 VanDerWaalsContact C-N 3.33Å; F84-L86 PolarHBondContact O-N 3.06Å; F84-I87 PolarHBondContact O-N 3.14Å; F84-M88 HydrophobicContact CD1-CG 4.25Å; F84-M88 HydrophobicContact CD2-CG 4.21Å; F84-M88 HydrophobicContact CE1-CG 3.85Å; F84-M88 HydrophobicContact CE2-CG 3.79Å; F84-M88 HydrophobicContact CE2-SD 4.04Å; F84-M88 HydrophobicContact CG-CG 4.42Å; F84-M88 HydrophobicContact CZ-CG 3.61Å; F84-M88 HydrophobicContact CZ-SD 3.86Å; F84-M88 WeakPolarHBondContact O-CB 3.43Å; F84-M88 WeakPolarHBondContact O-CG 3.35Å; F84-M88 PolarHBondContact O-N 2.73Å; F84-F308 AromaticContact CD2-CD2 3.66Å; F84-F308 HydrophobicContact CD2-CD2 3.66Å; F84-F308 AromaticContact CD2-CE2 3.75Å; F84-F308 HydrophobicContact CD2-CE2 3.75Å; F84-F308 AromaticContact CE2-CD2 3.51Å; F84-F308 HydrophobicContact CE2-CD2 3.51Å; F84-F308 AromaticContact CE2-CE2 3.59Å; F84-F308 HydrophobicContact CE2-CE2 3.59Å; F84-F308 HydrophobicContact CZ-CD2 4.37Å; F84-I343 HydrophobicContact CD1-CB 4.5Å; F84-I343 HydrophobicContact CD1-CD1 3.92Å; F84-I343 HydrophobicContact CD1-CG2 4.45Å; F84-I343 HydrophobicContact CE1-CB 4.13Å; F84-I343 HydrophobicContact CE1-CD1 3.71Å; F84-I343 HydrophobicContact CE1-CG1 4.38Å; F84-I343 HydrophobicContact CG-CD1 4.4Å; F84-I343 HydrophobicContact CZ-CD1 4.03Å
85	F	84.7	Confident	85.7	Confident	19 Å²	19	53.2 Å²	53.2	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-33.6	178	-66.7	-52	0	0	0	113.8	L81 N82 L83 M88 A89 L109 I343 L345	L81-F85 HydrophobicContact CD1-CD2 4.31Å; L81-F85 HydrophobicContact CD1-CE2 3.42Å; L81-F85 VanDerWaalsContact CD1-CE2 3.42Å; L81-F85 HydrophobicContact CD1-CZ 3.88Å; L81-F85 HydrophobicContact CG-CD2 4.22Å; L81-F85 HydrophobicContact CG-CE2 3.67Å; L81-F85 WeakPolarHBondContact O-CD2 3.47Å; L81-F85 PolarHBondContact O-N 3.01Å; N82-F85 PolarHBondContact O-N 3.04Å; L83-F85 PolarHBondContact O-N 2.93Å; F85-M88 WeakPolarHBondContact O-CB 3.35Å; F85-M88 PolarHBondContact O-N 3.25Å; F85-A89 WeakPolarHBondContact O-CB 3.32Å; F85-A89 PolarHBondContact O-N 2.92Å; F85-L109 HydrophobicContact CB-CD1 4.05Å; F85-I343 HydrophobicContact CE1-CG2 4.37Å; F85-I343 WeakPolarHBondContact CE1-O 3.45Å; F85-I343 HydrophobicContact CE2-CG2 4.45Å; F85-I343 HydrophobicContact CZ-CB 4.38Å; F85-I343 HydrophobicContact CZ-CG2 3.76Å; F85-I343 VanDerWaalsContact CZ-O 3.3Å; F85-I343 WeakPolarHBondContact CZ-O 3.41Å; F85-L345 HydrophobicContact CB-CD1 4.11Å; F85-L345 HydrophobicContact CD1-CD1 3.82Å; F85-L345 HydrophobicContact CD2-CD1 3.32Å; F85-L345 HydrophobicContact CE1-CB 4Å; F85-L345 HydrophobicContact CE1-CD1 4.02Å; F85-L345 HydrophobicContact CE2-CB 4.21Å; F85-L345 HydrophobicContact CE2-CD1 3.52Å; F85-L345 HydrophobicContact CE2-CG 4.45Å; F85-L345 HydrophobicContact CG-CD1 3.48Å; F85-L345 VanDerWaalsContact CG-CD1 3.48Å; F85-L345 HydrophobicContact CZ-CB 3.81Å; F85-L345 HydrophobicContact CZ-CD1 3.88Å; F85-L345 HydrophobicContact CZ-CG 4.45Å
86	L	88.7	Confident	85.8	Confident	39 Å²	39	57.3 Å²	57.3	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-47.7	173.5	-178.8	64.3	0	0	0	111.3	F77 N82 L83 F84 M88 A89 L90 W106	F77-L86 HydrophobicContact CD1-CB 4.22Å; F77-L86 HydrophobicContact CD1-CD2 3.97Å; F77-L86 HydrophobicContact CD2-CD2 4.4Å; F77-L86 HydrophobicContact CE1-CB 3.85Å; F77-L86 HydrophobicContact CE1-CD1 4.33Å; F77-L86 HydrophobicContact CE1-CD2 3.87Å; F77-L86 HydrophobicContact CE1-CG 4.23Å; F77-L86 HydrophobicContact CE2-CD2 4.3Å; F77-L86 HydrophobicContact CG-CD2 4.25Å; F77-L86 HydrophobicContact CZ-CD1 4.22Å; F77-L86 HydrophobicContact CZ-CD2 4.04Å; N82-L86 PolarHBondContact O-N 2.79Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.13Å; F84-L86 VanDerWaalsContact C-N 3.33Å; F84-L86 PolarHBondContact O-N 3.06Å; L86-M88 VanDerWaalsContact C-N 3.29Å; L86-M88 PolarHBondContact O-N 3.15Å; L86-A89 PolarHBondContact O-N 2.78Å; L86-L90 HydrophobicContact CD1-CD1 4.24Å; L86-L90 HydrophobicContact CD1-CG 4.34Å; L86-L90 HydrophobicContact CG-CD1 4Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 VanDerWaalsContact O-CG 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.02Å; L86-L90 PolarHBondContact O-N 2.99Å; L86-W106 HydrophobicContact CD1-CH2 4.46Å
87	I	89.7	Confident	85.8	Confident	103 Å²	103	57.5 Å²	57.5	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-44.5	177.6	-67.3	167.3	0	0	0	110.4	L83 F84 L90 S91	L83-I87 HydrophobicContact CD1-CD1 4.39Å; L83-I87 HydrophobicContact CG-CD1 4.13Å; L83-I87 WeakPolarHBondContact O-CG1 3.43Å; L83-I87 PolarHBondContact O-N 2.91Å; F84-I87 PolarHBondContact O-N 3.14Å; I87-L90 PolarHBondContact O-N 2.55Å; I87-S91 PolarHBondContact O-N 2.84Å
88	M	86.2	Confident	85.6	Confident	10 Å²	10	60 Å²	60	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-47.8	175.8	-77.3	-65.4	-48.5	0	0	112.5	F84 F85 L86 S91 Y105 L337 S340	F84-M88 HydrophobicContact CD1-CG 4.25Å; F84-M88 HydrophobicContact CD2-CG 4.21Å; F84-M88 HydrophobicContact CE1-CG 3.85Å; F84-M88 HydrophobicContact CE2-CG 3.79Å; F84-M88 HydrophobicContact CE2-SD 4.04Å; F84-M88 HydrophobicContact CG-CG 4.42Å; F84-M88 HydrophobicContact CZ-CG 3.61Å; F84-M88 HydrophobicContact CZ-SD 3.86Å; F84-M88 WeakPolarHBondContact O-CB 3.43Å; F84-M88 WeakPolarHBondContact O-CG 3.35Å; F84-M88 PolarHBondContact O-N 2.73Å; F85-M88 WeakPolarHBondContact O-CB 3.35Å; F85-M88 PolarHBondContact O-N 3.25Å; L86-M88 VanDerWaalsContact C-N 3.29Å; L86-M88 PolarHBondContact O-N 3.15Å; M88-S91 PolarHBondContact O-N 3.1Å; M88-S91 PolarHBondContact O-OG 2.79Å; M88-Y105 HydrophobicContact CE-CD1 4.45Å; M88-Y105 HydrophobicContact CE-CE1 3.95Å; M88-L337 HydrophobicContact CE-CB 4.29Å; M88-L337 HydrophobicContact CE-CD2 3.05Å; M88-L337 HydrophobicContact CE-CG 4.22Å; M88-L337 HydrophobicContact SD-CD2 3.56Å; M88-L337 VanDerWaalsContact SD-CD2 3.56Å; M88-S340 VanDerWaalsContact CE-OG 3.26Å; M88-S340 WeakPolarHBondContact CE-OG 3.31Å
89	A	87.1	Confident	85.4	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-39.4	178.7	0	0	0	0	0	112.4	F85 L86 S91 Q92 W106 L109	F85-A89 WeakPolarHBondContact O-CB 3.32Å; F85-A89 PolarHBondContact O-N 2.92Å; L86-A89 PolarHBondContact O-N 2.78Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 3.49Å; A89-Q92 PolarHBondContact O-N 2.87Å; A89-W106 HydrophobicContact CB-CD2 4.2Å; A89-W106 HydrophobicContact CB-CG 4.38Å; A89-W106 HydrophobicContact CB-CZ2 4.16Å; A89-W106 PolarHBondContact O-NE1 3.46Å; A89-L109 HydrophobicContact CB-CD2 4.04Å
90	L	90.7	Very high	85.3	Confident	88 Å²	88	50.7 Å²	50.7	46%	0.461	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-37.5	176.3	-73.3	171.1	0	0	0	112.2	L86 I87 Q92 F93 W106	L86-L90 HydrophobicContact CD1-CD1 4.24Å; L86-L90 HydrophobicContact CD1-CG 4.34Å; L86-L90 HydrophobicContact CG-CD1 4Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 VanDerWaalsContact O-CG 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.02Å; L86-L90 PolarHBondContact O-N 2.99Å; I87-L90 PolarHBondContact O-N 2.55Å; L90-Q92 PolarHBondContact O-N 3.39Å; L90-Q92 VanDerWaalsContact O-N 3.17Å; L90-F93 HydrophobicContact CD2-CE2 4.49Å; L90-F93 WeakPolarHBondContact O-CD2 3.14Å; L90-F93 PolarHBondContact O-N 2.89Å; L90-W106 HydrophobicContact CD2-CZ2 4.15Å
91	S	89.6	Confident	85.1	Confident	19 Å²	19	56.8 Å²	56.8	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-24	178.9	74.6	0	0	0	0	113.7	I87 M88 A89 F93 L94 L337	I87-S91 PolarHBondContact O-N 2.84Å; M88-S91 PolarHBondContact O-N 3.1Å; M88-S91 PolarHBondContact O-OG 2.79Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 3.49Å; S91-F93 PolarHBondContact O-N 3.35Å; S91-L94 WeakPolarHBondContact O-CB 3.44Å; S91-L94 PolarHBondContact O-N 3.31Å; S91-L94 VanDerWaalsContact O-N 3.14Å; S91-L337 WeakPolarHBondContact OG-CD2 3.16Å
92	Q	88	Confident	85.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.5	179.7	-59.1	-51.8	-59.3	0	0	114	A89 L90 L94 R98 L102 Y105 L337	A89-Q92 PolarHBondContact O-N 2.87Å; L90-Q92 PolarHBondContact O-N 3.39Å; L90-Q92 VanDerWaalsContact O-N 3.17Å; Q92-L94 VanDerWaalsContact C-N 3.29Å; Q92-R98 PolarHBondContact O-NE 3.16Å; Q92-R98 VanDerWaalsContact O-NE 3.16Å; Q92-R98 PolarHBondContact O-NH2 3.4Å; Q92-L102 HydrophobicContact CB-CD2 3.97Å; Q92-Y105 HydrophobicContact CG-CD2 3.6Å; Q92-Y105 HydrophobicContact CG-CE2 3.97Å; Q92-Y105 HydrophobicContact CG-CG 3.92Å; Q92-L337 VanDerWaalsContact NE2-CD1 3.31Å; Q92-L337 VanDerWaalsContact NE2-CD2 3.27Å
93	F	88.8	Confident	85.3	Confident	114 Å²	114	62.8 Å²	62.8	50%	0.5	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.6	170.8	-73	-69.9	0	0	0	112.3	L90 S91 P95 L102 W106	L90-F93 HydrophobicContact CD2-CE2 4.49Å; L90-F93 WeakPolarHBondContact O-CD2 3.14Å; L90-F93 PolarHBondContact O-N 2.89Å; S91-F93 PolarHBondContact O-N 3.35Å; F93-P95 VanDerWaalsContact O-CD 3.27Å; F93-P95 WeakPolarHBondContact O-CD 3.32Å; F93-L102 HydrophobicContact CD1-CD2 4.01Å; F93-L102 HydrophobicContact CE1-CD2 3.95Å; F93-L102 HydrophobicContact CG-CD2 4.43Å; F93-L102 HydrophobicContact CZ-CD2 4.32Å; F93-W106 AromaticContact CE2-CE2 3.82Å; F93-W106 AromaticContact CE2-CZ2 3.74Å; F93-W106 HydrophobicContact CE2-CZ2 3.74Å; F93-W106 AromaticContact CE2-NE1 3.49Å; F93-W106 HydrophobicContact CZ-CZ2 4.38Å; F93-W106 AromaticContact CZ-NE1 3.84Å
94	L	89.1	Confident	85	Confident	101 Å²	101	60.3 Å²	60.3	53%	0.529	31%	0.308	S	S	.	.	S	Bend	trans	-78	113.3	176.7	-64.5	173.6	0	0	0	109.7	S91 Q92 Q96 L97 R98	S91-L94 WeakPolarHBondContact O-CB 3.44Å; S91-L94 PolarHBondContact O-N 3.31Å; S91-L94 VanDerWaalsContact O-N 3.14Å; Q92-L94 VanDerWaalsContact C-N 3.29Å; L94-Q96 PolarHBondContact O-N 3.03Å; L94-Q96 VanDerWaalsContact O-N 3.13Å; L94-L97 HydrophobicContact CB-CB 4.32Å; L94-L97 HydrophobicContact CB-CD1 4.17Å; L94-L97 HydrophobicContact CB-CG 4.18Å; L94-L97 HydrophobicContact CD1-CD1 3.75Å; L94-L97 PolarHBondContact O-N 2.84Å; L94-R98 PolarHBondContact O-N 2.82Å
95	P	83.8	Confident	84.8	Confident	98 Å²	98	60.9 Å²	60.9	64%	0.636	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.9	-173.3	-24.5	34.2	0	0	0	113.5	F93 L97 R98	F93-P95 VanDerWaalsContact O-CD 3.27Å; F93-P95 WeakPolarHBondContact O-CD 3.32Å; P95-L97 VanDerWaalsContact C-N 3.27Å; P95-L97 PolarHBondContact O-N 3.36Å; P95-R98 PolarHBondContact O-N 2.94Å
96	Q	83.6	Confident	84.9	Confident	141 Å²	141	63.5 Å²	63.5	66%	0.659	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27	179.1	-62.7	-179.8	-2.2	0	0	113.1	L94 R334	L94-Q96 PolarHBondContact O-N 3.03Å; L94-Q96 VanDerWaalsContact O-N 3.13Å; Q96-R334 PolarHBondContact O-NE 2.91Å
97	L	83.9	Confident	84.7	Confident	21 Å²	21	63.5 Å²	63.5	11%	0.11	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-12.3	-179.5	-59.1	-176.5	0	0	0	112.8	L94 P95 I99 V330 F333 L337	L94-L97 HydrophobicContact CB-CB 4.32Å; L94-L97 HydrophobicContact CB-CD1 4.17Å; L94-L97 HydrophobicContact CB-CG 4.18Å; L94-L97 HydrophobicContact CD1-CD1 3.75Å; L94-L97 PolarHBondContact O-N 2.84Å; P95-L97 VanDerWaalsContact C-N 3.27Å; P95-L97 PolarHBondContact O-N 3.36Å; L97-I99 PolarHBondContact O-N 3.02Å; L97-V330 HydrophobicContact CD2-CG1 4.23Å; L97-F333 HydrophobicContact CD2-CB 3.72Å; L97-F333 HydrophobicContact CD2-CG 4.47Å; L97-L337 HydrophobicContact CB-CD1 4.26Å; L97-L337 WeakPolarHBondContact O-CD1 3.31Å
98	R	83.1	Confident	84.1	Confident	98 Å²	98	59.6 Å²	59.6	37%	0.37	31%	0.31	S	S	.	.			trans	-64.2	131.6	-176.2	-170.2	178.1	-69.3	169.2	-0.7	111.3	Q92 L94 P95 G100 R334	Q92-R98 PolarHBondContact O-NE 3.16Å; Q92-R98 VanDerWaalsContact O-NE 3.16Å; Q92-R98 PolarHBondContact O-NH2 3.4Å; L94-R98 PolarHBondContact O-N 2.82Å; P95-R98 PolarHBondContact O-N 2.94Å; R98-G100 WeakPolarHBondContact CG-O 3.48Å; R98-R334 PolarHBondContact O-NH2 3.35Å
99	I	77.6	Confident	84	Confident	40 Å²	40	59.2 Å²	59.2	21%	0.205	31%	0.309	C	S	.	.			trans	-118.1	-34.1	176.6	-61.5	163.9	0	0	0	111.2	L97 R334 L337 L338	L97-I99 PolarHBondContact O-N 3.02Å; I99-R334 HydrophobicContact CD1-CB 4.23Å; I99-R334 HydrophobicContact CD1-CG 4.32Å; I99-R334 VanDerWaalsContact CD1-O 3.26Å; I99-R334 WeakPolarHBondContact CD1-O 3.5Å; I99-R334 HydrophobicContact CG1-CG 4.24Å; I99-L337 HydrophobicContact CD1-CB 3.36Å; I99-L337 HydrophobicContact CD1-CD1 3.69Å; I99-L337 HydrophobicContact CD1-CG 4.16Å; I99-L337 HydrophobicContact CG1-CD1 4.3Å; I99-L338 HydrophobicContact CD1-CD2 4.43Å; I99-L338 HydrophobicContact CD1-CG 4.07Å; I99-L338 HydrophobicContact CG2-CD2 3.95Å
100	G	75.2	Confident	84	Confident	25 Å²	25	62 Å²	62	26%	0.258	33%	0.327	S	S	.	.	S	Bend	trans	-138.4	-174.1	-179	0	0	0	0	0	113.1	R98	R98-G100 WeakPolarHBondContact CG-O 3.48Å
101	Y	80.9	Confident	83.6	Confident	183 Å²	183	63.5 Å²	63.5	72%	0.718	33%	0.33	S	S	*	.			trans	-66.2	139.2	175.5	-62.7	-74.4	0	0	0	111.1	S103 T104	Y101-S103 PolarHBondContact O-N 2.84Å; Y101-S103 VanDerWaalsContact O-N 3.17Å; Y101-T104 VanDerWaalsContact O-CB 3.26Å; Y101-T104 WeakPolarHBondContact O-CB 3.38Å; Y101-T104 PolarHBondContact O-N 3.36Å; Y101-T104 PolarHBondContact O-OG1 3.12Å
102	L	84.5	Confident	83	Confident	56 Å²	56	62.9 Å²	62.9	29%	0.293	33%	0.326	S	S	.	.	H	α-helix	trans	-52.6	-36.3	177.1	-76.7	145.9	0	0	0	112.6	Q92 F93 T104 Y105 W106	Q92-L102 HydrophobicContact CB-CD2 3.97Å; F93-L102 HydrophobicContact CD1-CD2 4.01Å; F93-L102 HydrophobicContact CE1-CD2 3.95Å; F93-L102 HydrophobicContact CG-CD2 4.43Å; F93-L102 HydrophobicContact CZ-CD2 4.32Å; L102-T104 PolarHBondContact O-N 2.8Å; L102-Y105 PolarHBondContact O-N 2.8Å; L102-W106 PolarHBondContact O-N 3.47Å; L102-W106 VanDerWaalsContact O-N 3.09Å
103	S	83.7	Confident	82.8	Confident	85 Å²	85	63.8 Å²	63.8	59%	0.594	33%	0.33	S	S	*	.	H	α-helix	trans	-57.8	-30	178.2	53	0	0	0	0	113.4	Y101 Y105 G107	Y101-S103 PolarHBondContact O-N 2.84Å; Y101-S103 VanDerWaalsContact O-N 3.17Å; S103-Y105 VanDerWaalsContact C-N 3.3Å; S103-Y105 PolarHBondContact O-N 2.89Å; S103-G107 WeakPolarHBondContact O-CA 3.41Å; S103-G107 PolarHBondContact O-N 3.05Å
104	T	80.7	Confident	82.7	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.08	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-33.8	-178.4	-43.9	0	0	0	0	112.4	Y101 L102 P108 G852 V856	Y101-T104 VanDerWaalsContact O-CB 3.26Å; Y101-T104 WeakPolarHBondContact O-CB 3.38Å; Y101-T104 PolarHBondContact O-N 3.36Å; Y101-T104 PolarHBondContact O-OG1 3.12Å; L102-T104 PolarHBondContact O-N 2.8Å; T104-P108 VanDerWaalsContact O-CD 3.26Å; T104-P108 WeakPolarHBondContact O-CD 2.96Å; T104-P108 WeakPolarHBondContact O-CG 3.18Å; T104-G852 WeakPolarHBondContact CG2-O 3.06Å; T104-V856 HydrophobicContact CG2-CG2 3.84Å
105	Y	82.1	Confident	82.4	Confident	25 Å²	25	59.4 Å²	59.4	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-98.1	-45.1	-177.4	-66.1	-89.9	0	0	0	111.7	M88 Q92 L102 S103 L109	M88-Y105 HydrophobicContact CE-CD1 4.45Å; M88-Y105 HydrophobicContact CE-CE1 3.95Å; Q92-Y105 HydrophobicContact CG-CD2 3.6Å; Q92-Y105 HydrophobicContact CG-CE2 3.97Å; Q92-Y105 HydrophobicContact CG-CG 3.92Å; L102-Y105 PolarHBondContact O-N 2.8Å; S103-Y105 VanDerWaalsContact C-N 3.3Å; S103-Y105 PolarHBondContact O-N 2.89Å; Y105-L109 WeakPolarHBondContact O-CB 3.36Å
106	W	86.7	Confident	82	Confident	73 Å²	73	55.2 Å²	55.2	28%	0.277	29%	0.288	S	S	.	.	H	α-helix	trans	-72.7	-39.3	-179.2	-83	94.4	0	0	0	112.9	L86 A89 L90 F93 L102 L109 C110	L86-W106 HydrophobicContact CD1-CH2 4.46Å; A89-W106 HydrophobicContact CB-CD2 4.2Å; A89-W106 HydrophobicContact CB-CG 4.38Å; A89-W106 HydrophobicContact CB-CZ2 4.16Å; A89-W106 PolarHBondContact O-NE1 3.46Å; L90-W106 HydrophobicContact CD2-CZ2 4.15Å; F93-W106 AromaticContact CE2-CE2 3.82Å; F93-W106 AromaticContact CE2-CZ2 3.74Å; F93-W106 HydrophobicContact CE2-CZ2 3.74Å; F93-W106 AromaticContact CE2-NE1 3.49Å; F93-W106 HydrophobicContact CZ-CZ2 4.38Å; F93-W106 AromaticContact CZ-NE1 3.84Å; L102-W106 PolarHBondContact O-N 3.47Å; L102-W106 VanDerWaalsContact O-N 3.09Å; W106-L109 PolarHBondContact O-N 2.82Å; W106-C110 WeakPolarHBondContact O-CB 3.37Å; W106-C110 PolarHBondContact O-N 3.22Å; W106-C110 PolarHBondContact O-SG 3.21Å; W106-C110 VanDerWaalsContact O-SG 3.33Å
107	G	83.6	Confident	82.1	Confident	39 Å²	39	50 Å²	50	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-53.9	-60.2	-177.8	0	0	0	0	0	112.6	S103 L109 C110 F111	S103-G107 WeakPolarHBondContact O-CA 3.41Å; S103-G107 PolarHBondContact O-N 3.05Å; G107-L109 PolarHBondContact O-N 2.89Å; G107-C110 PolarHBondContact O-N 2.89Å; G107-F111 WeakPolarHBondContact O-CB 3.36Å; G107-F111 PolarHBondContact O-N 2.78Å
108	P	78	Confident	82.2	Confident	21 Å²	21	52.7 Å²	52.7	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-30.3	-179.4	21.6	-26.6	0	0	0	113.5	T104 F111 V112 L345	T104-P108 VanDerWaalsContact O-CD 3.26Å; T104-P108 WeakPolarHBondContact O-CD 2.96Å; T104-P108 WeakPolarHBondContact O-CG 3.18Å; P108-F111 PolarHBondContact O-N 2.82Å; P108-V112 WeakPolarHBondContact O-CG2 3.48Å; P108-V112 PolarHBondContact O-N 2.91Å; P108-L345 HydrophobicContact CB-CD2 3.35Å; P108-L345 HydrophobicContact CB-CG 4.24Å; P108-L345 HydrophobicContact CG-CD2 3.39Å
109	L	83.4	Confident	82	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-48	172.3	178.1	62.9	0	0	0	112	F85 A89 Y105 W106 G107 F111 V112 L113	F85-L109 HydrophobicContact CB-CD1 4.05Å; A89-L109 HydrophobicContact CB-CD2 4.04Å; Y105-L109 WeakPolarHBondContact O-CB 3.36Å; W106-L109 PolarHBondContact O-N 2.82Å; G107-L109 PolarHBondContact O-N 2.89Å; L109-F111 VanDerWaalsContact C-N 3.29Å; L109-F111 PolarHBondContact O-N 2.92Å; L109-V112 PolarHBondContact O-N 3.39Å; L109-L113 HydrophobicContact CD1-CD1 4.06Å; L109-L113 HydrophobicContact CD1-CG 4.29Å; L109-L113 HydrophobicContact CG-CD1 4.07Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 2.97Å
110	C	86.9	Confident	82.1	Confident	59 Å²	59	48.6 Å²	48.6	40%	0.399	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-40.8	175.9	-73.4	0	0	0	0	111.3	W106 G107 L113 T114	W106-C110 WeakPolarHBondContact O-CB 3.37Å; W106-C110 PolarHBondContact O-N 3.22Å; W106-C110 PolarHBondContact O-SG 3.21Å; W106-C110 VanDerWaalsContact O-SG 3.33Å; G107-C110 PolarHBondContact O-N 2.89Å; C110-L113 PolarHBondContact O-N 2.77Å; C110-T114 WeakPolarHBondContact O-CB 3.38Å; C110-T114 PolarHBondContact O-N 3.49Å; C110-T114 PolarHBondContact O-OG1 2.82Å
111	F	82.6	Confident	82.5	Confident	120 Å²	120	49.2 Å²	49.2	53%	0.526	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-47.3	176.1	-178.4	-105.2	0	0	0	112	G107 P108 L109 L113 T114 I115 V349	G107-F111 WeakPolarHBondContact O-CB 3.36Å; G107-F111 PolarHBondContact O-N 2.78Å; P108-F111 PolarHBondContact O-N 2.82Å; L109-F111 VanDerWaalsContact C-N 3.29Å; L109-F111 PolarHBondContact O-N 2.92Å; F111-L113 PolarHBondContact O-N 3.27Å; F111-T114 PolarHBondContact O-N 2.87Å; F111-I115 HydrophobicContact CD1-CD1 4.02Å; F111-I115 HydrophobicContact CE1-CD1 3.47Å; F111-I115 VanDerWaalsContact CE1-CD1 3.47Å; F111-I115 HydrophobicContact CE2-CD1 4.03Å; F111-I115 HydrophobicContact CZ-CD1 3.49Å; F111-I115 VanDerWaalsContact CZ-CD1 3.49Å; F111-I115 PolarHBondContact O-N 2.82Å; F111-I115 VanDerWaalsContact O-N 3.15Å; F111-V349 HydrophobicContact CE1-CG1 4.39Å
112	V	77.6	Confident	82.6	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-51.7	176.9	178.7	0	0	0	0	110.8	P108 L109 T114 I115 T116 L345 R348 V349	P108-V112 WeakPolarHBondContact O-CG2 3.48Å; P108-V112 PolarHBondContact O-N 2.91Å; L109-V112 PolarHBondContact O-N 3.39Å; V112-T114 VanDerWaalsContact C-N 3.31Å; V112-T114 PolarHBondContact O-N 3.15Å; V112-I115 PolarHBondContact O-N 2.86Å; V112-T116 PolarHBondContact O-N 3.45Å; V112-T116 VanDerWaalsContact O-N 3.16Å; V112-T116 PolarHBondContact O-OG1 3.04Å; V112-L345 HydrophobicContact CG2-CD1 4.32Å; V112-L345 HydrophobicContact CG2-CG 4.43Å; V112-R348 HydrophobicContact CG1-CB 4.49Å; V112-V349 HydrophobicContact CB-CG2 3.65Å; V112-V349 HydrophobicContact CG1-CG2 3.61Å; V112-V349 HydrophobicContact CG2-CG2 3.19Å
113	L	83.6	Confident	82.1	Confident	20 Å²	20	45.2 Å²	45.2	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-36.8	-177.5	-69.8	172.4	0	0	0	111.8	Q76 F77 L109 C110 F111 T116 I117	Q76-L113 HydrophobicContact CB-CD2 4.16Å; Q76-L113 HydrophobicContact CG-CD2 4.47Å; F77-L113 HydrophobicContact CE1-CD1 4.3Å; F77-L113 HydrophobicContact CE1-CD2 4.48Å; F77-L113 HydrophobicContact CZ-CD1 3.75Å; F77-L113 HydrophobicContact CZ-CD2 4.33Å; L109-L113 HydrophobicContact CD1-CD1 4.06Å; L109-L113 HydrophobicContact CD1-CG 4.29Å; L109-L113 HydrophobicContact CG-CD1 4.07Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 2.97Å; C110-L113 PolarHBondContact O-N 2.77Å; F111-L113 PolarHBondContact O-N 3.27Å; L113-T116 WeakPolarHBondContact CA-OG1 3.41Å; L113-T116 PolarHBondContact O-N 3.34Å; L113-T116 PolarHBondContact O-OG1 3.45Å; L113-I117 HydrophobicContact CB-CD1 4.43Å; L113-I117 VanDerWaalsContact O-CB 3.31Å; L113-I117 WeakPolarHBondContact O-CB 3.27Å; L113-I117 VanDerWaalsContact O-CD1 3.29Å; L113-I117 WeakPolarHBondContact O-CD1 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.5Å; L113-I117 PolarHBondContact O-N 3.21Å
114	T	86.8	Confident	81.9	Confident	78 Å²	78	41.7 Å²	41.7	48%	0.479	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-46.3	177.7	-56.4	0	0	0	0	110.7	C110 F111 V112 T116 I117 C118	C110-T114 WeakPolarHBondContact O-CB 3.38Å; C110-T114 PolarHBondContact O-N 3.49Å; C110-T114 PolarHBondContact O-OG1 2.82Å; F111-T114 PolarHBondContact O-N 2.87Å; V112-T114 VanDerWaalsContact C-N 3.31Å; V112-T114 PolarHBondContact O-N 3.15Å; T114-T116 PolarHBondContact O-N 3.09Å; T114-I117 PolarHBondContact O-N 3.46Å; T114-C118 WeakPolarHBondContact O-CB 3.43Å; T114-C118 PolarHBondContact O-N 2.8Å; T114-C118 PolarHBondContact O-SG 3.33Å
115	I	81.3	Confident	82.1	Confident	45 Å²	45	47 Å²	47	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-44.6	178.9	-68.4	173.9	0	0	0	111.1	F111 V112 C118 R119 V349	F111-I115 HydrophobicContact CD1-CD1 4.02Å; F111-I115 HydrophobicContact CE1-CD1 3.47Å; F111-I115 VanDerWaalsContact CE1-CD1 3.47Å; F111-I115 HydrophobicContact CE2-CD1 4.03Å; F111-I115 HydrophobicContact CZ-CD1 3.49Å; F111-I115 VanDerWaalsContact CZ-CD1 3.49Å; F111-I115 PolarHBondContact O-N 2.82Å; F111-I115 VanDerWaalsContact O-N 3.15Å; V112-I115 PolarHBondContact O-N 2.86Å; I115-C118 PolarHBondContact O-N 2.65Å; I115-R119 WeakPolarHBondContact O-CB 3.46Å; I115-R119 PolarHBondContact O-N 3.43Å; I115-V349 HydrophobicContact CD1-CG1 4.01Å
116	T	76.9	Confident	81.9	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-40.6	-179.2	55.8	0	0	0	0	112.1	V112 L113 T114 R119 E120	V112-T116 PolarHBondContact O-N 3.45Å; V112-T116 VanDerWaalsContact O-N 3.16Å; V112-T116 PolarHBondContact O-OG1 3.04Å; L113-T116 WeakPolarHBondContact CA-OG1 3.41Å; L113-T116 PolarHBondContact O-N 3.34Å; L113-T116 PolarHBondContact O-OG1 3.45Å; T114-T116 PolarHBondContact O-N 3.09Å; T116-R119 PolarHBondContact O-N 3.39Å; T116-E120 PolarHBondContact O-N 3.23Å
117	I	85.3	Confident	81.5	Confident	31 Å²	31	48.9 Å²	48.9	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-46.7	175.5	-68.6	163.6	0	0	0	110.8	F68 L69 V72 L73 L113 T114 R119 E120 A121	F68-I117 HydrophobicContact CE1-CG2 3.87Å; F68-I117 HydrophobicContact CZ-CG2 4.42Å; L69-I117 HydrophobicContact CD1-CD1 3.82Å; L69-I117 HydrophobicContact CD1-CG1 4.48Å; L69-I117 HydrophobicContact CD1-CG2 4.16Å; V72-I117 HydrophobicContact CG1-CG1 3.91Å; L73-I117 HydrophobicContact CD2-CD1 3.98Å; L113-I117 HydrophobicContact CB-CD1 4.43Å; L113-I117 VanDerWaalsContact O-CB 3.31Å; L113-I117 WeakPolarHBondContact O-CB 3.27Å; L113-I117 VanDerWaalsContact O-CD1 3.29Å; L113-I117 WeakPolarHBondContact O-CD1 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.5Å; L113-I117 PolarHBondContact O-N 3.21Å; T114-I117 PolarHBondContact O-N 3.46Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 2.96Å; I117-E120 PolarHBondContact O-N 3.25Å; I117-A121 VanDerWaalsContact O-CB 3.27Å; I117-A121 WeakPolarHBondContact O-CB 3.38Å; I117-A121 PolarHBondContact O-N 2.91Å
118	C	85.9	Confident	81.4	Confident	79 Å²	79	52 Å²	52	53%	0.534	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-39.8	177.8	-73.4	0	0	0	0	112	T114 I115 A121 Y122	T114-C118 WeakPolarHBondContact O-CB 3.43Å; T114-C118 PolarHBondContact O-N 2.8Å; T114-C118 PolarHBondContact O-SG 3.33Å; I115-C118 PolarHBondContact O-N 2.65Å; C118-A121 PolarHBondContact O-N 2.81Å; C118-Y122 WeakPolarHBondContact O-CB 3.31Å; C118-Y122 PolarHBondContact O-N 3.23Å
119	R	78.2	Confident	81.8	Confident	32 Å²	32	54.3 Å²	54.3	12%	0.121	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-50.1	176.4	177.6	-176.7	168.8	-170.1	-2	112.1	I115 T116 I117 A121 Y122 D123 D352 S376	I115-R119 WeakPolarHBondContact O-CB 3.46Å; I115-R119 PolarHBondContact O-N 3.43Å; T116-R119 PolarHBondContact O-N 3.39Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 2.96Å; R119-A121 PolarHBondContact O-N 3.28Å; R119-Y122 WeakPolarHBondContact O-CB 3.4Å; R119-Y122 PolarHBondContact O-N 3.4Å; R119-D123 PolarHBondContact O-N 3.37Å; R119-D352 IonicContact NH1-OD1 2.63Å; R119-D352 PolarHBondContact NH1-OD1 3.09Å; R119-D352 VanDerWaalsContact NH1-OD1 3.13Å; R119-S376 PolarHBondContact NE-OG 3.3Å; R119-S376 VanDerWaalsContact NH2-CB 3.27Å; R119-S376 PolarHBondContact NH2-O 3.29Å; R119-S376 PolarHBondContact NH2-OG 3.45Å
120	E	79.4	Confident	81.4	Confident	19 Å²	19	57.1 Å²	57.1	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-36.3	178.9	-165.3	69.5	-154.7	0	0	110.8	K62 F68 V72 T116 I117 Y122 D123 D124	K62-E120 WeakPolarHBondContact CD-OE1 3.41Å; K62-E120 IonicContact NZ-OE1 2.7Å; K62-E120 PolarHBondContact NZ-OE1 3.18Å; F68-E120 HydrophobicContact CE2-CB 4.27Å; F68-E120 HydrophobicContact CE2-CG 4.07Å; F68-E120 HydrophobicContact CZ-CB 4.18Å; F68-E120 HydrophobicContact CZ-CG 4.47Å; V72-E120 HydrophobicContact CG2-CB 4.47Å; V72-E120 HydrophobicContact CG2-CG 4.01Å; T116-E120 PolarHBondContact O-N 3.23Å; I117-E120 PolarHBondContact O-N 3.25Å; E120-Y122 VanDerWaalsContact C-N 3.34Å; E120-Y122 PolarHBondContact O-N 2.97Å; E120-D123 PolarHBondContact O-N 2.89Å; E120-D124 WeakPolarHBondContact O-CB 3.39Å; E120-D124 PolarHBondContact O-N 3.32Å
121	A	84.8	Confident	81.2	Confident	38 Å²	38	54.6 Å²	54.6	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-42	175.7	0	0	0	0	0	111.4	F68 I117 C118 R119 F125	F68-A121 HydrophobicContact CE1-CB 3.84Å; F68-A121 HydrophobicContact CE2-CB 4.34Å; F68-A121 VanDerWaalsContact CZ-CA 3.45Å; F68-A121 HydrophobicContact CZ-CB 3.53Å; I117-A121 VanDerWaalsContact O-CB 3.27Å; I117-A121 WeakPolarHBondContact O-CB 3.38Å; I117-A121 PolarHBondContact O-N 2.91Å; C118-A121 PolarHBondContact O-N 2.81Å; R119-A121 PolarHBondContact O-N 3.28Å; A121-F125 VanDerWaalsContact O-CB 3.24Å; A121-F125 WeakPolarHBondContact O-CB 3.35Å; A121-F125 PolarHBondContact O-N 3.4Å
122	Y	83.6	Confident	81.4	Confident	128 Å²	128	54.9 Å²	54.9	50%	0.502	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176.7	179.3	-102.7	0	0	0	112.2	C118 R119 E120 F125 K126	C118-Y122 WeakPolarHBondContact O-CB 3.31Å; C118-Y122 PolarHBondContact O-N 3.23Å; R119-Y122 WeakPolarHBondContact O-CB 3.4Å; R119-Y122 PolarHBondContact O-N 3.4Å; E120-Y122 VanDerWaalsContact C-N 3.34Å; E120-Y122 PolarHBondContact O-N 2.97Å; Y122-F125 PolarHBondContact O-N 3.33Å; Y122-K126 HydrophobicContact CD1-CD 4.45Å; Y122-K126 HydrophobicContact CE1-CD 3.89Å; Y122-K126 VanDerWaalsContact CE1-NZ 3.26Å; Y122-K126 PolarHBondContact O-N 3.09Å; Y122-K126 WeakPolarHBondContact OH-CE 3.07Å; Y122-K126 PolarHBondContact OH-NZ 3.08Å
123	D	73.5	Confident	81.9	Confident	27 Å²	27	60.8 Å²	60.8	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-39.1	179.2	-76.1	-11.6	0	0	0	111.8	R119 E120 K126 R127 S376	R119-D123 PolarHBondContact O-N 3.37Å; E120-D123 PolarHBondContact O-N 2.89Å; D123-K126 PolarHBondContact O-N 3Å; D123-R127 WeakPolarHBondContact O-CG 3.26Å; D123-R127 PolarHBondContact O-N 2.74Å; D123-S376 PolarHBondContact OD2-OG 3.2Å
124	D	79.9	Confident	81.7	Confident	11 Å²	11	62.3 Å²	62.3	6%	0.059	30%	0.302	C	S	.	.	H	α-helix	trans	-73.5	-34	176.5	-156.4	61.9	0	0	0	112.3	Q61 K62 E120 K126 R127 Y128	Q61-D124 WeakPolarHBondContact CA-OD1 3.35Å; Q61-D124 PolarHBondContact NE2-OD2 2.94Å; K62-D124 PolarHBondContact N-OD1 3.29Å; E120-D124 WeakPolarHBondContact O-CB 3.39Å; E120-D124 PolarHBondContact O-N 3.32Å; D124-K126 VanDerWaalsContact C-N 3.35Å; D124-K126 PolarHBondContact O-N 2.66Å; D124-R127 WeakPolarHBondContact O-CB 3.48Å; D124-R127 PolarHBondContact O-N 2.84Å; D124-R127 VanDerWaalsContact O-N 3.1Å; D124-Y128 PolarHBondContact O-N 3.24Å
125	F	84.3	Confident	81.8	Confident	125 Å²	125	59.4 Å²	59.4	55%	0.548	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-41.2	171.6	-178.5	-100.5	0	0	0	111.8	A121 Y122 R127 Y128 V129	A121-F125 VanDerWaalsContact O-CB 3.24Å; A121-F125 WeakPolarHBondContact O-CB 3.35Å; A121-F125 PolarHBondContact O-N 3.4Å; Y122-F125 PolarHBondContact O-N 3.33Å; F125-R127 VanDerWaalsContact C-N 3.26Å; F125-R127 PolarHBondContact O-N 2.91Å; F125-Y128 HydrophobicContact CE2-CD1 4.46Å; F125-Y128 WeakPolarHBondContact O-CB 3.39Å; F125-Y128 PolarHBondContact O-N 3.49Å; F125-V129 HydrophobicContact CD1-CG2 4.22Å; F125-V129 HydrophobicContact CE1-CG2 3.78Å; F125-V129 HydrophobicContact CZ-CG2 3.95Å; F125-V129 WeakPolarHBondContact O-CG2 3.47Å; F125-V129 PolarHBondContact O-N 2.97Å
126	K	78.2	Confident	82.3	Confident	96 Å²	96	59.9 Å²	59.9	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-29.7	172.7	-82.2	-173.8	170.2	172.8	0	113.4	Y122 D123 D124 R130	Y122-K126 HydrophobicContact CD1-CD 4.45Å; Y122-K126 HydrophobicContact CE1-CD 3.89Å; Y122-K126 VanDerWaalsContact CE1-NZ 3.26Å; Y122-K126 PolarHBondContact O-N 3.09Å; Y122-K126 WeakPolarHBondContact OH-CE 3.07Å; Y122-K126 PolarHBondContact OH-NZ 3.08Å; D123-K126 PolarHBondContact O-N 3Å; D124-K126 VanDerWaalsContact C-N 3.35Å; D124-K126 PolarHBondContact O-N 2.66Å; K126-R130 WeakPolarHBondContact O-CG 3.46Å; K126-R130 PolarHBondContact O-NE 2.7Å; K126-R130 VanDerWaalsContact O-NE 3.12Å
127	R	76.9	Confident	82.9	Confident	42 Å²	42	64.1 Å²	64.1	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-45	172	-67.8	168.7	-171.7	-138.7	-1.9	110.4	Q61 D123 D124 F125 V129 R130 D131	Q61-R127 HydrophobicContact CG-CB 4.45Å; D123-R127 WeakPolarHBondContact O-CG 3.26Å; D123-R127 PolarHBondContact O-N 2.74Å; D124-R127 WeakPolarHBondContact O-CB 3.48Å; D124-R127 PolarHBondContact O-N 2.84Å; D124-R127 VanDerWaalsContact O-N 3.1Å; F125-R127 VanDerWaalsContact C-N 3.26Å; F125-R127 PolarHBondContact O-N 2.91Å; R127-V129 PolarHBondContact O-N 2.65Å; R127-R130 VanDerWaalsContact CG-NH2 3.32Å; R127-R130 PolarHBondContact O-N 3.42Å; R127-D131 PolarHBondContact O-N 2.88Å
128	Y	83.4	Confident	83.3	Confident	104 Å²	104	67.3 Å²	67.3	41%	0.408	33%	0.328	S	S	.	.	H	α-helix	trans	-56.2	-46.3	176.8	175.5	-105.4	0	0	0	113.5	D124 F125 R130 D131 K132	D124-Y128 PolarHBondContact O-N 3.24Å; F125-Y128 HydrophobicContact CE2-CD1 4.46Å; F125-Y128 WeakPolarHBondContact O-CB 3.39Å; F125-Y128 PolarHBondContact O-N 3.49Å; Y128-R130 VanDerWaalsContact C-N 3.27Å; Y128-R130 PolarHBondContact O-N 2.89Å; Y128-D131 PolarHBondContact O-N 3.32Å; Y128-K132 HydrophobicContact CE1-CD 4.37Å; Y128-K132 WeakPolarHBondContact O-CB 3.09Å; Y128-K132 PolarHBondContact O-N 3.5Å
129	V	85.5	Confident	83.6	Confident	70 Å²	70	64.3 Å²	64.3	42%	0.424	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-40.2	179.8	174	0	0	0	0	111.3	F125 R127 K132 E133	F125-V129 HydrophobicContact CD1-CG2 4.22Å; F125-V129 HydrophobicContact CE1-CG2 3.78Å; F125-V129 HydrophobicContact CZ-CG2 3.95Å; F125-V129 WeakPolarHBondContact O-CG2 3.47Å; F125-V129 PolarHBondContact O-N 2.97Å; R127-V129 PolarHBondContact O-N 2.65Å; V129-K132 WeakPolarHBondContact O-CB 3.49Å; V129-K132 PolarHBondContact O-N 3.1Å; V129-E133 PolarHBondContact O-N 2.99Å; V129-E133 VanDerWaalsContact O-N 3.11Å
130	R	75.6	Confident	84.4	Confident	61 Å²	61	64.2 Å²	64.2	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-44.3	177.3	-70.3	-178.3	-77.3	163.5	-8.3	112.5	K126 R127 Y128 K132 E133 L134 L790	K126-R130 WeakPolarHBondContact O-CG 3.46Å; K126-R130 PolarHBondContact O-NE 2.7Å; K126-R130 VanDerWaalsContact O-NE 3.12Å; R127-R130 VanDerWaalsContact CG-NH2 3.32Å; R127-R130 PolarHBondContact O-N 3.42Å; Y128-R130 VanDerWaalsContact C-N 3.27Å; Y128-R130 PolarHBondContact O-N 2.89Å; R130-K132 PolarHBondContact O-N 2.84Å; R130-E133 WeakPolarHBondContact O-CB 3.3Å; R130-E133 PolarHBondContact O-N 2.93Å; R130-L134 PolarHBondContact O-N 2.8Å; R130-L134 VanDerWaalsContact O-N 3.08Å; R130-L790 PolarHBondContact NH1-O 2.85Å
131	D	82.5	Confident	85.1	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.032	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-38.6	176.2	-69.4	-13.9	0	0	0	110.1	N60 Q61 R127 Y128 E133 L134 N135	N60-D131 WeakPolarHBondContact CB-OD1 3.46Å; N60-D131 PolarHBondContact N-OD2 3.18Å; N60-D131 PolarHBondContact ND2-OD1 2.8Å; Q61-D131 PolarHBondContact N-OD2 3.11Å; R127-D131 PolarHBondContact O-N 2.88Å; Y128-D131 PolarHBondContact O-N 3.32Å; D131-E133 PolarHBondContact O-N 3.49Å; D131-L134 PolarHBondContact O-N 3.42Å; D131-N135 WeakPolarHBondContact O-CB 3.38Å; D131-N135 PolarHBondContact O-N 3.44Å; D131-N135 PolarHBondContact O-ND2 3.24Å
132	K	87.2	Confident	85.3	Confident	126 Å²	126	62.9 Å²	62.9	55%	0.548	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-41.6	175.5	-174.3	178	179	-178.6	0	112.2	Y128 V129 R130 S136	Y128-K132 HydrophobicContact CE1-CD 4.37Å; Y128-K132 WeakPolarHBondContact O-CB 3.09Å; Y128-K132 PolarHBondContact O-N 3.5Å; V129-K132 WeakPolarHBondContact O-CB 3.49Å; V129-K132 PolarHBondContact O-N 3.1Å; R130-K132 PolarHBondContact O-N 2.84Å; K132-S136 WeakPolarHBondContact O-CB 3.47Å; K132-S136 PolarHBondContact O-N 3.32Å; K132-S136 PolarHBondContact O-OG 2.83Å; K132-S136 VanDerWaalsContact O-OG 3.05Å
133	E	86.4	Confident	85.5	Confident	129 Å²	129	58.7 Å²	58.7	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-52.9	176.6	-171.2	177.7	-175	0	0	111.1	V129 R130 D131 N135 S136 M137	V129-E133 PolarHBondContact O-N 2.99Å; V129-E133 VanDerWaalsContact O-N 3.11Å; R130-E133 WeakPolarHBondContact O-CB 3.3Å; R130-E133 PolarHBondContact O-N 2.93Å; D131-E133 PolarHBondContact O-N 3.49Å; E133-N135 PolarHBondContact O-N 2.96Å; E133-S136 WeakPolarHBondContact CA-OG 3.32Å; E133-S136 PolarHBondContact O-N 3.43Å; E133-S136 PolarHBondContact O-OG 2.99Å; E133-M137 PolarHBondContact O-N 2.96Å
134	L	80.8	Confident	85.9	Confident	53 Å²	53	61.8 Å²	61.8	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-43.6	177.8	-70.2	174.1	0	0	0	112.6	V58 R130 D131 S136 M137	V58-L134 HydrophobicContact CG1-CD1 4.48Å; R130-L134 PolarHBondContact O-N 2.8Å; R130-L134 VanDerWaalsContact O-N 3.08Å; D131-L134 PolarHBondContact O-N 3.42Å; L134-S136 PolarHBondContact O-N 3.36Å; L134-M137 WeakPolarHBondContact O-CG 3.41Å; L134-M137 PolarHBondContact O-N 2.84Å
135	N	88.6	Confident	86	Confident	16 Å²	16	66.1 Å²	66.1	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-22.2	178.7	-73.2	-37.6	0	0	0	112.6	L57 V58 D131 E133 S153	L57-N135 HydrophobicContact CD1-CB 4.43Å; V58-N135 PolarHBondContact N-OD1 3.12Å; V58-N135 PolarHBondContact O-ND2 2.82Å; D131-N135 WeakPolarHBondContact O-CB 3.38Å; D131-N135 PolarHBondContact O-N 3.44Å; D131-N135 PolarHBondContact O-ND2 3.24Å; E133-N135 PolarHBondContact O-N 2.96Å; N135-S153 PolarHBondContact O-N 2.9Å; N135-S153 VanDerWaalsContact O-N 3.16Å; N135-S153 PolarHBondContact O-OG 2.79Å
136	S	90.7	Very high	86.1	Confident	56 Å²	56	61.2 Å²	61.2	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-91.4	-6.6	-178.6	68.8	0	0	0	0	115.1	K132 E133 L134	K132-S136 WeakPolarHBondContact O-CB 3.47Å; K132-S136 PolarHBondContact O-N 3.32Å; K132-S136 PolarHBondContact O-OG 2.83Å; K132-S136 VanDerWaalsContact O-OG 3.05Å; E133-S136 WeakPolarHBondContact CA-OG 3.32Å; E133-S136 PolarHBondContact O-N 3.43Å; E133-S136 PolarHBondContact O-OG 2.99Å; L134-S136 PolarHBondContact O-N 3.36Å
137	M	89.4	Confident	86.5	Confident	98 Å²	98	60.2 Å²	60.2	48%	0.483	33%	0.331	S	S	.	.			trans	-52.4	139.1	174	-71.2	-78.7	-156.2	0	0	111	E133 L134 Y139 K151 S152	E133-M137 PolarHBondContact O-N 2.96Å; L134-M137 WeakPolarHBondContact O-CG 3.41Å; L134-M137 PolarHBondContact O-N 2.84Å; M137-Y139 HydrophobicContact CB-CE2 3.93Å; M137-K151 CarbonylContact O-C 3.58Å; M137-K151 WeakPolarHBondContact O-CA 3.4Å; M137-S152 PolarHBondContact O-N 3.22Å
138	L	93.6	Very high	87.2	Confident	98 Å²	98	65 Å²	65	51%	0.513	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.4	-176.3	-63.1	175.8	0	0	0	111.5	M149 T150 K151 Q167	L138-M149 HydrophobicContact CB-CE 3.69Å; L138-T150 CarbonylContact C-O 3.48Å; L138-T150 WeakPolarHBondContact CA-O 3.38Å; L138-K151 HydrophobicContact CD2-CG 4.04Å; L138-Q167 PolarHBondContact O-NE2 3.2Å
139	Y	93.9	Very high	87.7	Confident	16 Å²	16	65 Å²	65	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148	179.2	-73.5	-85.6	0	0	0	110.4	M137 M149 T150 I155 I163 Q167 R168 P170	M137-Y139 HydrophobicContact CB-CE2 3.93Å; Y139-M149 CarbonylContact O-C 3.53Å; Y139-M149 WeakPolarHBondContact O-CA 3.23Å; Y139-T150 PolarHBondContact N-O 3.48Å; Y139-T150 PolarHBondContact O-N 3.41Å; Y139-I155 HydrophobicContact CD2-CD1 4.07Å; Y139-I155 HydrophobicContact CG-CD1 4.19Å; Y139-I163 HydrophobicContact CD1-CD1 3.98Å; Y139-I163 HydrophobicContact CE1-CD1 4.3Å; Y139-Q167 VanDerWaalsContact CD1-NE2 3.3Å; Y139-Q167 HydrophobicContact CE1-CG 3.99Å; Y139-R168 WeakPolarHBondContact CE1-O 3.37Å; Y139-R168 VanDerWaalsContact CZ-O 3.3Å; Y139-R168 PolarHBondContact OH-O 3.03Å; Y139-P170 HydrophobicContact CD1-CB 4.42Å; Y139-P170 HydrophobicContact CD1-CG 3.83Å; Y139-P170 HydrophobicContact CD2-CB 4.16Å; Y139-P170 HydrophobicContact CD2-CG 4.29Å; Y139-P170 HydrophobicContact CE1-CB 4Å; Y139-P170 HydrophobicContact CE1-CG 3.71Å; Y139-P170 HydrophobicContact CE2-CB 3.72Å; Y139-P170 HydrophobicContact CE2-CG 4.18Å; Y139-P170 HydrophobicContact CG-CB 4.48Å; Y139-P170 HydrophobicContact CG-CG 4.11Å
140	E	94.8	Very high	88.1	Confident	30 Å²	30	62.8 Å²	62.8	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.4	177.5	-172.6	173.7	-172.6	0	0	109.9	S147 M149 L161 K162 H164	E140-S147 WeakPolarHBondContact OE1-CB 3.34Å; E140-S147 PolarHBondContact OE1-OG 2.92Å; E140-M149 HydrophobicContact CB-SD 4Å; E140-M149 HydrophobicContact CG-SD 4.44Å; E140-L161 WeakPolarHBondContact O-CA 3.46Å; E140-K162 HydrophobicContact CB-CB 4.25Å; E140-K162 HydrophobicContact CG-CB 4.21Å; E140-K162 PolarHBondContact O-N 3.07Å; E140-H164 IonicContact OE2-CD2 3.39Å; E140-H164 IonicContact OE2-CE1 3.17Å; E140-H164 IonicContact OE2-NE2 3.54Å; E140-H164 PolarHBondContact OE2-NE2 3.26Å
141	L	92.7	Very high	89	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.11	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.7	174.3	-178.9	76.2	0	0	0	108.7	T143 S147 K148 T150 D159 V160 L161	L141-T143 HydrophobicContact CD2-CG2 3.89Å; L141-T143 HydrophobicContact CG-CG2 4.02Å; L141-S147 CarbonylContact O-C 3.54Å; L141-S147 WeakPolarHBondContact O-CA 3.48Å; L141-K148 WeakPolarHBondContact CA-O 3.46Å; L141-K148 VanDerWaalsContact CB-O 3.32Å; L141-K148 WeakPolarHBondContact CB-O 3.19Å; L141-K148 PolarHBondContact N-O 3.18Å; L141-K148 PolarHBondContact O-N 3.17Å; L141-T150 HydrophobicContact CB-CG2 3.98Å; L141-D159 HydrophobicContact CD1-CB 3.54Å; L141-V160 WeakPolarHBondContact CD1-O 3.12Å; L141-L161 HydrophobicContact CB-CD2 4.5Å; L141-L161 HydrophobicContact CD1-CD2 3.93Å
142	V	90.7	Very high	89.4	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.042	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.6	173.8	-165	0	0	0	0	108.1	V160 K162 F217	V142-V160 HydrophobicContact CB-CB 4.37Å; V142-V160 HydrophobicContact CB-CG1 4.08Å; V142-V160 HydrophobicContact CG2-CG1 4.38Å; V142-V160 PolarHBondContact N-O 2.88Å; V142-K162 HydrophobicContact CG2-CB 3.84Å; V142-F217 HydrophobicContact CB-CE2 4.46Å; V142-F217 HydrophobicContact CB-CZ 4.31Å; V142-F217 HydrophobicContact CG1-CE2 3.78Å; V142-F217 HydrophobicContact CG1-CZ 4.12Å; V142-F217 WeakPolarHBondContact O-CZ 3.3Å
143	T	86.7	Confident	89.6	Confident	40 Å²	40	61.2 Å²	61.2	25%	0.245	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	163.6	175.7	70.5	0	0	0	0	109.9	L141 A145 G146 L214	L141-T143 HydrophobicContact CD2-CG2 3.89Å; L141-T143 HydrophobicContact CG-CG2 4.02Å; T143-A145 PolarHBondContact O-N 3.22Å; T143-A145 PolarHBondContact OG1-N 3.17Å; T143-G146 PolarHBondContact N-O 2.84Å; T143-G146 PolarHBondContact O-N 2.97Å; T143-G146 PolarHBondContact OG1-O 2.83Å; T143-L214 VanDerWaalsContact O-CD2 3.31Å; T143-L214 WeakPolarHBondContact O-CD2 3.34Å
144	P	82.5	Confident	89.9	Confident	93 Å²	93	58.1 Å²	58.1	60%	0.604	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.6	174.7	-25.4	33.7	0	0	0	113.8	F217	P144-F217 HydrophobicContact CB-CG 4.49Å; P144-F217 HydrophobicContact CG-CB 4.25Å; P144-F217 HydrophobicContact CG-CD1 4.01Å; P144-F217 HydrophobicContact CG-CD2 4.28Å; P144-F217 HydrophobicContact CG-CE1 4.47Å; P144-F217 HydrophobicContact CG-CG 3.91Å
145	A	82.4	Confident	90.4	Very high	102 Å²	102	55.6 Å²	55.6	84%	0.843	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	3.2	178.5	0	0	0	0	0	114	T143	T143-A145 PolarHBondContact O-N 3.22Å; T143-A145 PolarHBondContact OG1-N 3.17Å
146	G	85.3	Confident	90.6	Very high	22 Å²	22	58.8 Å²	58.8	23%	0.227	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-175.6	-175.8	0	0	0	0	0	113.6	T143	T143-G146 PolarHBondContact N-O 2.84Å; T143-G146 PolarHBondContact O-N 2.97Å; T143-G146 PolarHBondContact OG1-O 2.83Å
147	S	87.5	Confident	90.6	Very high	74 Å²	74	56.9 Å²	56.9	52%	0.517	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.4	179.1	71.8	0	0	0	0	112.8	E140 L141	E140-S147 WeakPolarHBondContact OE1-CB 3.34Å; E140-S147 PolarHBondContact OE1-OG 2.92Å; L141-S147 CarbonylContact O-C 3.54Å; L141-S147 WeakPolarHBondContact O-CA 3.48Å
148	K	91.8	Very high	90.6	Very high	143 Å²	143	52.4 Å²	52.4	62%	0.622	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.3	-178.7	179.6	179.1	177.9	178.7	0	110.6	L141 T150	L141-K148 WeakPolarHBondContact CA-O 3.46Å; L141-K148 VanDerWaalsContact CB-O 3.32Å; L141-K148 WeakPolarHBondContact CB-O 3.19Å; L141-K148 PolarHBondContact N-O 3.18Å; L141-K148 PolarHBondContact O-N 3.17Å; K148-T150 PolarHBondContact O-N 2.98Å
149	M	93.9	Very high	90.5	Very high	105 Å²	105	48.7 Å²	48.7	52%	0.517	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127	172.2	-60.5	-57	-67.5	0	0	111.3	L138 Y139 E140	L138-M149 HydrophobicContact CB-CE 3.69Å; Y139-M149 CarbonylContact O-C 3.53Å; Y139-M149 WeakPolarHBondContact O-CA 3.23Å; E140-M149 HydrophobicContact CB-SD 4Å; E140-M149 HydrophobicContact CG-SD 4.44Å
150	T	93.1	Very high	90.4	Very high	23 Å²	23	48.1 Å²	48.1	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	158	175.5	-164.6	0	0	0	0	111.2	L138 Y139 L141 K148 I155	L138-T150 CarbonylContact C-O 3.48Å; L138-T150 WeakPolarHBondContact CA-O 3.38Å; Y139-T150 PolarHBondContact N-O 3.48Å; Y139-T150 PolarHBondContact O-N 3.41Å; L141-T150 HydrophobicContact CB-CG2 3.98Å; K148-T150 PolarHBondContact O-N 2.98Å; T150-I155 HydrophobicContact CG2-CG1 4.02Å
151	K	93.7	Very high	90.4	Very high	113 Å²	113	46.8 Å²	46.8	49%	0.491	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	148.3	174.4	-67.5	178.1	-178.4	175.4	0	110	M137 L138 S153 S154	M137-K151 CarbonylContact O-C 3.58Å; M137-K151 WeakPolarHBondContact O-CA 3.4Å; L138-K151 HydrophobicContact CD2-CG 4.04Å; K151-S153 PolarHBondContact O-N 3.36Å; K151-S153 VanDerWaalsContact O-N 3.17Å; K151-S154 WeakPolarHBondContact O-CB 3.35Å; K151-S154 PolarHBondContact O-N 3.47Å
152	S	92	Very high	90.5	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.063	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-51	-41.5	175.5	-174.3	0	0	0	0	112.7	N56 M137 S154 I155	N56-S152 PolarHBondContact ND2-O 3.16Å; M137-S152 PolarHBondContact O-N 3.22Å; S152-S154 PolarHBondContact O-N 2.88Å; S152-I155 PolarHBondContact O-N 3.47Å
153	S	91.8	Very high	90.7	Very high	38 Å²	38	47.3 Å²	47.3	27%	0.266	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.2	177.7	62	0	0	0	0	115.4	N56 N135 K151	N56-S153 WeakPolarHBondContact O-CA 3.35Å; N135-S153 PolarHBondContact O-N 2.9Å; N135-S153 VanDerWaalsContact O-N 3.16Å; N135-S153 PolarHBondContact O-OG 2.79Å; K151-S153 PolarHBondContact O-N 3.36Å; K151-S153 VanDerWaalsContact O-N 3.17Å
154	S	92	Very high	90.9	Very high	63 Å²	63	49.2 Å²	49.2	44%	0.441	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-95.6	-4.5	-175.6	-64.2	0	0	0	0	113	K151 S152	K151-S154 WeakPolarHBondContact O-CB 3.35Å; K151-S154 PolarHBondContact O-N 3.47Å; S152-S154 PolarHBondContact O-N 2.88Å
155	I	92.2	Very high	91.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.271	C	S	.	.			trans	-69	134.3	176.9	-62.6	171.7	0	0	0	109.8	N56 Y139 T150 S152 L161 P170 V273	N56-I155 HydrophobicContact CB-CB 4.34Å; N56-I155 WeakPolarHBondContact CB-O 3.39Å; Y139-I155 HydrophobicContact CD2-CD1 4.07Å; Y139-I155 HydrophobicContact CG-CD1 4.19Å; T150-I155 HydrophobicContact CG2-CG1 4.02Å; S152-I155 PolarHBondContact O-N 3.47Å; I155-L161 HydrophobicContact CD1-CD1 4.01Å; I155-L161 HydrophobicContact CD1-CD2 4.34Å; I155-L161 HydrophobicContact CG1-CD2 4.38Å; I155-L161 HydrophobicContact CG2-CD1 4.11Å; I155-P170 HydrophobicContact CD1-CB 3.65Å; I155-P170 HydrophobicContact CD1-CG 3.49Å; I155-P170 VanDerWaalsContact CD1-CG 3.49Å; I155-V273 HydrophobicContact CG2-CG1 4.25Å; I155-V273 HydrophobicContact CG2-CG2 3.81Å
156	Q	91.9	Very high	91.3	Very high	83 Å²	83	48.3 Å²	48.3	39%	0.388	26%	0.255	S	S	.	.			trans	-123.4	162.7	-178.9	-62.4	-175.3	-26	0	0	111.5	G158 D159 V273	Q156-G158 PolarHBondContact O-N 2.83Å; Q156-D159 PolarHBondContact N-OD2 2.96Å; Q156-D159 WeakPolarHBondContact O-CB 3.32Å; Q156-D159 PolarHBondContact O-N 2.81Å; Q156-V273 WeakPolarHBondContact O-CB 3.49Å
157	V	91.1	Very high	91.5	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.097	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	132.1	172.2	177	0	0	0	0	108.9	V42 Y53 T276	V42-V157 HydrophobicContact CB-CG1 4.34Å; V42-V157 HydrophobicContact CG1-CG1 3.8Å; V42-V157 HydrophobicContact CG2-CG1 3.54Å; Y53-V157 HydrophobicContact CD1-CG2 4.47Å; Y53-V157 HydrophobicContact CD2-CB 3.75Å; Y53-V157 HydrophobicContact CD2-CG1 4.03Å; Y53-V157 HydrophobicContact CD2-CG2 3.92Å; Y53-V157 HydrophobicContact CE2-CB 4.27Å; Y53-V157 HydrophobicContact CE2-CG1 4.05Å; Y53-V157 HydrophobicContact CG-CB 4.17Å; Y53-V157 HydrophobicContact CG-CG2 3.8Å; V157-T276 HydrophobicContact CG2-CG2 3.95Å
158	G	89.4	Confident	91.6	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-9.8	-175.6	0	0	0	0	0	115	V42 Q156 V273	V42-G158 VanDerWaalsContact CG1-CA 3.48Å; Q156-G158 PolarHBondContact O-N 2.83Å; G158-V273 PolarHBondContact N-O 3.05Å
159	D	91.2	Very high	91.7	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.112	21%	0.207	C	C	.	.			trans	-66.9	141.1	172.5	-77.9	-15.6	0	0	0	110.8	L141 Q156 A272 V273	L141-D159 HydrophobicContact CD1-CB 3.54Å; Q156-D159 PolarHBondContact N-OD2 2.96Å; Q156-D159 WeakPolarHBondContact O-CB 3.32Å; Q156-D159 PolarHBondContact O-N 2.81Å; D159-A272 WeakPolarHBondContact O-CA 3.43Å; D159-V273 HydrophobicContact CB-CG2 4.45Å; D159-V273 PolarHBondContact O-N 2.94Å
160	V	92.6	Very high	91.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.6	174.4	-177.4	0	0	0	0	108.8	I44 L141 V142 F217 V270 C271	I44-V160 HydrophobicContact CG2-CG2 3.48Å; I44-V160 VanDerWaalsContact CG2-CG2 3.48Å; L141-V160 WeakPolarHBondContact CD1-O 3.12Å; V142-V160 HydrophobicContact CB-CB 4.37Å; V142-V160 HydrophobicContact CB-CG1 4.08Å; V142-V160 HydrophobicContact CG2-CG1 4.38Å; V142-V160 PolarHBondContact N-O 2.88Å; V160-F217 HydrophobicContact CB-CE1 4.36Å; V160-F217 HydrophobicContact CB-CZ 4.09Å; V160-F217 HydrophobicContact CG1-CZ 4.47Å; V160-F217 HydrophobicContact CG2-CE1 3.84Å; V160-F217 HydrophobicContact CG2-CZ 4.05Å; V160-V270 HydrophobicContact CG1-CG1 3.47Å; V160-V270 VanDerWaalsContact CG1-CG1 3.47Å; V160-C271 CarbonylContact C-O 3.25Å; V160-C271 WeakPolarHBondContact CA-O 3.4Å
161	L	94.1	Very high	91.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.3	-176.8	-59.3	175.3	0	0	0	110.3	E140 L141 I155 I163 P170 V270 C271 V273	E140-L161 WeakPolarHBondContact O-CA 3.46Å; L141-L161 HydrophobicContact CB-CD2 4.5Å; L141-L161 HydrophobicContact CD1-CD2 3.93Å; I155-L161 HydrophobicContact CD1-CD1 4.01Å; I155-L161 HydrophobicContact CD1-CD2 4.34Å; I155-L161 HydrophobicContact CG1-CD2 4.38Å; I155-L161 HydrophobicContact CG2-CD1 4.11Å; L161-I163 HydrophobicContact CB-CD1 4.09Å; L161-P170 HydrophobicContact CD1-CG 3.71Å; L161-V270 CarbonylContact O-C 3.52Å; L161-V270 VanDerWaalsContact O-CA 3.32Å; L161-V270 WeakPolarHBondContact O-CA 3.48Å; L161-C271 PolarHBondContact N-O 3.44Å; L161-C271 PolarHBondContact O-N 2.89Å; L161-V273 HydrophobicContact CD1-CG2 3.5Å; L161-V273 HydrophobicContact CG-CG2 3.95Å
162	K	94.1	Very high	91.7	Very high	39 Å²	39	30 Å²	30	17%	0.17	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.3	165.5	-174.9	171.4	-173.4	158.6	0	108.7	E140 V142 E213 V270	E140-K162 HydrophobicContact CB-CB 4.25Å; E140-K162 HydrophobicContact CG-CB 4.21Å; E140-K162 PolarHBondContact O-N 3.07Å; V142-K162 HydrophobicContact CG2-CB 3.84Å; K162-E213 WeakPolarHBondContact CD-OE2 3.48Å; K162-E213 WeakPolarHBondContact CE-OE1 3.46Å; K162-E213 IonicContact NZ-OE1 2.65Å; K162-E213 PolarHBondContact NZ-OE1 3.25Å; K162-E213 IonicContact NZ-OE2 2.81Å; K162-E213 PolarHBondContact NZ-OE2 3.37Å; K162-V270 HydrophobicContact CG-CG2 4.41Å
163	I	94.5	Very high	91.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.5	-178.8	-52.8	-59.9	0	0	0	108.1	Y139 L161 Q167 I169 L264 S268 A269	Y139-I163 HydrophobicContact CD1-CD1 3.98Å; Y139-I163 HydrophobicContact CE1-CD1 4.3Å; L161-I163 HydrophobicContact CB-CD1 4.09Å; I163-Q167 HydrophobicContact CG2-CB 4.02Å; I163-I169 HydrophobicContact CG2-CG1 4.33Å; I163-L264 HydrophobicContact CB-CD2 4.38Å; I163-L264 HydrophobicContact CG2-CB 4.03Å; I163-L264 HydrophobicContact CG2-CD2 4.11Å; I163-L264 VanDerWaalsContact O-CD2 3.3Å; I163-L264 WeakPolarHBondContact O-CD2 3.47Å; I163-S268 CarbonylContact O-C 3.56Å; I163-S268 VanDerWaalsContact O-CA 3.31Å; I163-S268 WeakPolarHBondContact O-CA 3.44Å; I163-A269 PolarHBondContact N-O 3.4Å; I163-A269 PolarHBondContact O-N 3.46Å
164	H	92.3	Very high	92	Very high	79 Å²	79	27.8 Å²	27.8	37%	0.366	14%	0.139	S	C	.	.			trans	-95.3	166.3	179.8	-65.2	-79.5	0	0	0	112	E140 D166 Q167	E140-H164 IonicContact OE2-CD2 3.39Å; E140-H164 IonicContact OE2-CE1 3.17Å; E140-H164 IonicContact OE2-NE2 3.54Å; E140-H164 PolarHBondContact OE2-NE2 3.26Å; H164-D166 PolarHBondContact O-N 2.87Å; H164-Q167 WeakPolarHBondContact O-CB 3.32Å; H164-Q167 PolarHBondContact O-N 2.85Å; H164-Q167 VanDerWaalsContact O-N 3.11Å
165	K	87.7	Confident	92.1	Very high	83 Å²	83	24.8 Å²	24.8	36%	0.361	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	139.1	173.8	-177.2	-175.8	170.8	-171.5	0	110.7	Q167 G267 D460	K165-Q167 PolarHBondContact O-N 3.49Å; K165-Q167 VanDerWaalsContact O-N 3.08Å; K165-G267 PolarHBondContact N-O 3.36Å; K165-G267 VanDerWaalsContact N-O 3.16Å; K165-D460 IonicContact NZ-OD1 2.72Å
166	D	85.5	Confident	92.1	Very high	93 Å²	93	24.8 Å²	24.8	50%	0.497	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	9.9	-178.5	-66.6	-55.9	0	0	0	115.6	H164 R188 L264	H164-D166 PolarHBondContact O-N 2.87Å; D166-R188 IonicContact OD1-CZ 3.97Å; D166-R188 IonicContact OD1-NH1 3.56Å; D166-R188 IonicContact OD1-NH2 3.53Å; D166-R188 PolarHBondContact OD1-NH2 2.84Å; D166-L264 WeakPolarHBondContact CA-O 3.48Å; D166-L264 PolarHBondContact N-O 3.08Å
167	Q	89.6	Confident	92.1	Very high	40 Å²	40	22 Å²	22	19%	0.187	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-88.8	136.6	174.9	-162	176.6	15	0	0	111.3	L138 Y139 I163 H164 K165 L264	L138-Q167 PolarHBondContact O-NE2 3.2Å; Y139-Q167 VanDerWaalsContact CD1-NE2 3.3Å; Y139-Q167 HydrophobicContact CE1-CG 3.99Å; I163-Q167 HydrophobicContact CG2-CB 4.02Å; H164-Q167 WeakPolarHBondContact O-CB 3.32Å; H164-Q167 PolarHBondContact O-N 2.85Å; H164-Q167 VanDerWaalsContact O-N 3.11Å; K165-Q167 PolarHBondContact O-N 3.49Å; K165-Q167 VanDerWaalsContact O-N 3.08Å; Q167-L264 PolarHBondContact O-N 3.4Å
168	R	89.2	Confident	92.1	Very high	48 Å²	48	21.4 Å²	21.4	18%	0.181	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-80.7	135	178.6	-171.1	173.8	-72.5	-102.2	-8.4	110.8	Y139 D261 V263 E784 H787	Y139-R168 WeakPolarHBondContact CE1-O 3.37Å; Y139-R168 VanDerWaalsContact CZ-O 3.3Å; Y139-R168 PolarHBondContact OH-O 3.03Å; R168-D261 PolarHBondContact NH1-O 2.97Å; R168-V263 HydrophobicContact CB-CG2 4.32Å; R168-V263 HydrophobicContact CG-CG2 4.34Å; R168-E784 PolarHBondContact NH2-O 3.37Å; R168-H787 PolarHBondContact NH1-CD2 3.44Å; R168-H787 PolarHBondContact NH1-NE2 3.04Å
169	I	93.2	Very high	92	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-74.7	125.2	-177.3	-68.6	150.6	0	0	0	110.4	I163 A171 V187 L258 W259 R260 D261 T262	I163-I169 HydrophobicContact CG2-CG1 4.33Å; I169-A171 WeakPolarHBondContact CG2-O 3.29Å; I169-V187 HydrophobicContact CD1-CG1 4.23Å; I169-L258 HydrophobicContact CD1-CB 3.8Å; I169-L258 HydrophobicContact CD1-CD1 4.12Å; I169-L258 HydrophobicContact CD1-CD2 4.26Å; I169-L258 HydrophobicContact CD1-CG 4.29Å; I169-L258 HydrophobicContact CG2-CB 4.33Å; I169-W259 WeakPolarHBondContact CG2-O 3.31Å; I169-R260 WeakPolarHBondContact O-CA 3.48Å; I169-D261 PolarHBondContact O-N 2.82Å; I169-T262 WeakPolarHBondContact CD1-OG1 3.39Å; I169-T262 PolarHBondContact N-O 2.8Å
170	P	92.7	Very high	91.5	Very high	5 Å²	5	27 Å²	27	3%	0.032	14%	0.137	C	C	.	.			trans	-82.6	-19.8	-169.6	29.7	-33.3	0	0	0	114.9	N56 Y139 I155 L161 R260	N56-P170 PolarHBondContact ND2-O 2.95Å; Y139-P170 HydrophobicContact CD1-CB 4.42Å; Y139-P170 HydrophobicContact CD1-CG 3.83Å; Y139-P170 HydrophobicContact CD2-CB 4.16Å; Y139-P170 HydrophobicContact CD2-CG 4.29Å; Y139-P170 HydrophobicContact CE1-CB 4Å; Y139-P170 HydrophobicContact CE1-CG 3.71Å; Y139-P170 HydrophobicContact CE2-CB 3.72Å; Y139-P170 HydrophobicContact CE2-CG 4.18Å; Y139-P170 HydrophobicContact CG-CB 4.48Å; Y139-P170 HydrophobicContact CG-CG 4.11Å; I155-P170 HydrophobicContact CD1-CB 3.65Å; I155-P170 HydrophobicContact CD1-CG 3.49Å; I155-P170 VanDerWaalsContact CD1-CG 3.49Å; L161-P170 HydrophobicContact CD1-CG 3.71Å; P170-R260 WeakPolarHBondContact O-CD 3.46Å
171	A	94.3	Very high	90.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.176	C	C	.	.	S	Bend	trans	-156.3	163.3	-172.4	0	0	0	0	0	109	I169 A173 V273 Y275 T276	I169-A171 WeakPolarHBondContact CG2-O 3.29Å; A171-A173 PolarHBondContact O-N 2.91Å; A171-V273 HydrophobicContact CB-CG1 3.76Å; A171-V273 HydrophobicContact CB-CG2 4.45Å; A171-Y275 WeakPolarHBondContact CB-O 3.41Å; A171-T276 HydrophobicContact CB-CG2 4.37Å
172	D	95.2	Very high	90.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.4	176.9	-60.8	-16.5	0	0	0	108.7	L258 W259 R260 V274 Y275 T280 R281	D172-L258 CarbonylContact C-O 3.58Å; D172-L258 WeakPolarHBondContact CA-O 3.1Å; D172-W259 HydrophobicContact CB-CE3 4.1Å; D172-W259 HydrophobicContact CB-CZ3 4.42Å; D172-R260 WeakPolarHBondContact OD1-CB 3.04Å; D172-R260 PolarHBondContact OD1-N 2.98Å; D172-V274 HydrophobicContact CB-CG2 4.47Å; D172-V274 WeakPolarHBondContact O-CG2 3.36Å; D172-V274 PolarHBondContact O-N 2.9Å; D172-Y275 HydrophobicContact CB-CD2 3.75Å; D172-Y275 HydrophobicContact CB-CG 4.34Å; D172-Y275 PolarHBondContact N-O 2.9Å; D172-Y275 VanDerWaalsContact N-O 3.08Å; D172-Y275 PolarHBondContact O-N 2.96Å; D172-T280 VanDerWaalsContact OD2-CA 3.24Å; D172-T280 WeakPolarHBondContact OD2-CA 3.38Å; D172-R281 PolarHBondContact OD2-N 2.94Å
173	A	95.2	Very high	89.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.7	-170.3	0	0	0	0	0	112.6	A171 I257 L258 C271 A272 V273	A171-A173 PolarHBondContact O-N 2.91Å; A173-I257 WeakPolarHBondContact O-CG1 3.42Å; A173-L258 PolarHBondContact N-O 3.39Å; A173-L258 WeakPolarHBondContact O-CB 3.23Å; A173-L258 PolarHBondContact O-N 2.89Å; A173-C271 HydrophobicContact CB-CB 3.72Å; A173-C271 VanDerWaalsContact CB-SG 3.56Å; A173-A272 CarbonylContact C-O 3.58Å; A173-A272 WeakPolarHBondContact CA-O 3.19Å; A173-A272 WeakPolarHBondContact CB-O 3.42Å; A173-V273 HydrophobicContact CB-CG2 4.44Å
174	V	94.9	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132	175.1	174.4	0	0	0	0	109.4	L176 I223 F235 L252 N256 C271 A272 V274	V174-L176 HydrophobicContact CG1-CD2 4.41Å; V174-L176 PolarHBondContact O-N 3.47Å; V174-I223 HydrophobicContact CB-CD1 4.18Å; V174-I223 HydrophobicContact CG1-CD1 4.48Å; V174-I223 HydrophobicContact CG2-CD1 4.42Å; V174-I223 HydrophobicContact CG2-CG2 4.22Å; V174-F235 HydrophobicContact CG2-CE1 4.46Å; V174-F235 HydrophobicContact CG2-CZ 4.31Å; V174-L252 HydrophobicContact CG1-CD1 3.83Å; V174-L252 HydrophobicContact CG1-CD2 4.16Å; V174-L252 HydrophobicContact CG2-CD1 4.23Å; V174-N256 WeakPolarHBondContact CA-O 3.42Å; V174-C271 CarbonylContact O-C 3.47Å; V174-C271 WeakPolarHBondContact O-CA 3.48Å; V174-C271 WeakPolarHBondContact O-CB 3.39Å; V174-A272 PolarHBondContact N-O 3.3Å; V174-A272 PolarHBondContact O-N 2.88Å; V174-V274 HydrophobicContact CG2-CG1 3.9Å; V174-V274 HydrophobicContact CG2-CG2 4.27Å
175	L	94.4	Very high	88.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.1	179.2	-176.6	63.4	0	0	0	110.5	T178 C185 K201 A203 C204 N256 L258 A269	L175-T178 HydrophobicContact CD1-CG2 3.86Å; L175-T178 HydrophobicContact CD2-CG2 3.96Å; L175-T178 HydrophobicContact CG-CG2 4.21Å; L175-C185 VanDerWaalsContact CD2-SG 3.55Å; L175-K201 HydrophobicContact CD2-CB 3.89Å; L175-A203 HydrophobicContact CD2-CB 4.24Å; L175-A203 HydrophobicContact CG-CB 4.02Å; L175-C204 PolarHBondContact O-N 3.48Å; L175-N256 PolarHBondContact N-O 3.01Å; L175-L258 HydrophobicContact CB-CG 4.43Å; L175-L258 HydrophobicContact CD1-CD1 4.18Å; L175-A269 HydrophobicContact CD1-CB 3.67Å
176	L	92	Very high	88.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-46.5	-177.8	-61.4	178.8	0	0	0	112	I44 V174 A207 L216 M221 V270 A272	I44-L176 HydrophobicContact CD1-CD1 3.84Å; I44-L176 HydrophobicContact CD1-CD2 4.31Å; V174-L176 HydrophobicContact CG1-CD2 4.41Å; V174-L176 PolarHBondContact O-N 3.47Å; L176-A207 HydrophobicContact CB-CB 4.1Å; L176-A207 HydrophobicContact CD2-CB 4.38Å; L176-A207 CarbonylContact O-C 3.52Å; L176-A207 WeakPolarHBondContact O-CB 3.43Å; L176-L216 HydrophobicContact CB-CD1 4.45Å; L176-M221 HydrophobicContact CD1-CE 4.49Å; L176-M221 HydrophobicContact CD2-SD 4.4Å; L176-V270 PolarHBondContact N-O 3.2Å; L176-A272 HydrophobicContact CD1-CB 3.86Å; L176-A272 HydrophobicContact CG-CB 4.34Å
177	H	91.6	Very high	88.8	Confident	26 Å²	26	29.8 Å²	29.8	12%	0.12	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.9	-175.3	-174.7	35	0	0	0	110.8	Q208 L216 V270	H177-Q208 VanDerWaalsContact CA-OE1 3.31Å; H177-Q208 PolarHBondContact CE1-NE2 3.14Å; H177-Q208 PolarHBondContact ND1-NE2 3.04Å; H177-Q208 PolarHBondContact ND1-OE1 3.1Å; H177-L216 HydrophobicContact CB-CD1 4.31Å; H177-V270 HydrophobicContact CB-CB 4.21Å; H177-V270 PolarHBondContact N-O 2.68Å; H177-V270 PolarHBondContact O-N 3.46Å
178	T	90.7	Very high	88.5	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158.9	174.1	63.5	0	0	0	0	111.5	L175 D180 G183 A184 C185 A203 Q208 S268	L175-T178 HydrophobicContact CD1-CG2 3.86Å; L175-T178 HydrophobicContact CD2-CG2 3.96Å; L175-T178 HydrophobicContact CG-CG2 4.21Å; T178-D180 PolarHBondContact O-N 2.67Å; T178-D180 PolarHBondContact OG1-O 3.17Å; T178-G183 WeakPolarHBondContact OG1-CA 3.28Å; T178-A184 PolarHBondContact OG1-N 2.97Å; T178-C185 HydrophobicContact CG2-CB 3.81Å; T178-A203 HydrophobicContact CG2-CB 4.28Å; T178-Q208 PolarHBondContact O-NE2 3.49Å; T178-S268 CarbonylContact C-O 3.57Å; T178-S268 WeakPolarHBondContact CA-O 3.47Å
179	S	86.3	Confident	88.1	Confident	74 Å²	74	28.7 Å²	28.7	52%	0.517	15%	0.15	S	C	.	.	S	Bend	trans	-60.4	-24.9	171.6	55.5	0	0	0	0	114.1	G267 S268	S179-G267 WeakPolarHBondContact OG-CA 3.4Å; S179-S268 PolarHBondContact N-O 2.93Å; S179-S268 PolarHBondContact OG-N 3.21Å
180	D	81.6	Confident	87	Confident	67 Å²	67	29.1 Å²	29.1	36%	0.358	15%	0.152	S	C	.	.	S	Bend	trans	-75.9	137.6	173.8	-176.9	25.7	0	0	0	111	T178 V182 G183 A184 Q208	T178-D180 PolarHBondContact O-N 2.67Å; T178-D180 PolarHBondContact OG1-O 3.17Å; D180-V182 PolarHBondContact O-N 3.35Å; D180-G183 PolarHBondContact O-N 3.42Å; D180-A184 WeakPolarHBondContact CB-O 3.36Å; D180-Q208 PolarHBondContact O-NE2 2.89Å
181	K	78.6	Confident	86	Confident	197 Å²	197	29.1 Å²	29.1	86%	0.857	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.7	-178	-68.4	-174.5	179.6	180	0	112.5	G183	K181-G183 VanDerWaalsContact C-N 3.29Å
182	V	78.3	Confident	85.1	Confident	89 Å²	89	29.8 Å²	29.8	54%	0.539	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.9	-179.1	-174.4	0	0	0	0	112.1	D180 L498	D180-V182 PolarHBondContact O-N 3.35Å; V182-L498 HydrophobicContact CG1-CD1 4.21Å; V182-L498 HydrophobicContact CG2-CD1 4.13Å
183	G	83.1	Confident	83.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.			trans	89.2	11.2	-174.2	0	0	0	0	0	114.1	T178 D180 K181 I202 A203	T178-G183 WeakPolarHBondContact OG1-CA 3.28Å; D180-G183 PolarHBondContact O-N 3.42Å; K181-G183 VanDerWaalsContact C-N 3.29Å; G183-I202 CarbonylContact O-C 3.49Å; G183-I202 WeakPolarHBondContact O-CA 3.32Å; G183-A203 WeakPolarHBondContact O-CB 3.31Å; G183-A203 PolarHBondContact O-N 2.89Å
184	A	83.5	Confident	82.3	Confident	25 Å²	25	30.5 Å²	30.5	21%	0.207	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.7	-177.3	0	0	0	0	0	112.3	T178 D180 L200 K201	T178-A184 PolarHBondContact OG1-N 2.97Å; D180-A184 WeakPolarHBondContact CB-O 3.36Å; A184-L200 HydrophobicContact CB-CD1 3.75Å; A184-K201 WeakPolarHBondContact CA-O 3.41Å
185	C	86.7	Confident	81.1	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.9	165.5	71.8	0	0	0	0	111.5	L175 T178 K201 L264	L175-C185 VanDerWaalsContact CD2-SG 3.55Å; T178-C185 HydrophobicContact CG2-CB 3.81Å; C185-K201 PolarHBondContact N-O 3.02Å; C185-K201 PolarHBondContact O-N 3.29Å; C185-L264 HydrophobicContact CB-CD1 4.01Å
186	F	85.7	Confident	79.7	Confident	44 Å²	44	34.1 Å²	34.1	19%	0.193	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.5	178.2	-68.3	-81.1	0	0	0	111.4	W198 L200 A265 A266	F186-W198 HydrophobicContact CB-CB 4.3Å; F186-W198 HydrophobicContact CB-CE3 3.82Å; F186-W198 HydrophobicContact CD1-CB 4.18Å; F186-W198 HydrophobicContact CG-CE3 4.19Å; F186-L200 HydrophobicContact CD1-CB 4.35Å; F186-L200 HydrophobicContact CD1-CD1 4.29Å; F186-L200 HydrophobicContact CE1-CB 4.04Å; F186-L200 HydrophobicContact CE1-CD1 3.81Å; F186-L200 HydrophobicContact CE2-CD1 4.35Å; F186-L200 HydrophobicContact CZ-CD1 3.85Å; F186-A265 HydrophobicContact CB-CB 4.14Å; F186-A265 WeakPolarHBondContact O-CB 3.33Å; F186-A265 PolarHBondContact O-N 3.2Å; F186-A266 HydrophobicContact CD2-CB 4.46Å
187	V	88.6	Confident	78.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.7	-178.3	-171.4	0	0	0	0	110	I169 K199 K201 L258 T262 V263 L264	I169-V187 HydrophobicContact CD1-CG1 4.23Å; V187-K199 PolarHBondContact N-O 3.34Å; V187-K199 PolarHBondContact O-N 3.45Å; V187-K201 HydrophobicContact CB-CG 4.4Å; V187-K201 HydrophobicContact CG2-CB 4.39Å; V187-K201 HydrophobicContact CG2-CG 3.63Å; V187-L258 HydrophobicContact CG2-CD2 3.58Å; V187-T262 VanDerWaalsContact CG1-CB 3.47Å; V187-T262 HydrophobicContact CG1-CG2 4.42Å; V187-T262 WeakPolarHBondContact CG1-OG1 3.45Å; V187-V263 WeakPolarHBondContact CA-O 3.43Å; V187-L264 HydrophobicContact CG2-CD1 4.36Å
188	R	82.2	Confident	77.9	Confident	61 Å²	61	38.2 Å²	38.2	23%	0.23	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.7	170.3	-69.1	-177.3	-70.2	-159.1	-9.7	110.4	D166 W198 T262 V263 A265	D166-R188 IonicContact OD1-CZ 3.97Å; D166-R188 IonicContact OD1-NH1 3.56Å; D166-R188 IonicContact OD1-NH2 3.53Å; D166-R188 PolarHBondContact OD1-NH2 2.84Å; R188-W198 HydrophobicContact CG-CG 4.46Å; R188-T262 WeakPolarHBondContact O-CA 2.99Å; R188-T262 VanDerWaalsContact O-CB 3.31Å; R188-T262 WeakPolarHBondContact O-CB 3.21Å; R188-V263 HydrophobicContact CB-CB 4.39Å; R188-V263 PolarHBondContact N-O 2.83Å; R188-V263 PolarHBondContact O-N 3.49Å; R188-A265 HydrophobicContact CG-CB 4.29Å
189	T	80.5	Confident	77.4	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.025	20%	0.204	C	C	.	.			trans	-116.6	6.8	178	66.3	0	0	0	0	114.1	Q191 L192 D193 K199 T262	T189-Q191 PolarHBondContact O-N 2.77Å; T189-L192 WeakPolarHBondContact O-CA 3.17Å; T189-L192 WeakPolarHBondContact O-CB 3.3Å; T189-L192 PolarHBondContact O-N 3.18Å; T189-D193 PolarHBondContact O-N 3.48Å; T189-D193 PolarHBondContact OG1-OD1 3.43Å; T189-D193 VanDerWaalsContact OG1-OD1 3.05Å; T189-D193 PolarHBondContact OG1-OD2 2.95Å; T189-K199 HydrophobicContact CG2-CD 3.83Å; T189-K199 HydrophobicContact CG2-CG 4.23Å; T189-K199 WeakPolarHBondContact OG1-CE 3.3Å; T189-T262 HydrophobicContact CG2-CG2 3.87Å
190	D	71.4	Confident	77.3	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-35.3	-45.9	169.8	50.1	9.2	0	0	0	114	L192 G194 E195 E784	D190-L192 PolarHBondContact O-N 3.14Å; D190-G194 WeakPolarHBondContact O-CA 3.44Å; D190-G194 PolarHBondContact O-N 3.03Å; D190-E195 VanDerWaalsContact CA-O 3.28Å; D190-E195 WeakPolarHBondContact CA-O 3.43Å; D190-E195 PolarHBondContact N-O 3.07Å; D190-E784 VanDerWaalsContact CB-OE2 3.23Å; D190-E784 WeakPolarHBondContact CB-OE2 3.38Å; D190-E784 VanDerWaalsContact OD2-CG 3.22Å; D190-E784 WeakPolarHBondContact OD2-CG 3.4Å
191	Q	72.4	Confident	77.5	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-77.6	-16.5	-178.8	-63.9	-64.7	-50.1	0	0	114.4	T189 G765 N766 E784	T189-Q191 PolarHBondContact O-N 2.77Å; Q191-G765 CarbonylContact O-C 3.6Å; Q191-G765 VanDerWaalsContact O-C 3.23Å; Q191-G765 WeakPolarHBondContact O-CA 3.41Å; Q191-G765 PolarHBondContact O-N 3.42Å; Q191-N766 PolarHBondContact O-N 2.98Å; Q191-E784 PolarHBondContact NE2-OE2 3.05Å
192	L	74.6	Confident	78	Confident	15 Å²	15	31.8 Å²	31.8	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-97.9	-42.8	-177.4	-152.5	92.3	0	0	0	111.9	T189 D190 I232 W259 T262 A282 N766	T189-L192 WeakPolarHBondContact O-CA 3.17Å; T189-L192 WeakPolarHBondContact O-CB 3.3Å; T189-L192 PolarHBondContact O-N 3.18Å; D190-L192 PolarHBondContact O-N 3.14Å; L192-I232 HydrophobicContact CD2-CB 3.94Å; L192-I232 HydrophobicContact CD2-CD1 4.03Å; L192-I232 HydrophobicContact CD2-CG2 3.63Å; L192-I232 HydrophobicContact CG-CG2 4.43Å; L192-W259 HydrophobicContact CD2-CB 4.2Å; L192-W259 HydrophobicContact CD2-CG 4.2Å; L192-T262 HydrophobicContact CB-CG2 4.48Å; L192-A282 HydrophobicContact CD1-CB 3.98Å; L192-N766 WeakPolarHBondContact O-CB 3.45Å
193	D	69.6	Low	78.6	Confident	14 Å²	14	27.6 Å²	27.6	8%	0.075	14%	0.136	C	C	.	.	H	α-helix	trans	-126.8	-12.8	-176.8	52.9	25.7	0	0	0	115.1	T189 E195 K199 I232	T189-D193 PolarHBondContact O-N 3.48Å; T189-D193 PolarHBondContact OG1-OD1 3.43Å; T189-D193 VanDerWaalsContact OG1-OD1 3.05Å; T189-D193 PolarHBondContact OG1-OD2 2.95Å; D193-E195 VanDerWaalsContact C-N 3.31Å; D193-E195 WeakPolarHBondContact OD1-CB 3.43Å; D193-E195 PolarHBondContact OD1-N 2.99Å; D193-K199 IonicContact OD2-NZ 3.84Å; D193-K199 PolarHBondContact OD2-NZ 2.83Å; D193-I232 HydrophobicContact CB-CD1 3.76Å
194	G	61.5	Low	78.8	Confident	2 Å²	2	27.7 Å²	27.7	2%	0.021	14%	0.136	C	C	.	.			trans	83.1	5.5	-177.5	0	0	0	0	0	114.1	D190 T393 N766	D190-G194 WeakPolarHBondContact O-CA 3.44Å; D190-G194 PolarHBondContact O-N 3.03Å; G194-T393 PolarHBondContact O-OG1 3.07Å; G194-T393 VanDerWaalsContact O-OG1 3.07Å; G194-N766 WeakPolarHBondContact CA-ND2 3.46Å; G194-N766 PolarHBondContact N-ND2 3.28Å
195	E	68.9	Low	78.8	Confident	62 Å²	62	29.5 Å²	29.5	29%	0.29	15%	0.146	S	C	.	.			trans	-75.9	132.4	173.7	-65.3	-173.7	166.5	0	0	109.9	D190 D193 D197 K199	D190-E195 VanDerWaalsContact CA-O 3.28Å; D190-E195 WeakPolarHBondContact CA-O 3.43Å; D190-E195 PolarHBondContact N-O 3.07Å; D193-E195 VanDerWaalsContact C-N 3.31Å; D193-E195 WeakPolarHBondContact OD1-CB 3.43Å; D193-E195 PolarHBondContact OD1-N 2.99Å; E195-D197 VanDerWaalsContact C-N 3.35Å; E195-K199 WeakPolarHBondContact OE2-CE 3.27Å; E195-K199 IonicContact OE2-NZ 3.67Å; E195-K199 PolarHBondContact OE2-NZ 3.2Å
196	T	65.4	Low	78.7	Confident	13 Å²	13	30.6 Å²	30.6	8%	0.08	15%	0.151	C	C	.	.			trans	-84.1	-17.6	178.9	57.7	0	0	0	0	112.4	T393 N399	T196-T393 HydrophobicContact CG2-CG2 3.42Å; T196-T393 VanDerWaalsContact CG2-CG2 3.42Å; T196-N399 WeakPolarHBondContact CB-OD1 3.49Å; T196-N399 WeakPolarHBondContact CG2-OD1 3.46Å
197	D	69.7	Low	78.6	Confident	54 Å²	54	28.5 Å²	28.5	29%	0.289	14%	0.142	S	C	.	.	S	Bend	trans	-70.6	132.5	-179.1	-71.2	-19.2	0	0	0	110	E195 K199 S475 S476 P477	E195-D197 VanDerWaalsContact C-N 3.35Å; D197-K199 PolarHBondContact O-N 3.01Å; D197-S475 CarbonylContact C-O 3.46Å; D197-S475 WeakPolarHBondContact CA-O 3.11Å; D197-S475 WeakPolarHBondContact CB-O 3.45Å; D197-S476 WeakPolarHBondContact OD1-CA 3.49Å; D197-S476 WeakPolarHBondContact OD1-CB 3.44Å; D197-S476 PolarHBondContact OD1-OG 3.24Å; D197-S476 VanDerWaalsContact OD1-OG 3.13Å; D197-P477 WeakPolarHBondContact OD1-CD 3.43Å
198	W	76.8	Confident	78.5	Confident	59 Å²	59	29.5 Å²	29.5	22%	0.223	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-73.6	131.2	173.6	-61.8	3.7	0	0	0	109.3	F186 R188 A265 Q473 S475	F186-W198 HydrophobicContact CB-CB 4.3Å; F186-W198 HydrophobicContact CB-CE3 3.82Å; F186-W198 HydrophobicContact CD1-CB 4.18Å; F186-W198 HydrophobicContact CG-CE3 4.19Å; R188-W198 HydrophobicContact CG-CG 4.46Å; W198-A265 HydrophobicContact CD2-CB 3.99Å; W198-A265 HydrophobicContact CE3-CB 3.78Å; W198-A265 HydrophobicContact CH2-CB 4.04Å; W198-A265 HydrophobicContact CZ2-CB 4.27Å; W198-A265 HydrophobicContact CZ3-CB 3.76Å; W198-Q473 HydrophobicContact CH2-CB 3.85Å; W198-Q473 HydrophobicContact CH2-CG 3.66Å; W198-Q473 HydrophobicContact CZ3-CB 3.54Å; W198-Q473 HydrophobicContact CZ3-CG 3.79Å; W198-S475 PolarHBondContact N-O 3.37Å
199	K	80.5	Confident	78.5	Confident	48 Å²	48	34.3 Å²	34.3	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122	179.6	-62.1	-168.3	-179.5	179.7	0	109.4	V187 T189 D193 E195 D197	V187-K199 PolarHBondContact N-O 3.34Å; V187-K199 PolarHBondContact O-N 3.45Å; T189-K199 HydrophobicContact CG2-CD 3.83Å; T189-K199 HydrophobicContact CG2-CG 4.23Å; T189-K199 WeakPolarHBondContact OG1-CE 3.3Å; D193-K199 IonicContact OD2-NZ 3.84Å; D193-K199 PolarHBondContact OD2-NZ 2.83Å; E195-K199 WeakPolarHBondContact OE2-CE 3.27Å; E195-K199 IonicContact OE2-NZ 3.67Å; E195-K199 PolarHBondContact OE2-NZ 3.2Å; D197-K199 PolarHBondContact O-N 3.01Å
200	L	82.9	Confident	78.5	Confident	77 Å²	77	35.1 Å²	35.1	40%	0.403	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.5	169	-178.4	66.3	0	0	0	108.8	A184 F186 I202	A184-L200 HydrophobicContact CB-CD1 3.75Å; F186-L200 HydrophobicContact CD1-CB 4.35Å; F186-L200 HydrophobicContact CD1-CD1 4.29Å; F186-L200 HydrophobicContact CE1-CB 4.04Å; F186-L200 HydrophobicContact CE1-CD1 3.81Å; F186-L200 HydrophobicContact CE2-CD1 4.35Å; F186-L200 HydrophobicContact CZ-CD1 3.85Å; L200-I202 HydrophobicContact CD2-CD1 4.37Å; L200-I202 HydrophobicContact CD2-CG1 4.42Å; L200-I202 HydrophobicContact CG-CG1 4.28Å
201	K	87.9	Confident	78.6	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.5	171.4	-62.4	-65.6	-177	170.4	0	108.4	L175 A184 C185 V187 V254 D255 I257 L258	L175-K201 HydrophobicContact CD2-CB 3.89Å; A184-K201 WeakPolarHBondContact CA-O 3.41Å; C185-K201 PolarHBondContact N-O 3.02Å; C185-K201 PolarHBondContact O-N 3.29Å; V187-K201 HydrophobicContact CB-CG 4.4Å; V187-K201 HydrophobicContact CG2-CB 4.39Å; V187-K201 HydrophobicContact CG2-CG 3.63Å; K201-V254 PolarHBondContact NZ-O 3.08Å; K201-D255 CarbonylContact C-O 3.56Å; K201-D255 VanDerWaalsContact CA-O 3.27Å; K201-D255 WeakPolarHBondContact CA-O 3.47Å; K201-D255 WeakPolarHBondContact CB-O 3.49Å; K201-D255 VanDerWaalsContact CD-O 3.26Å; K201-D255 WeakPolarHBondContact CD-O 3.34Å; K201-I257 VanDerWaalsContact CE-O 3.24Å; K201-I257 WeakPolarHBondContact CE-O 3.17Å; K201-I257 PolarHBondContact NZ-O 3.26Å; K201-L258 HydrophobicContact CB-CD2 4.34Å; K201-L258 HydrophobicContact CG-CD2 3.98Å
202	I	88.4	Confident	78.9	Confident	72 Å²	72	48.5 Å²	48.5	37%	0.369	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.4	-175	-57.2	175.2	0	0	0	107.8	G183 L200 D255 N256	G183-I202 CarbonylContact O-C 3.49Å; G183-I202 WeakPolarHBondContact O-CA 3.32Å; L200-I202 HydrophobicContact CD2-CD1 4.37Å; L200-I202 HydrophobicContact CD2-CG1 4.42Å; L200-I202 HydrophobicContact CG-CG1 4.28Å; I202-D255 PolarHBondContact N-O 2.63Å; I202-N256 PolarHBondContact O-ND2 3.31Å
203	A	91	Very high	79.1	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.017	25%	0.246	C	C	.	.			trans	-62.9	152.1	173.4	0	0	0	0	0	110.6	L175 T178 G183 P205 Q208	L175-A203 HydrophobicContact CD2-CB 4.24Å; L175-A203 HydrophobicContact CG-CB 4.02Å; T178-A203 HydrophobicContact CG2-CB 4.28Å; G183-A203 WeakPolarHBondContact O-CB 3.31Å; G183-A203 PolarHBondContact O-N 2.89Å; A203-P205 VanDerWaalsContact O-CD 3.3Å; A203-P205 WeakPolarHBondContact O-CD 3.43Å; A203-Q208 HydrophobicContact CB-CB 4.35Å
204	C	86.5	Confident	79.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	26%	0.261	C	S	.	.			trans	-61.2	121.7	175.7	-163.7	0	0	0	0	109.9	L175 L206 A207 Q208 L239 E250 L252	L175-C204 PolarHBondContact O-N 3.48Å; C204-L206 PolarHBondContact O-N 2.99Å; C204-L206 VanDerWaalsContact O-N 3.11Å; C204-A207 HydrophobicContact CB-CB 4.28Å; C204-A207 PolarHBondContact O-N 2.81Å; C204-Q208 WeakPolarHBondContact O-CB 3.49Å; C204-Q208 PolarHBondContact O-N 3.46Å; C204-L239 HydrophobicContact CB-CD2 4.09Å; C204-L239 WeakPolarHBondContact SG-CD2 3.21Å; C204-E250 PolarHBondContact SG-OE2 3.13Å; C204-L252 HydrophobicContact CB-CD2 4.46Å
205	P	84.8	Confident	80.4	Confident	64 Å²	64	53.7 Å²	53.7	42%	0.416	27%	0.273	S	S	.	.	H	α-helix	trans	-49.2	-38.3	179.6	-31	35.1	0	0	0	114	A203 Q208 Q209 E250	A203-P205 VanDerWaalsContact O-CD 3.3Å; A203-P205 WeakPolarHBondContact O-CD 3.43Å; P205-Q208 PolarHBondContact O-N 3.39Å; P205-Q209 WeakPolarHBondContact O-CG 3.28Å; P205-E250 WeakPolarHBondContact CD-OE1 3.26Å; P205-E250 VanDerWaalsContact CG-OE1 3.23Å; P205-E250 WeakPolarHBondContact CG-OE1 3.44Å
206	L	83.8	Confident	81	Confident	25 Å²	25	50.9 Å²	50.9	13%	0.131	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-44.3	175.5	-93.2	155.9	0	0	0	113.8	C204 Q248 E250	C204-L206 PolarHBondContact O-N 2.99Å; C204-L206 VanDerWaalsContact O-N 3.11Å; L206-Q248 HydrophobicContact CD1-CB 4.25Å; L206-Q248 HydrophobicContact CD2-CB 4.39Å; L206-E250 HydrophobicContact CD1-CB 3.82Å; L206-E250 WeakPolarHBondContact CD1-OE2 3.16Å; L206-E250 PolarHBondContact N-OE2 3.49Å
207	A	84.1	Confident	81.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-84.4	-19.1	-178	0	0	0	0	0	113.1	L176 C204 V210 L216 M221	L176-A207 HydrophobicContact CB-CB 4.1Å; L176-A207 HydrophobicContact CD2-CB 4.38Å; L176-A207 CarbonylContact O-C 3.52Å; L176-A207 WeakPolarHBondContact O-CB 3.43Å; C204-A207 HydrophobicContact CB-CB 4.28Å; C204-A207 PolarHBondContact O-N 2.81Å; A207-V210 WeakPolarHBondContact O-CG2 3.4Å; A207-L216 HydrophobicContact CB-CD2 3.9Å; A207-M221 HydrophobicContact CB-SD 4.4Å
208	Q	87	Confident	82.3	Confident	23 Å²	23	55.4 Å²	55.4	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-77.4	-21.1	-179.7	-174.5	60.4	29.1	0	0	113.5	H177 T178 D180 A203 C204 P205 V210	H177-Q208 VanDerWaalsContact CA-OE1 3.31Å; H177-Q208 PolarHBondContact CE1-NE2 3.14Å; H177-Q208 PolarHBondContact ND1-NE2 3.04Å; H177-Q208 PolarHBondContact ND1-OE1 3.1Å; T178-Q208 PolarHBondContact O-NE2 3.49Å; D180-Q208 PolarHBondContact O-NE2 2.89Å; A203-Q208 HydrophobicContact CB-CB 4.35Å; C204-Q208 WeakPolarHBondContact O-CB 3.49Å; C204-Q208 PolarHBondContact O-N 3.46Å; P205-Q208 PolarHBondContact O-N 3.39Å; Q208-V210 PolarHBondContact O-N 2.96Å
209	Q	81.4	Confident	82.2	Confident	161 Å²	161	54 Å²	54	75%	0.752	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.3	-178.2	-73.6	177.1	21.4	0	0	114.1	P205	P205-Q209 WeakPolarHBondContact O-CG 3.28Å
210	V	80.2	Confident	82.3	Confident	22 Å²	22	57 Å²	57	13%	0.133	30%	0.297	C	S	.	.			trans	-80.2	133.5	-174	-164.2	0	0	0	0	110.5	A207 Q208 N212 A215 L216 M219	A207-V210 WeakPolarHBondContact O-CG2 3.4Å; Q208-V210 PolarHBondContact O-N 2.96Å; V210-N212 VanDerWaalsContact C-N 3.31Å; V210-N212 WeakPolarHBondContact CG1-O 3.47Å; V210-N212 PolarHBondContact O-N 3.42Å; V210-A215 HydrophobicContact CG1-CB 3.24Å; V210-L216 HydrophobicContact CG2-CD2 4.02Å; V210-M219 HydrophobicContact CG2-CE 3.1Å; V210-M219 HydrophobicContact CG2-SD 4.41Å
211	E	73.7	Confident	82.4	Confident	201 Å²	201	53.7 Å²	53.7	94%	0.939	28%	0.279	S	S	*	.	S	Bend	trans	-70.5	-26.1	179.6	-67.1	-173.1	164.6	0	0	113.6
212	N	78.1	Confident	82.5	Confident	94 Å²	94	56.2 Å²	56.2	50%	0.503	29%	0.291	S	S	.	.	S	Bend	trans	-142.5	143	-175.3	-157.9	-9	0	0	0	111.8	V210 L214 A215	V210-N212 VanDerWaalsContact C-N 3.31Å; V210-N212 WeakPolarHBondContact CG1-O 3.47Å; V210-N212 PolarHBondContact O-N 3.42Å; N212-L214 PolarHBondContact O-N 3.46Å; N212-L214 VanDerWaalsContact O-N 3.08Å; N212-A215 PolarHBondContact O-N 3.33Å
213	E	78.3	Confident	82.6	Confident	35 Å²	35	52.8 Å²	52.8	16%	0.164	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.5	-174.9	-57.7	174.4	170.4	0	0	112.9	K162 L216 V270	K162-E213 WeakPolarHBondContact CD-OE2 3.48Å; K162-E213 WeakPolarHBondContact CE-OE1 3.46Å; K162-E213 IonicContact NZ-OE1 2.65Å; K162-E213 PolarHBondContact NZ-OE1 3.25Å; K162-E213 IonicContact NZ-OE2 2.81Å; K162-E213 PolarHBondContact NZ-OE2 3.37Å; E213-L216 WeakPolarHBondContact O-CB 3.17Å; E213-L216 WeakPolarHBondContact O-CG 3.49Å; E213-L216 PolarHBondContact O-N 3.01Å; E213-V270 HydrophobicContact CG-CG2 3.89Å
214	L	78.9	Confident	82.7	Confident	73 Å²	73	56.4 Å²	56.4	38%	0.382	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-72	-30	177.7	-70.5	166.3	0	0	0	113.1	T143 N212 L216 F217	T143-L214 VanDerWaalsContact O-CD2 3.31Å; T143-L214 WeakPolarHBondContact O-CD2 3.34Å; N212-L214 PolarHBondContact O-N 3.46Å; N212-L214 VanDerWaalsContact O-N 3.08Å; L214-L216 PolarHBondContact O-N 3.03Å; L214-F217 WeakPolarHBondContact O-CD2 3.43Å; L214-F217 PolarHBondContact O-N 2.84Å; L214-F217 VanDerWaalsContact O-N 3.1Å
215	A	80.5	Confident	82.9	Confident	33 Å²	33	56.3 Å²	56.3	27%	0.273	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-74.4	-7.3	179.7	0	0	0	0	0	112.5	V210 N212 F217 D218	V210-A215 HydrophobicContact CG1-CB 3.24Å; N212-A215 PolarHBondContact O-N 3.33Å; A215-F217 PolarHBondContact O-N 3.36Å; A215-D218 PolarHBondContact O-N 2.93Å
216	L	81.6	Confident	83.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28	165.5	-68.5	170.9	0	0	0	112.1	L176 H177 A207 V210 E213 L214 D218 M219 M221 V270	L176-L216 HydrophobicContact CB-CD1 4.45Å; H177-L216 HydrophobicContact CB-CD1 4.31Å; A207-L216 HydrophobicContact CB-CD2 3.9Å; V210-L216 HydrophobicContact CG2-CD2 4.02Å; E213-L216 WeakPolarHBondContact O-CB 3.17Å; E213-L216 WeakPolarHBondContact O-CG 3.49Å; E213-L216 PolarHBondContact O-N 3.01Å; L214-L216 PolarHBondContact O-N 3.03Å; L216-D218 VanDerWaalsContact C-N 3.32Å; L216-M219 HydrophobicContact CD2-CE 4.12Å; L216-M221 HydrophobicContact CB-CE 3.79Å; L216-M221 HydrophobicContact CD2-CE 3.85Å; L216-M221 HydrophobicContact CG-CE 4.42Å; L216-M221 WeakPolarHBondContact O-CE 3.44Å; L216-V270 HydrophobicContact CD1-CG1 3.89Å
217	F	81.9	Confident	83.6	Confident	33 Å²	33	59.3 Å²	59.3	15%	0.145	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-79.5	-16.1	178.9	-61.4	-71.3	0	0	0	113.4	I44 A45 V142 P144 V160 L214 A215	I44-F217 HydrophobicContact CG2-CD1 4.49Å; I44-F217 HydrophobicContact CG2-CE1 4.34Å; A45-F217 HydrophobicContact CB-CD1 3.59Å; A45-F217 HydrophobicContact CB-CE1 3.77Å; V142-F217 HydrophobicContact CB-CE2 4.46Å; V142-F217 HydrophobicContact CB-CZ 4.31Å; V142-F217 HydrophobicContact CG1-CE2 3.78Å; V142-F217 HydrophobicContact CG1-CZ 4.12Å; V142-F217 WeakPolarHBondContact O-CZ 3.3Å; P144-F217 HydrophobicContact CB-CG 4.49Å; P144-F217 HydrophobicContact CG-CB 4.25Å; P144-F217 HydrophobicContact CG-CD1 4.01Å; P144-F217 HydrophobicContact CG-CD2 4.28Å; P144-F217 HydrophobicContact CG-CE1 4.47Å; P144-F217 HydrophobicContact CG-CG 3.91Å; V160-F217 HydrophobicContact CB-CE1 4.36Å; V160-F217 HydrophobicContact CB-CZ 4.09Å; V160-F217 HydrophobicContact CG1-CZ 4.47Å; V160-F217 HydrophobicContact CG2-CE1 3.84Å; V160-F217 HydrophobicContact CG2-CZ 4.05Å; L214-F217 WeakPolarHBondContact O-CD2 3.43Å; L214-F217 PolarHBondContact O-N 2.84Å; L214-F217 VanDerWaalsContact O-N 3.1Å; A215-F217 PolarHBondContact O-N 3.36Å
218	D	80.1	Confident	83.9	Confident	130 Å²	130	59.6 Å²	59.6	70%	0.695	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-29.3	178	-63.1	-33.3	0	0	0	111.6	A215 L216 N220	A215-D218 PolarHBondContact O-N 2.93Å; L216-D218 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact O-N 2.77Å
219	M	74.9	Confident	83.9	Confident	28 Å²	28	61.3 Å²	61.3	14%	0.138	30%	0.304	C	S	.	.	S	Bend	trans	-78.4	106.4	169.1	-67.5	-170.6	-71.5	0	0	108.3	V210 L216 M221	V210-M219 HydrophobicContact CG2-CE 3.1Å; V210-M219 HydrophobicContact CG2-SD 4.41Å; L216-M219 HydrophobicContact CD2-CE 4.12Å; M219-M221 VanDerWaalsContact C-N 3.28Å; M219-M221 HydrophobicContact CB-CG 4.14Å; M219-M221 WeakPolarHBondContact O-CG 3.39Å; M219-M221 PolarHBondContact O-N 2.68Å
220	N	81.7	Confident	83.8	Confident	113 Å²	113	59.2 Å²	59.2	60%	0.604	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	89.9	176.8	-75	-56	0	0	0	110	D218 T242	D218-N220 PolarHBondContact O-N 2.77Å; N220-T242 PolarHBondContact O-N 2.79Å
221	M	86.3	Confident	83.8	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.3	-173.6	-77.2	-170.5	-83.6	0	0	111.8	I44 L176 A207 L216 M219 L239 K240 T241	I44-M221 HydrophobicContact CB-CB 4.16Å; I44-M221 HydrophobicContact CD1-CB 3.45Å; I44-M221 VanDerWaalsContact CD1-CB 3.45Å; I44-M221 HydrophobicContact CD1-CE 3.82Å; I44-M221 HydrophobicContact CD1-CG 4.23Å; I44-M221 HydrophobicContact CD1-SD 3.81Å; I44-M221 HydrophobicContact CG1-CB 3.77Å; I44-M221 PolarHBondContact N-O 3.42Å; L176-M221 HydrophobicContact CD1-CE 4.49Å; L176-M221 HydrophobicContact CD2-SD 4.4Å; A207-M221 HydrophobicContact CB-SD 4.4Å; L216-M221 HydrophobicContact CB-CE 3.79Å; L216-M221 HydrophobicContact CD2-CE 3.85Å; L216-M221 HydrophobicContact CG-CE 4.42Å; L216-M221 WeakPolarHBondContact O-CE 3.44Å; M219-M221 VanDerWaalsContact C-N 3.28Å; M219-M221 HydrophobicContact CB-CG 4.14Å; M219-M221 WeakPolarHBondContact O-CG 3.39Å; M219-M221 PolarHBondContact O-N 2.68Å; M221-L239 HydrophobicContact CB-CD1 4.23Å; M221-L239 HydrophobicContact CG-CD1 4.29Å; M221-L239 HydrophobicContact SD-CD1 4.14Å; M221-L239 HydrophobicContact SD-CD2 4.3Å; M221-K240 CarbonylContact C-O 3.56Å; M221-K240 WeakPolarHBondContact CA-O 3.34Å; M221-T241 HydrophobicContact CG-CG2 3.65Å; M221-T241 HydrophobicContact SD-CG2 4.41Å
222	E	89.8	Confident	84.2	Confident	63 Å²	63	52.8 Å²	52.8	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.2	172.2	-171.2	-177	-162.2	0	0	109.7	R41 K240	R41-E222 HydrophobicContact CB-CG 4.48Å; R41-E222 WeakPolarHBondContact CB-OE1 3.32Å; R41-E222 VanDerWaalsContact CD-OE1 3.32Å; R41-E222 WeakPolarHBondContact CD-OE1 3.5Å; E222-K240 HydrophobicContact CB-CB 4.48Å; E222-K240 PolarHBondContact N-O 3.49Å; E222-K240 PolarHBondContact O-N 2.71Å
223	I	90.6	Very high	84.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.3	177.3	-62	168.3	0	0	0	108.9	R41 V42 I44 V174 L239 L252 A272 V274	R41-I223 CarbonylContact C-O 3.45Å; R41-I223 WeakPolarHBondContact CA-O 3.33Å; V42-I223 HydrophobicContact CB-CB 4.47Å; V42-I223 PolarHBondContact N-O 2.87Å; V42-I223 PolarHBondContact O-N 3.36Å; I44-I223 HydrophobicContact CD1-CD1 4.01Å; I44-I223 HydrophobicContact CD1-CG1 4.45Å; I44-I223 HydrophobicContact CG1-CD1 4.28Å; V174-I223 HydrophobicContact CB-CD1 4.18Å; V174-I223 HydrophobicContact CG1-CD1 4.48Å; V174-I223 HydrophobicContact CG2-CD1 4.42Å; V174-I223 HydrophobicContact CG2-CG2 4.22Å; I223-L239 HydrophobicContact CD1-CD1 4.4Å; I223-L239 HydrophobicContact CG1-CD1 3.57Å; I223-L252 HydrophobicContact CG2-CD1 4.14Å; I223-A272 HydrophobicContact CD1-CB 3.72Å; I223-V274 HydrophobicContact CG2-CG1 3.98Å
224	F	91.7	Very high	84.6	Confident	77 Å²	77	54 Å²	54	34%	0.338	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.2	162	177.8	-100.4	0	0	0	109.3	R41 G237 T238	R41-F224 HydrophobicContact CG-CB 4.46Å; R41-F224 HydrophobicContact CG-CD2 3.8Å; F224-G237 CarbonylContact O-C 3.58Å; F224-G237 WeakPolarHBondContact O-CA 3.45Å; F224-T238 PolarHBondContact N-O 2.95Å; F224-T238 PolarHBondContact O-N 2.91Å
225	A	91.4	Very high	85.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.1	173.4	0	0	0	0	0	110.1	R40 F235 V274	R40-A225 HydrophobicContact CG-CB 3.95Å; R40-A225 PolarHBondContact N-O 2.71Å; R40-A225 PolarHBondContact O-N 3.04Å; A225-F235 HydrophobicContact CB-CE2 4.32Å; A225-F235 HydrophobicContact CB-CZ 4.31Å; A225-V274 HydrophobicContact CB-CG1 4.45Å
226	E	92.1	Very high	85.6	Confident	27 Å²	27	55.6 Å²	55.6	13%	0.126	27%	0.267	C	S	.	.			trans	-58.4	-179	174.8	62.5	172.1	-177.1	0	0	113.6	Q229 F235 F236 Y275 R281	E226-Q229 PolarHBondContact OE1-NE2 2.88Å; E226-Q229 PolarHBondContact OE2-NE2 2.75Å; E226-F235 HydrophobicContact CG-CD2 4.46Å; E226-F236 PolarHBondContact N-O 2.86Å; E226-Y275 PolarHBondContact O-OH 2.95Å; E226-R281 IonicContact OE1-NH2 2.65Å; E226-R281 PolarHBondContact OE1-NH2 3.47Å
227	K	91.2	Very high	86	Confident	125 Å²	125	55.8 Å²	55.8	54%	0.543	27%	0.27	S	S	.	.			trans	-72.4	147	172.2	64.6	-176.6	179.3	-177.5	0	110.5	Q229	K227-Q229 PolarHBondContact O-N 3.06Å
228	P	89.7	Confident	86.4	Confident	6 Å²	6	56 Å²	56	4%	0.039	27%	0.273	C	S	.	.			trans	-52.8	128.5	168.1	-19.5	25	0	0	0	111.3	M37 Y275 E279 L284	M37-P228 HydrophobicContact CB-CG 4.38Å; M37-P228 HydrophobicContact SD-CB 3.88Å; M37-P228 HydrophobicContact SD-CG 4.45Å; P228-Y275 HydrophobicContact CB-CD1 4.39Å; P228-Y275 HydrophobicContact CB-CE1 4.29Å; P228-Y275 HydrophobicContact CG-CD1 3.78Å; P228-Y275 HydrophobicContact CG-CE1 3.65Å; P228-E279 HydrophobicContact CB-CB 4.4Å; P228-E279 HydrophobicContact CG-CB 4.1Å; P228-E279 HydrophobicContact CG-CG 4.15Å; P228-L284 HydrophobicContact CB-CD1 3.97Å
229	Q	87.6	Confident	86.9	Confident	59 Å²	59	49.8 Å²	49.8	28%	0.276	24%	0.24	S	C	.	.			trans	-136.2	171.6	176.5	56.4	173.3	-18.7	0	0	109	E226 K227 R281 L284	E226-Q229 PolarHBondContact OE1-NE2 2.88Å; E226-Q229 PolarHBondContact OE2-NE2 2.75Å; K227-Q229 PolarHBondContact O-N 3.06Å; Q229-R281 WeakPolarHBondContact O-CD 3.43Å; Q229-R281 PolarHBondContact O-NE 3.26Å; Q229-R281 PolarHBondContact O-NH1 3.4Å; Q229-L284 WeakPolarHBondContact O-CD1 3.45Å
230	K	80.2	Confident	87.6	Confident	117 Å²	117	51.3 Å²	51.3	51%	0.509	25%	0.246	S	C	.	.	S	Bend	trans	-86.4	-24.8	-176.8	-69.5	-174.9	173.5	-169.5	0	114.1	I232 L284 N285	K230-I232 PolarHBondContact O-N 3.33Å; K230-L284 HydrophobicContact CG-CB 4.3Å; K230-N285 PolarHBondContact O-ND2 2.93Å
231	N	79.7	Confident	87.7	Confident	71 Å²	71	46 Å²	46	38%	0.38	22%	0.218	S	C	.	.			trans	-68.7	127.5	-174.4	-166.3	-14.1	0	0	0	111.1	H233 R281	N231-H233 PolarHBondContact OD1-N 3.18Å; N231-R281 PolarHBondContact O-NE 3.3Å
232	I	82	Confident	87.4	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.082	23%	0.234	C	C	.	.	S	Bend	trans	-93.1	-17.3	-177.5	60.3	171.6	0	0	0	113	L192 D193 K230 W259 R281	L192-I232 HydrophobicContact CD2-CB 3.94Å; L192-I232 HydrophobicContact CD2-CD1 4.03Å; L192-I232 HydrophobicContact CD2-CG2 3.63Å; L192-I232 HydrophobicContact CG-CG2 4.43Å; D193-I232 HydrophobicContact CB-CD1 3.76Å; K230-I232 PolarHBondContact O-N 3.33Å; I232-W259 PolarHBondContact O-NE1 2.79Å; I232-R281 HydrophobicContact CG2-CB 4.26Å
233	H	81.1	Confident	86.6	Confident	110 Å²	110	48.5 Å²	48.5	51%	0.509	24%	0.236	S	C	.	.	S	Bend	trans	-90.8	-5.7	-178	-57	-64.3	0	0	0	112.9	N231	N231-H233 PolarHBondContact OD1-N 3.18Å
234	V	82.9	Confident	85.4	Confident	44 Å²	44	57.7 Å²	57.7	27%	0.267	28%	0.279	S	S	.	.			trans	-128.4	127.6	-175.5	-179.1	0	0	0	0	109.1	F236	V234-F236 HydrophobicContact CG1-CD2 3.78Å; V234-F236 HydrophobicContact CG1-CE2 3.18Å; V234-F236 HydrophobicContact CG1-CZ 3.74Å
235	F	90.1	Very high	84.1	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.018	30%	0.304	C	S	.	.			trans	-144.2	133.7	169.8	177.1	-107.5	0	0	0	108.5	V174 A225 E226 L252 N253 I257 W259 Y275	V174-F235 HydrophobicContact CG2-CE1 4.46Å; V174-F235 HydrophobicContact CG2-CZ 4.31Å; A225-F235 HydrophobicContact CB-CE2 4.32Å; A225-F235 HydrophobicContact CB-CZ 4.31Å; E226-F235 HydrophobicContact CG-CD2 4.46Å; F235-L252 HydrophobicContact CE1-CB 3.94Å; F235-N253 WeakPolarHBondContact CD1-O 3.38Å; F235-I257 HydrophobicContact CB-CG2 4.08Å; F235-I257 HydrophobicContact CD1-CB 4.15Å; F235-I257 HydrophobicContact CD1-CD1 4.12Å; F235-I257 HydrophobicContact CD1-CG2 4.17Å; F235-I257 HydrophobicContact CD2-CD1 3.6Å; F235-I257 HydrophobicContact CE1-CB 4.41Å; F235-I257 HydrophobicContact CE1-CD1 4.02Å; F235-I257 HydrophobicContact CE2-CD1 3.49Å; F235-I257 VanDerWaalsContact CE2-CD1 3.49Å; F235-I257 HydrophobicContact CG-CB 4.4Å; F235-I257 HydrophobicContact CG-CD1 3.91Å; F235-I257 HydrophobicContact CG-CG2 4.09Å; F235-I257 HydrophobicContact CZ-CD1 3.71Å; F235-W259 HydrophobicContact CB-CH2 4.04Å; F235-W259 HydrophobicContact CB-CZ2 4.27Å; F235-W259 HydrophobicContact CD2-CH2 4.15Å; F235-W259 HydrophobicContact CG-CH2 4.34Å; F235-Y275 HydrophobicContact CE2-CE2 4.18Å
236	F	90.5	Very high	83.1	Confident	136 Å²	136	66.3 Å²	66.3	60%	0.596	32%	0.322	S	S	*	.			trans	-123.7	122.2	173.1	-61.2	-72.3	0	0	0	109.2	E226 V234	E226-F236 PolarHBondContact N-O 2.86Å; V234-F236 HydrophobicContact CG1-CD2 3.78Å; V234-F236 HydrophobicContact CG1-CE2 3.18Å; V234-F236 HydrophobicContact CG1-CZ 3.74Å
237	G	90.5	Very high	82.4	Confident	7 Å²	7	71 Å²	71	7%	0.072	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	174.9	173.5	0	0	0	0	0	112.1	F224 L252	F224-G237 CarbonylContact O-C 3.58Å; F224-G237 WeakPolarHBondContact O-CA 3.45Å; G237-L252 PolarHBondContact N-O 3.46Å; G237-L252 PolarHBondContact O-N 2.92Å
238	T	91.2	Very high	82	Confident	37 Å²	37	70 Å²	70	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	128.3	174.8	-48.5	0	0	0	0	108.4	F224 K240 E249 E250	F224-T238 PolarHBondContact N-O 2.95Å; F224-T238 PolarHBondContact O-N 2.91Å; T238-K240 HydrophobicContact CG2-CG 4.41Å; T238-E249 HydrophobicContact CG2-CB 4.24Å; T238-E250 CarbonylContact C-O 3.56Å; T238-E250 VanDerWaalsContact CA-O 3.3Å; T238-E250 WeakPolarHBondContact CA-O 3.31Å; T238-E250 WeakPolarHBondContact CG2-O 3.46Å
239	L	90.3	Very high	81.8	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.6	169	-177.3	70	0	0	0	108	C204 M221 I223 T241 E249 E250 L252	C204-L239 HydrophobicContact CB-CD2 4.09Å; C204-L239 WeakPolarHBondContact SG-CD2 3.21Å; M221-L239 HydrophobicContact CB-CD1 4.23Å; M221-L239 HydrophobicContact CG-CD1 4.29Å; M221-L239 HydrophobicContact SD-CD1 4.14Å; M221-L239 HydrophobicContact SD-CD2 4.3Å; I223-L239 HydrophobicContact CD1-CD1 4.4Å; I223-L239 HydrophobicContact CG1-CD1 3.57Å; L239-T241 HydrophobicContact CD2-CG2 4.33Å; L239-T241 HydrophobicContact CG-CG2 4.4Å; L239-E249 CarbonylContact O-C 3.59Å; L239-E249 WeakPolarHBondContact O-CA 3.2Å; L239-E250 PolarHBondContact N-O 3.42Å; L239-E250 PolarHBondContact O-N 3.16Å; L239-L252 HydrophobicContact CB-CD1 4.18Å; L239-L252 HydrophobicContact CB-CD2 4.27Å; L239-L252 HydrophobicContact CB-CG 4.27Å
240	K	88.9	Confident	81.7	Confident	59 Å²	59	74.6 Å²	74.6	26%	0.257	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.1	171	-54.7	-163.9	178.6	-154.9	0	108.8	M221 E222 T238 Q248 E249	M221-K240 CarbonylContact C-O 3.56Å; M221-K240 WeakPolarHBondContact CA-O 3.34Å; E222-K240 HydrophobicContact CB-CB 4.48Å; E222-K240 PolarHBondContact N-O 3.49Å; E222-K240 PolarHBondContact O-N 2.71Å; T238-K240 HydrophobicContact CG2-CG 4.41Å; K240-Q248 WeakPolarHBondContact CA-O 3.36Å; K240-E249 HydrophobicContact CD-CG 4.16Å; K240-E249 WeakPolarHBondContact CD-OE1 3.31Å; K240-E249 VanDerWaalsContact CE-CD 3.46Å; K240-E249 WeakPolarHBondContact CE-OE1 3.34Å; K240-E249 HydrophobicContact CG-CG 3.96Å; K240-E249 IonicContact NZ-OE1 2.66Å; K240-E249 PolarHBondContact NZ-OE1 3.31Å; K240-E249 IonicContact NZ-OE2 2.66Å
241	T	84.7	Confident	82.1	Confident	1 Å²	1	73 Å²	73	1%	0.006	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.2	171	59.5	0	0	0	0	108.4	M221 L239 Q247 Q248	M221-T241 HydrophobicContact CG-CG2 3.65Å; M221-T241 HydrophobicContact SD-CG2 4.41Å; L239-T241 HydrophobicContact CD2-CG2 4.33Å; L239-T241 HydrophobicContact CG-CG2 4.4Å; T241-Q247 WeakPolarHBondContact O-CA 3.47Å; T241-Q248 PolarHBondContact N-O 3.07Å; T241-Q248 PolarHBondContact O-N 3Å
242	T	80.1	Confident	82.6	Confident	60 Å²	60	69.8 Å²	69.8	37%	0.368	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	99.3	176.3	-48.7	0	0	0	0	108.9	N220 Q247	N220-T242 PolarHBondContact O-N 2.79Å; T242-Q247 HydrophobicContact CG2-CG 4.09Å
243	D	72	Confident	83	Confident	63 Å²	63	72.4 Å²	72.4	34%	0.337	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	174.2	177.2	-68.6	-4.9	0	0	0	110.3	Y245 G246	D243-Y245 PolarHBondContact O-N 3.17Å; D243-G246 PolarHBondContact N-O 3.49Å; D243-G246 PolarHBondContact O-N 3.05Å
244	Q	65.3	Low	83.4	Confident	193 Å²	193	69 Å²	69	90%	0.902	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	178.1	-58.8	-176.1	13.6	0	0	113.2
245	Y	63.9	Low	83.7	Confident	220 Å²	220	70.1 Å²	70.1	86%	0.863	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.2	-177.3	-59.6	-75.8	0	0	0	114.4	D243	D243-Y245 PolarHBondContact O-N 3.17Å
246	G	70.9	Confident	83.8	Confident	38 Å²	38	70.6 Å²	70.6	39%	0.392	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	126.6	180	178.9	0	0	0	0	0	113.7	D243	D243-G246 PolarHBondContact N-O 3.49Å; D243-G246 PolarHBondContact O-N 3.05Å
247	Q	78.3	Confident	84	Confident	124 Å²	124	64.1 Å²	64.1	58%	0.579	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.4	173.4	-83	-174.7	-34.9	0	0	110.5	T241 T242	T241-Q247 WeakPolarHBondContact O-CA 3.47Å; T242-Q247 HydrophobicContact CG2-CG 4.09Å
248	Q	82.1	Confident	84.2	Confident	106 Å²	106	63.8 Å²	63.8	50%	0.495	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.6	167.9	-63.6	-174.1	2.3	0	0	109.1	L206 K240 T241	L206-Q248 HydrophobicContact CD1-CB 4.25Å; L206-Q248 HydrophobicContact CD2-CB 4.39Å; K240-Q248 WeakPolarHBondContact CA-O 3.36Å; T241-Q248 PolarHBondContact N-O 3.07Å; T241-Q248 PolarHBondContact O-N 3Å
249	E	84.7	Confident	84.3	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.5	-179	-55.9	-166.1	174.7	0	0	109.9	T238 L239 K240	T238-E249 HydrophobicContact CG2-CB 4.24Å; L239-E249 CarbonylContact O-C 3.59Å; L239-E249 WeakPolarHBondContact O-CA 3.2Å; K240-E249 HydrophobicContact CD-CG 4.16Å; K240-E249 WeakPolarHBondContact CD-OE1 3.31Å; K240-E249 VanDerWaalsContact CE-CD 3.46Å; K240-E249 WeakPolarHBondContact CE-OE1 3.34Å; K240-E249 HydrophobicContact CG-CG 3.96Å; K240-E249 IonicContact NZ-OE1 2.66Å; K240-E249 PolarHBondContact NZ-OE1 3.31Å; K240-E249 IonicContact NZ-OE2 2.66Å
250	E	86.7	Confident	84.3	Confident	52 Å²	52	63.9 Å²	63.9	24%	0.243	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.6	177.2	-161	162	-167.3	0	0	111	C204 P205 L206 T238 L239	C204-E250 PolarHBondContact SG-OE2 3.13Å; P205-E250 WeakPolarHBondContact CD-OE1 3.26Å; P205-E250 VanDerWaalsContact CG-OE1 3.23Å; P205-E250 WeakPolarHBondContact CG-OE1 3.44Å; L206-E250 HydrophobicContact CD1-CB 3.82Å; L206-E250 WeakPolarHBondContact CD1-OE2 3.16Å; L206-E250 PolarHBondContact N-OE2 3.49Å; T238-E250 CarbonylContact C-O 3.56Å; T238-E250 VanDerWaalsContact CA-O 3.3Å; T238-E250 WeakPolarHBondContact CA-O 3.31Å; T238-E250 WeakPolarHBondContact CG2-O 3.46Å; L239-E250 PolarHBondContact N-O 3.42Å; L239-E250 PolarHBondContact O-N 3.16Å
251	A	88.9	Confident	84	Confident	82 Å²	82	62.5 Å²	62.5	68%	0.678	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.5	178.4	0	0	0	0	0	110
252	L	90.5	Very high	84.2	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.5	174.3	-58.7	171.4	0	0	0	109.6	V174 C204 I223 F235 G237 L239 N256	V174-L252 HydrophobicContact CG1-CD1 3.83Å; V174-L252 HydrophobicContact CG1-CD2 4.16Å; V174-L252 HydrophobicContact CG2-CD1 4.23Å; C204-L252 HydrophobicContact CB-CD2 4.46Å; I223-L252 HydrophobicContact CG2-CD1 4.14Å; F235-L252 HydrophobicContact CE1-CB 3.94Å; G237-L252 PolarHBondContact N-O 3.46Å; G237-L252 PolarHBondContact O-N 2.92Å; L239-L252 HydrophobicContact CB-CD1 4.18Å; L239-L252 HydrophobicContact CB-CD2 4.27Å; L239-L252 HydrophobicContact CB-CG 4.27Å; L252-N256 WeakPolarHBondContact CA-OD1 3.19Å; L252-N256 HydrophobicContact CB-CB 4.47Å; L252-N256 HydrophobicContact CD2-CB 3.92Å
253	N	90.5	Very high	84.6	Confident	71 Å²	71	60 Å²	60	38%	0.38	31%	0.307	S	S	.	.			trans	-122.4	-171.6	177.7	71.6	11.8	0	0	0	111	F235 D255 N256	F235-N253 WeakPolarHBondContact CD1-O 3.38Å; N253-D255 PolarHBondContact ND2-OD2 3.41Å; N253-D255 PolarHBondContact O-N 2.85Å; N253-D255 WeakPolarHBondContact OD1-CA 3.48Å; N253-D255 VanDerWaalsContact OD1-CB 3.28Å; N253-D255 WeakPolarHBondContact OD1-CB 3.37Å; N253-D255 PolarHBondContact OD1-N 2.66Å; N253-N256 PolarHBondContact N-OD1 3.34Å; N253-N256 PolarHBondContact O-N 2.85Å; N253-N256 VanDerWaalsContact O-N 3.13Å; N253-N256 PolarHBondContact OD1-OD1 3.02Å
254	V	89.1	Confident	85.5	Confident	37 Å²	37	57 Å²	57	22%	0.224	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.4	-23.8	-179.9	74.3	0	0	0	0	113.4	K201 N256 I257 W259	K201-V254 PolarHBondContact NZ-O 3.08Å; V254-N256 VanDerWaalsContact C-N 3.27Å; V254-N256 PolarHBondContact O-N 2.97Å; V254-I257 WeakPolarHBondContact O-CG2 3.43Å; V254-W259 HydrophobicContact CG2-CZ2 4.36Å
255	D	88.9	Confident	86.2	Confident	68 Å²	68	48 Å²	48	36%	0.364	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-76.5	-18.4	-179.5	-54	-35.2	0	0	0	111.8	K201 I202 N253	K201-D255 CarbonylContact C-O 3.56Å; K201-D255 VanDerWaalsContact CA-O 3.27Å; K201-D255 WeakPolarHBondContact CA-O 3.47Å; K201-D255 WeakPolarHBondContact CB-O 3.49Å; K201-D255 VanDerWaalsContact CD-O 3.26Å; K201-D255 WeakPolarHBondContact CD-O 3.34Å; I202-D255 PolarHBondContact N-O 2.63Å; N253-D255 PolarHBondContact ND2-OD2 3.41Å; N253-D255 PolarHBondContact O-N 2.85Å; N253-D255 WeakPolarHBondContact OD1-CA 3.48Å; N253-D255 VanDerWaalsContact OD1-CB 3.28Å; N253-D255 WeakPolarHBondContact OD1-CB 3.37Å; N253-D255 PolarHBondContact OD1-N 2.66Å
256	N	92.7	Very high	86.8	Confident	14 Å²	14	38.5 Å²	38.5	8%	0.075	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-95.9	3.4	179.5	-47.7	115.6	0	0	0	113.9	V174 L175 I202 L252 N253 V254	V174-N256 WeakPolarHBondContact CA-O 3.42Å; L175-N256 PolarHBondContact N-O 3.01Å; I202-N256 PolarHBondContact O-ND2 3.31Å; L252-N256 WeakPolarHBondContact CA-OD1 3.19Å; L252-N256 HydrophobicContact CB-CB 4.47Å; L252-N256 HydrophobicContact CD2-CB 3.92Å; N253-N256 PolarHBondContact N-OD1 3.34Å; N253-N256 PolarHBondContact O-N 2.85Å; N253-N256 VanDerWaalsContact O-N 3.13Å; N253-N256 PolarHBondContact OD1-OD1 3.02Å; V254-N256 VanDerWaalsContact C-N 3.27Å; V254-N256 PolarHBondContact O-N 2.97Å
257	I	93.8	Very high	87.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.9	-177.4	-164.5	159.6	0	0	0	112.9	A173 K201 F235 V254 W259 V274	A173-I257 WeakPolarHBondContact O-CG1 3.42Å; K201-I257 VanDerWaalsContact CE-O 3.24Å; K201-I257 WeakPolarHBondContact CE-O 3.17Å; K201-I257 PolarHBondContact NZ-O 3.26Å; F235-I257 HydrophobicContact CB-CG2 4.08Å; F235-I257 HydrophobicContact CD1-CB 4.15Å; F235-I257 HydrophobicContact CD1-CD1 4.12Å; F235-I257 HydrophobicContact CD1-CG2 4.17Å; F235-I257 HydrophobicContact CD2-CD1 3.6Å; F235-I257 HydrophobicContact CE1-CB 4.41Å; F235-I257 HydrophobicContact CE1-CD1 4.02Å; F235-I257 HydrophobicContact CE2-CD1 3.49Å; F235-I257 VanDerWaalsContact CE2-CD1 3.49Å; F235-I257 HydrophobicContact CG-CB 4.4Å; F235-I257 HydrophobicContact CG-CD1 3.91Å; F235-I257 HydrophobicContact CG-CG2 4.09Å; F235-I257 HydrophobicContact CZ-CD1 3.71Å; V254-I257 WeakPolarHBondContact O-CG2 3.43Å; I257-W259 HydrophobicContact CD1-CE3 4.11Å; I257-W259 HydrophobicContact CD1-CH2 3.77Å; I257-W259 HydrophobicContact CD1-CZ3 3.47Å; I257-W259 VanDerWaalsContact CD1-CZ3 3.47Å; I257-W259 HydrophobicContact CG1-CE3 4.16Å; I257-W259 HydrophobicContact CG1-CH2 4.27Å; I257-W259 HydrophobicContact CG1-CZ3 3.98Å; I257-W259 HydrophobicContact CG2-CD2 4.28Å; I257-W259 HydrophobicContact CG2-CE3 4.47Å; I257-W259 HydrophobicContact CG2-CH2 3.72Å; I257-W259 HydrophobicContact CG2-CZ2 3.47Å; I257-W259 VanDerWaalsContact CG2-CZ2 3.47Å; I257-W259 HydrophobicContact CG2-CZ3 4.21Å; I257-V274 HydrophobicContact CD1-CG2 4.16Å
258	L	94.3	Very high	87.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.9	173.3	-61.2	-174.6	0	0	0	109	I169 D172 A173 L175 V187 K201 A269 C271	I169-L258 HydrophobicContact CD1-CB 3.8Å; I169-L258 HydrophobicContact CD1-CD1 4.12Å; I169-L258 HydrophobicContact CD1-CD2 4.26Å; I169-L258 HydrophobicContact CD1-CG 4.29Å; I169-L258 HydrophobicContact CG2-CB 4.33Å; D172-L258 CarbonylContact C-O 3.58Å; D172-L258 WeakPolarHBondContact CA-O 3.1Å; A173-L258 PolarHBondContact N-O 3.39Å; A173-L258 WeakPolarHBondContact O-CB 3.23Å; A173-L258 PolarHBondContact O-N 2.89Å; L175-L258 HydrophobicContact CB-CG 4.43Å; L175-L258 HydrophobicContact CD1-CD1 4.18Å; V187-L258 HydrophobicContact CG2-CD2 3.58Å; K201-L258 HydrophobicContact CB-CD2 4.34Å; K201-L258 HydrophobicContact CG-CD2 3.98Å; L258-A269 HydrophobicContact CD1-CB 4.38Å; L258-C271 HydrophobicContact CD1-CB 4.04Å
259	W	93.1	Very high	88.3	Confident	9 Å²	9	28.5 Å²	28.5	3%	0.034	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-85.7	147.1	179.7	-57.2	125.6	0	0	0	111.2	I169 D172 L192 I232 F235 V254 I257 T262 R281	I169-W259 WeakPolarHBondContact CG2-O 3.31Å; D172-W259 HydrophobicContact CB-CE3 4.1Å; D172-W259 HydrophobicContact CB-CZ3 4.42Å; L192-W259 HydrophobicContact CD2-CB 4.2Å; L192-W259 HydrophobicContact CD2-CG 4.2Å; I232-W259 PolarHBondContact O-NE1 2.79Å; F235-W259 HydrophobicContact CB-CH2 4.04Å; F235-W259 HydrophobicContact CB-CZ2 4.27Å; F235-W259 HydrophobicContact CD2-CH2 4.15Å; F235-W259 HydrophobicContact CG-CH2 4.34Å; V254-W259 HydrophobicContact CG2-CZ2 4.36Å; I257-W259 HydrophobicContact CD1-CE3 4.11Å; I257-W259 HydrophobicContact CD1-CH2 3.77Å; I257-W259 HydrophobicContact CD1-CZ3 3.47Å; I257-W259 VanDerWaalsContact CD1-CZ3 3.47Å; I257-W259 HydrophobicContact CG1-CE3 4.16Å; I257-W259 HydrophobicContact CG1-CH2 4.27Å; I257-W259 HydrophobicContact CG1-CZ3 3.98Å; I257-W259 HydrophobicContact CG2-CD2 4.28Å; I257-W259 HydrophobicContact CG2-CE3 4.47Å; I257-W259 HydrophobicContact CG2-CH2 3.72Å; I257-W259 HydrophobicContact CG2-CZ2 3.47Å; I257-W259 VanDerWaalsContact CG2-CZ2 3.47Å; I257-W259 HydrophobicContact CG2-CZ3 4.21Å; W259-T262 HydrophobicContact CB-CG2 3.87Å; W259-T262 WeakPolarHBondContact O-CB 3.23Å; W259-T262 PolarHBondContact O-N 2.86Å; W259-T262 PolarHBondContact O-OG1 3.45Å; W259-R281 HydrophobicContact CD2-CG 4.11Å; W259-R281 HydrophobicContact CE3-CB 4.13Å; W259-R281 HydrophobicContact CE3-CG 3.45Å; W259-R281 VanDerWaalsContact CE3-CG 3.45Å; W259-R281 HydrophobicContact CH2-CG 3.92Å; W259-R281 HydrophobicContact CZ2-CG 4.49Å; W259-R281 HydrophobicContact CZ3-CB 4.48Å; W259-R281 HydrophobicContact CZ3-CG 3.35Å
260	R	90.8	Very high	88.8	Confident	29 Å²	29	23.4 Å²	23.4	11%	0.109	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	145.6	169.5	178.5	176	167	-177	-0.5	111.1	I169 P170 D172 T262 G277 T280 A282	I169-R260 WeakPolarHBondContact O-CA 3.48Å; P170-R260 WeakPolarHBondContact O-CD 3.46Å; D172-R260 WeakPolarHBondContact OD1-CB 3.04Å; D172-R260 PolarHBondContact OD1-N 2.98Å; R260-T262 PolarHBondContact O-N 2.65Å; R260-G277 PolarHBondContact NH1-O 3.19Å; R260-T280 HydrophobicContact CB-CG2 4.12Å; R260-T280 WeakPolarHBondContact CD-OG1 3.24Å; R260-A282 HydrophobicContact CB-CB 4.29Å; R260-A282 HydrophobicContact CG-CB 4.39Å
261	D	83.9	Confident	89.1	Confident	30 Å²	30	20.9 Å²	20.9	16%	0.16	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	1.9	-179.3	-68.3	-31.7	0	0	0	115.5	R168 I169 A282 H787	R168-D261 PolarHBondContact NH1-O 2.97Å; I169-D261 PolarHBondContact O-N 2.82Å; D261-A282 HydrophobicContact CB-CB 4.46Å; D261-H787 IonicContact OD1-CE1 2.7Å; D261-H787 IonicContact OD1-NE2 3.54Å; D261-H787 IonicContact OD2-CE1 3Å
262	T	88.2	Confident	89.3	Confident	2 Å²	2	17 Å²	17	1%	0.012	10%	0.103	C	C	.	.			trans	-80.8	156.3	165.2	67	0	0	0	0	110.5	I169 V187 R188 T189 L192 W259 R260	I169-T262 WeakPolarHBondContact CD1-OG1 3.39Å; I169-T262 PolarHBondContact N-O 2.8Å; V187-T262 VanDerWaalsContact CG1-CB 3.47Å; V187-T262 HydrophobicContact CG1-CG2 4.42Å; V187-T262 WeakPolarHBondContact CG1-OG1 3.45Å; R188-T262 WeakPolarHBondContact O-CA 2.99Å; R188-T262 VanDerWaalsContact O-CB 3.31Å; R188-T262 WeakPolarHBondContact O-CB 3.21Å; T189-T262 HydrophobicContact CG2-CG2 3.87Å; L192-T262 HydrophobicContact CB-CG2 4.48Å; W259-T262 HydrophobicContact CB-CG2 3.87Å; W259-T262 WeakPolarHBondContact O-CB 3.23Å; W259-T262 PolarHBondContact O-N 2.86Å; W259-T262 PolarHBondContact O-OG1 3.45Å; R260-T262 PolarHBondContact O-N 2.65Å
263	V	88.6	Confident	89.5	Confident	8 Å²	8	16.8 Å²	16.8	5%	0.048	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.6	-175	-173.7	0	0	0	0	110.1	R168 V187 R188 A265	R168-V263 HydrophobicContact CB-CG2 4.32Å; R168-V263 HydrophobicContact CG-CG2 4.34Å; V187-V263 WeakPolarHBondContact CA-O 3.43Å; R188-V263 HydrophobicContact CB-CB 4.39Å; R188-V263 PolarHBondContact N-O 2.83Å; R188-V263 PolarHBondContact O-N 3.49Å; V263-A265 PolarHBondContact O-N 3.13Å
264	L	89.5	Confident	89.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.5	174.1	-170.3	69.8	0	0	0	109	I163 D166 Q167 C185 V187 G267 A269	I163-L264 HydrophobicContact CB-CD2 4.38Å; I163-L264 HydrophobicContact CG2-CB 4.03Å; I163-L264 HydrophobicContact CG2-CD2 4.11Å; I163-L264 VanDerWaalsContact O-CD2 3.3Å; I163-L264 WeakPolarHBondContact O-CD2 3.47Å; D166-L264 WeakPolarHBondContact CA-O 3.48Å; D166-L264 PolarHBondContact N-O 3.08Å; Q167-L264 PolarHBondContact O-N 3.4Å; C185-L264 HydrophobicContact CB-CD1 4.01Å; V187-L264 HydrophobicContact CG2-CD1 4.36Å; L264-G267 WeakPolarHBondContact CD2-O 3.43Å; L264-A269 HydrophobicContact CD1-CB 3.98Å; L264-A269 HydrophobicContact CD2-CB 3.85Å
265	A	81.3	Confident	89.9	Confident	3 Å²	3	11.6 Å²	11.6	3%	0.025	7%	0.073	C	C	.	.			trans	-92.2	-29.7	-173.3	0	0	0	0	0	112.9	F186 R188 W198 V263	F186-A265 HydrophobicContact CB-CB 4.14Å; F186-A265 WeakPolarHBondContact O-CB 3.33Å; F186-A265 PolarHBondContact O-N 3.2Å; R188-A265 HydrophobicContact CG-CB 4.29Å; W198-A265 HydrophobicContact CD2-CB 3.99Å; W198-A265 HydrophobicContact CE3-CB 3.78Å; W198-A265 HydrophobicContact CH2-CB 4.04Å; W198-A265 HydrophobicContact CZ2-CB 4.27Å; W198-A265 HydrophobicContact CZ3-CB 3.76Å; V263-A265 PolarHBondContact O-N 3.13Å
266	A	76.7	Confident	90.1	Very high	20 Å²	20	8.4 Å²	8.4	17%	0.165	6%	0.056	C	C	.	.	S	Bend	trans	-145.8	141.7	-173.8	0	0	0	0	0	111.7	F186	F186-A266 HydrophobicContact CD2-CB 4.46Å
267	G	81.2	Confident	89.9	Confident	36 Å²	36	7.9 Å²	7.9	37%	0.371	5%	0.054	S	C	.	.	S	Bend	trans	68.1	-161.5	176.7	0	0	0	0	0	114.2	K165 S179 L264	K165-G267 PolarHBondContact N-O 3.36Å; K165-G267 VanDerWaalsContact N-O 3.16Å; S179-G267 WeakPolarHBondContact OG-CA 3.4Å; L264-G267 WeakPolarHBondContact CD2-O 3.43Å
268	S	89.5	Confident	89.5	Confident	23 Å²	23	11.9 Å²	11.9	16%	0.161	8%	0.081	C	C	.	.			trans	-118.1	145.1	170.2	63.9	0	0	0	0	110.7	I163 T178 S179	I163-S268 CarbonylContact O-C 3.56Å; I163-S268 VanDerWaalsContact O-CA 3.31Å; I163-S268 WeakPolarHBondContact O-CA 3.44Å; T178-S268 CarbonylContact C-O 3.57Å; T178-S268 WeakPolarHBondContact CA-O 3.47Å; S179-S268 PolarHBondContact N-O 2.93Å; S179-S268 PolarHBondContact OG-N 3.21Å
269	A	92.2	Very high	89.3	Confident	0 Å²	0	13 Å²	13	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.6	-179.4	0	0	0	0	0	110.7	I163 L175 L258 L264	I163-A269 PolarHBondContact N-O 3.4Å; I163-A269 PolarHBondContact O-N 3.46Å; L175-A269 HydrophobicContact CD1-CB 3.67Å; L258-A269 HydrophobicContact CD1-CB 4.38Å; L264-A269 HydrophobicContact CD1-CB 3.98Å; L264-A269 HydrophobicContact CD2-CB 3.85Å
270	V	93.6	Very high	89.2	Confident	1 Å²	1	12.5 Å²	12.5	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.9	171.8	-177.6	0	0	0	0	108.8	V160 L161 K162 L176 H177 E213 L216	V160-V270 HydrophobicContact CG1-CG1 3.47Å; V160-V270 VanDerWaalsContact CG1-CG1 3.47Å; L161-V270 CarbonylContact O-C 3.52Å; L161-V270 VanDerWaalsContact O-CA 3.32Å; L161-V270 WeakPolarHBondContact O-CA 3.48Å; K162-V270 HydrophobicContact CG-CG2 4.41Å; L176-V270 PolarHBondContact N-O 3.2Å; H177-V270 HydrophobicContact CB-CB 4.21Å; H177-V270 PolarHBondContact N-O 2.68Å; H177-V270 PolarHBondContact O-N 3.46Å; E213-V270 HydrophobicContact CG-CG2 3.89Å; L216-V270 HydrophobicContact CD1-CG1 3.89Å
271	C	93.9	Very high	89	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.5	-173.6	63.2	0	0	0	0	113.2	V160 L161 A173 V174 L258	V160-C271 CarbonylContact C-O 3.25Å; V160-C271 WeakPolarHBondContact CA-O 3.4Å; L161-C271 PolarHBondContact N-O 3.44Å; L161-C271 PolarHBondContact O-N 2.89Å; A173-C271 HydrophobicContact CB-CB 3.72Å; A173-C271 VanDerWaalsContact CB-SG 3.56Å; V174-C271 CarbonylContact O-C 3.47Å; V174-C271 WeakPolarHBondContact O-CA 3.48Å; V174-C271 WeakPolarHBondContact O-CB 3.39Å; L258-C271 HydrophobicContact CD1-CB 4.04Å
272	A	93.2	Very high	88.8	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.7	176.2	0	0	0	0	0	111.4	I44 D159 A173 V174 L176 I223 V274	I44-A272 HydrophobicContact CD1-CB 4.11Å; I44-A272 HydrophobicContact CG1-CB 4.48Å; D159-A272 WeakPolarHBondContact O-CA 3.43Å; A173-A272 CarbonylContact C-O 3.58Å; A173-A272 WeakPolarHBondContact CA-O 3.19Å; A173-A272 WeakPolarHBondContact CB-O 3.42Å; V174-A272 PolarHBondContact N-O 3.3Å; V174-A272 PolarHBondContact O-N 2.88Å; L176-A272 HydrophobicContact CD1-CB 3.86Å; L176-A272 HydrophobicContact CG-CB 4.34Å; I223-A272 HydrophobicContact CD1-CB 3.72Å; A272-V274 PolarHBondContact O-N 2.71Å
273	V	94.4	Very high	88.5	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126	-175.4	178.9	0	0	0	0	111.3	I155 Q156 G158 D159 L161 A171 A173 T276	I155-V273 HydrophobicContact CG2-CG1 4.25Å; I155-V273 HydrophobicContact CG2-CG2 3.81Å; Q156-V273 WeakPolarHBondContact O-CB 3.49Å; G158-V273 PolarHBondContact N-O 3.05Å; D159-V273 HydrophobicContact CB-CG2 4.45Å; D159-V273 PolarHBondContact O-N 2.94Å; L161-V273 HydrophobicContact CD1-CG2 3.5Å; L161-V273 HydrophobicContact CG-CG2 3.95Å; A171-V273 HydrophobicContact CB-CG1 3.76Å; A171-V273 HydrophobicContact CB-CG2 4.45Å; A173-V273 HydrophobicContact CB-CG2 4.44Å; V273-T276 HydrophobicContact CG1-CG2 3.56Å
274	V	93.4	Very high	88.1	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-35.6	180	-75.7	0	0	0	0	113.4	R40 D172 V174 I223 A225 I257 A272	R40-V274 VanDerWaalsContact CD-O 3.25Å; R40-V274 WeakPolarHBondContact CD-O 3.05Å; R40-V274 PolarHBondContact NH1-O 3.12Å; D172-V274 HydrophobicContact CB-CG2 4.47Å; D172-V274 WeakPolarHBondContact O-CG2 3.36Å; D172-V274 PolarHBondContact O-N 2.9Å; V174-V274 HydrophobicContact CG2-CG1 3.9Å; V174-V274 HydrophobicContact CG2-CG2 4.27Å; I223-V274 HydrophobicContact CG2-CG1 3.98Å; A225-V274 HydrophobicContact CB-CG1 4.45Å; I257-V274 HydrophobicContact CD1-CG2 4.16Å; A272-V274 PolarHBondContact O-N 2.71Å
275	Y	93.9	Very high	87.4	Confident	0 Å²	0	14 Å²	14	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.3	176.6	-49.3	-80.3	0	0	0	111.5	R40 A171 D172 E226 P228 F235 T280	R40-Y275 VanDerWaalsContact NH2-CD1 3.33Å; A171-Y275 WeakPolarHBondContact CB-O 3.41Å; D172-Y275 HydrophobicContact CB-CD2 3.75Å; D172-Y275 HydrophobicContact CB-CG 4.34Å; D172-Y275 PolarHBondContact N-O 2.9Å; D172-Y275 VanDerWaalsContact N-O 3.08Å; D172-Y275 PolarHBondContact O-N 2.96Å; E226-Y275 PolarHBondContact O-OH 2.95Å; P228-Y275 HydrophobicContact CB-CD1 4.39Å; P228-Y275 HydrophobicContact CB-CE1 4.29Å; P228-Y275 HydrophobicContact CG-CD1 3.78Å; P228-Y275 HydrophobicContact CG-CE1 3.65Å; F235-Y275 HydrophobicContact CE2-CE2 4.18Å; Y275-T280 WeakPolarHBondContact O-CG2 3.46Å
276	T	93.2	Very high	86.8	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.006	12%	0.117	C	C	.	.			trans	-125.5	153.8	-177.1	47.8	0	0	0	0	111.9	P54 N56 V157 A171 V273 C278 E279	P54-T276 PolarHBondContact O-OG1 3.1Å; N56-T276 HydrophobicContact CB-CG2 4.24Å; V157-T276 HydrophobicContact CG2-CG2 3.95Å; A171-T276 HydrophobicContact CB-CG2 4.37Å; V273-T276 HydrophobicContact CG1-CG2 3.56Å; T276-C278 PolarHBondContact O-N 2.67Å; T276-E279 PolarHBondContact O-N 3.26Å
277	G	88.6	Confident	86.2	Confident	2 Å²	2	17.6 Å²	17.6	2%	0.021	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	58.4	-123.5	170.2	0	0	0	0	0	113.6	N56 R260 E279 T280 A283	N56-G277 PolarHBondContact OD1-N 2.94Å; R260-G277 PolarHBondContact NH1-O 3.19Å; G277-E279 VanDerWaalsContact C-N 3.26Å; G277-E279 PolarHBondContact O-N 3.14Å; G277-T280 PolarHBondContact O-N 2.96Å; G277-T280 PolarHBondContact O-OG1 3.12Å; G277-A283 WeakPolarHBondContact O-CB 3.3Å
278	C	86.1	Confident	85.5	Confident	84 Å²	84	24.2 Å²	24.2	57%	0.568	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-72.6	-11.3	-176.6	57.9	0	0	0	0	114.9	T276 L284	T276-C278 PolarHBondContact O-N 2.67Å; C278-L284 WeakPolarHBondContact O-CD2 3.47Å
279	E	90.4	Very high	84.3	Confident	24 Å²	24	25.6 Å²	25.6	11%	0.112	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-89.9	-9.5	178.4	-72.9	176.6	179.4	0	0	113.2	R40 P54 P228 T276 G277 L284	R40-E279 IonicContact CZ-OE2 2.76Å; R40-E279 VanDerWaalsContact CZ-OE2 3.25Å; R40-E279 IonicContact NH1-OE2 2.75Å; R40-E279 PolarHBondContact NH1-OE2 2.99Å; R40-E279 IonicContact NH2-OE1 3.49Å; R40-E279 IonicContact NH2-OE2 3.93Å; R40-E279 PolarHBondContact NH2-OE2 3.48Å; P54-E279 VanDerWaalsContact CD-CD 3.5Å; P54-E279 WeakPolarHBondContact CD-OE1 3.2Å; P54-E279 HydrophobicContact CG-CB 4.37Å; P54-E279 HydrophobicContact CG-CG 3.79Å; P228-E279 HydrophobicContact CB-CB 4.4Å; P228-E279 HydrophobicContact CG-CB 4.1Å; P228-E279 HydrophobicContact CG-CG 4.15Å; T276-E279 PolarHBondContact O-N 3.26Å; G277-E279 VanDerWaalsContact C-N 3.26Å; G277-E279 PolarHBondContact O-N 3.14Å; E279-L284 WeakPolarHBondContact O-CD1 3.26Å
280	T	90.2	Very high	83.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-66.3	146.3	177.6	56.4	0	0	0	0	111.7	D172 R260 Y275 G277 A282 A283 L284	D172-T280 VanDerWaalsContact OD2-CA 3.24Å; D172-T280 WeakPolarHBondContact OD2-CA 3.38Å; R260-T280 HydrophobicContact CB-CG2 4.12Å; R260-T280 WeakPolarHBondContact CD-OG1 3.24Å; Y275-T280 WeakPolarHBondContact O-CG2 3.46Å; G277-T280 PolarHBondContact O-N 2.96Å; G277-T280 PolarHBondContact O-OG1 3.12Å; T280-A282 VanDerWaalsContact C-N 3.26Å; T280-A282 PolarHBondContact O-N 2.94Å; T280-A283 PolarHBondContact O-N 3.41Å; T280-A283 VanDerWaalsContact OG1-CB 3.27Å; T280-A283 WeakPolarHBondContact OG1-CB 3.48Å; T280-A283 PolarHBondContact OG1-N 3.14Å; T280-L284 WeakPolarHBondContact O-CG 3.43Å; T280-L284 PolarHBondContact O-N 3.3Å
281	R	86.4	Confident	82	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.9	-41.4	178.9	-68.2	-57.9	-159.9	-108.8	-3.1	112.5	D172 E226 Q229 N231 I232 W259 L284 N285	D172-R281 PolarHBondContact OD2-N 2.94Å; E226-R281 IonicContact OE1-NH2 2.65Å; E226-R281 PolarHBondContact OE1-NH2 3.47Å; Q229-R281 WeakPolarHBondContact O-CD 3.43Å; Q229-R281 PolarHBondContact O-NE 3.26Å; Q229-R281 PolarHBondContact O-NH1 3.4Å; N231-R281 PolarHBondContact O-NE 3.3Å; I232-R281 HydrophobicContact CG2-CB 4.26Å; W259-R281 HydrophobicContact CD2-CG 4.11Å; W259-R281 HydrophobicContact CE3-CB 4.13Å; W259-R281 HydrophobicContact CE3-CG 3.45Å; W259-R281 VanDerWaalsContact CE3-CG 3.45Å; W259-R281 HydrophobicContact CH2-CG 3.92Å; W259-R281 HydrophobicContact CZ2-CG 4.49Å; W259-R281 HydrophobicContact CZ3-CB 4.48Å; W259-R281 HydrophobicContact CZ3-CG 3.35Å; R281-L284 PolarHBondContact O-N 3.29Å; R281-N285 PolarHBondContact O-N 3.15Å; R281-N285 VanDerWaalsContact O-N 3.13Å; R281-N285 PolarHBondContact O-ND2 2.88Å
282	A	81.3	Confident	81.3	Confident	9 Å²	9	34.8 Å²	34.8	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-45.6	176.6	0	0	0	0	0	111.9	L192 R260 D261 T280 N285 T286	L192-A282 HydrophobicContact CD1-CB 3.98Å; R260-A282 HydrophobicContact CB-CB 4.29Å; R260-A282 HydrophobicContact CG-CB 4.39Å; D261-A282 HydrophobicContact CB-CB 4.46Å; T280-A282 VanDerWaalsContact C-N 3.26Å; T280-A282 PolarHBondContact O-N 2.94Å; A282-N285 PolarHBondContact O-N 3.49Å; A282-T286 PolarHBondContact O-N 2.92Å; A282-T286 VanDerWaalsContact O-N 3.17Å; A282-T286 PolarHBondContact O-OG1 2.76Å
283	A	81	Confident	80.7	Confident	32 Å²	32	37.2 Å²	37.2	26%	0.264	21%	0.206	S	C	.	.	H	α-helix	trans	-68.7	-39	178.8	0	0	0	0	0	112.6	G277 T280 N285 T286	G277-A283 WeakPolarHBondContact O-CB 3.3Å; T280-A283 PolarHBondContact O-N 3.41Å; T280-A283 VanDerWaalsContact OG1-CB 3.27Å; T280-A283 WeakPolarHBondContact OG1-CB 3.48Å; T280-A283 PolarHBondContact OG1-N 3.14Å; A283-N285 VanDerWaalsContact C-N 3.25Å; A283-N285 PolarHBondContact O-N 2.94Å; A283-T286 PolarHBondContact O-N 2.85Å; A283-T286 VanDerWaalsContact O-N 3.13Å
284	L	80.8	Confident	80.2	Confident	30 Å²	30	37.3 Å²	37.3	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-27.6	178.5	-70.7	173.9	0	0	0	113.4	M37 P228 Q229 K230 C278 E279 T280 R281	M37-L284 HydrophobicContact CE-CD2 3.79Å; P228-L284 HydrophobicContact CB-CD1 3.97Å; Q229-L284 WeakPolarHBondContact O-CD1 3.45Å; K230-L284 HydrophobicContact CG-CB 4.3Å; C278-L284 WeakPolarHBondContact O-CD2 3.47Å; E279-L284 WeakPolarHBondContact O-CD1 3.26Å; T280-L284 WeakPolarHBondContact O-CG 3.43Å; T280-L284 PolarHBondContact O-N 3.3Å; R281-L284 PolarHBondContact O-N 3.29Å
285	N	73.6	Confident	80	Confident	30 Å²	30	39.7 Å²	39.7	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-90.2	-8.1	175.2	-72.6	-48.8	0	0	0	113.2	K230 R281 A282 A283	K230-N285 PolarHBondContact O-ND2 2.93Å; R281-N285 PolarHBondContact O-N 3.15Å; R281-N285 VanDerWaalsContact O-N 3.13Å; R281-N285 PolarHBondContact O-ND2 2.88Å; A282-N285 PolarHBondContact O-N 3.49Å; A283-N285 VanDerWaalsContact C-N 3.25Å; A283-N285 PolarHBondContact O-N 2.94Å
286	T	70.1	Confident	79.9	Confident	63 Å²	63	39.8 Å²	39.8	39%	0.387	22%	0.22	S	C	.	.	S	Bend	trans	-91	123.6	176.6	-57.2	0	0	0	0	110.4	A282 A283 V768	A282-T286 PolarHBondContact O-N 2.92Å; A282-T286 VanDerWaalsContact O-N 3.17Å; A282-T286 PolarHBondContact O-OG1 2.76Å; A283-T286 PolarHBondContact O-N 2.85Å; A283-T286 VanDerWaalsContact O-N 3.13Å; T286-V768 HydrophobicContact CG2-CG1 3.84Å
287	S	64.1	Low	79.7	Confident	34 Å²	34	40.2 Å²	40.2	24%	0.238	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-72.3	154.3	175.6	44.9	0	0	0	0	112.5	Q772	S287-Q772 PolarHBondContact O-NE2 3.27Å; S287-Q772 PolarHBondContact O-OE1 2.85Å; S287-Q772 PolarHBondContact OG-OE1 2.87Å
288	Q	65.7	Low	79.6	Confident	176 Å²	176	46.9 Å²	46.9	82%	0.822	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-70.9	137	177.5	-69.9	-172.7	0	0	0	111	R290	Q288-R290 PolarHBondContact O-N 3.13Å
289	P	63.2	Low	79.8	Confident	51 Å²	51	45.2 Å²	45.2	33%	0.331	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-66.2	120.8	-179.4	25.9	-32.8	0	0	0	110.9
290	R	68.9	Low	79.8	Confident	131 Å²	131	44.5 Å²	44.5	49%	0.494	23%	0.228	S	C	.	.			trans	-104.1	151.1	176	69.2	178.7	-179	-177.7	-2.1	112.4	Q288 K292 Q772 A773 A774	Q288-R290 PolarHBondContact O-N 3.13Å; R290-K292 PolarHBondContact O-N 2.84Å; R290-Q772 PolarHBondContact NE-O 2.68Å; R290-Q772 PolarHBondContact NH2-O 3.23Å; R290-Q772 VanDerWaalsContact NH2-O 3.15Å; R290-A773 VanDerWaalsContact NH2-C 3.31Å; R290-A773 PolarHBondContact NH2-O 2.92Å; R290-A774 PolarHBondContact NH2-O 3.45Å
291	S	69.1	Low	79.7	Confident	41 Å²	41	45.9 Å²	45.9	29%	0.287	24%	0.235	S	C	.	.			trans	-71.8	115.8	165.3	-67.7	0	0	0	0	109.9	K62 E75	K62-S291 VanDerWaalsContact CE-OG 3.29Å; K62-S291 WeakPolarHBondContact CE-OG 3.33Å; K62-S291 PolarHBondContact NZ-OG 2.79Å; E75-S291 VanDerWaalsContact OE1-CB 3.28Å; E75-S291 WeakPolarHBondContact OE1-CB 3.37Å; E75-S291 PolarHBondContact OE1-OG 3.34Å
292	K	79	Confident	79.8	Confident	23 Å²	23	49.7 Å²	49.7	10%	0.1	26%	0.255	C	S	.	.			trans	-80	134.2	174.4	-59.4	-169	-173.4	-177.9	0	109.6	R290 T377 I378 I771 A774 D775 D793	R290-K292 PolarHBondContact O-N 2.84Å; K292-T377 PolarHBondContact O-OG1 2.86Å; K292-I378 HydrophobicContact CB-CD1 4.36Å; K292-I378 HydrophobicContact CB-CG2 4.15Å; K292-I378 HydrophobicContact CD-CD1 4.1Å; K292-I771 PolarHBondContact NZ-O 3.43Å; K292-A774 VanDerWaalsContact CE-O 3.27Å; K292-A774 WeakPolarHBondContact CE-O 3.11Å; K292-A774 PolarHBondContact NZ-O 3.45Å; K292-D775 VanDerWaalsContact CD-O 3.25Å; K292-D775 WeakPolarHBondContact CD-O 3.16Å; K292-D793 WeakPolarHBondContact CD-OD2 3.4Å; K292-D793 VanDerWaalsContact CE-OD2 3.27Å; K292-D793 WeakPolarHBondContact CE-OD2 3.46Å; K292-D793 IonicContact NZ-OD2 3.63Å; K292-D793 PolarHBondContact NZ-OD2 3.17Å
293	V	81.2	Confident	80.2	Confident	50 Å²	50	49.9 Å²	49.9	30%	0.303	26%	0.255	S	S	.	.			trans	-111.5	124.2	175.4	179.5	0	0	0	0	107.9	F79 D297 R298	F79-V293 HydrophobicContact CE1-CG1 4.1Å; F79-V293 HydrophobicContact CZ-CG1 4.24Å; F79-V293 HydrophobicContact CZ-CG2 4.17Å; V293-D297 HydrophobicContact CG1-CB 4.26Å; V293-R298 HydrophobicContact CG1-CG 4.34Å
294	G	84.6	Confident	80.5	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.021	24%	0.243	C	C	.	.			trans	-65.6	149.7	179.6	0	0	0	0	0	113	D297 R298 E381	G294-D297 PolarHBondContact O-N 3.01Å; G294-R298 WeakPolarHBondContact O-CG 3.28Å; G294-R298 PolarHBondContact O-N 3.27Å; G294-E381 WeakPolarHBondContact CA-OE1 3.05Å
295	L	89.5	Confident	81	Confident	51 Å²	51	51 Å²	51	27%	0.267	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-35.8	165.8	172.5	67.1	0	0	0	110.8	D297 R298 E299 E381 R384 L757	L295-D297 PolarHBondContact O-N 3.36Å; L295-R298 WeakPolarHBondContact O-CB 3.44Å; L295-R298 PolarHBondContact O-N 2.78Å; L295-R298 VanDerWaalsContact O-N 3.16Å; L295-E299 HydrophobicContact CD1-CG 4.46Å; L295-E299 WeakPolarHBondContact O-CG 3.24Å; L295-E299 PolarHBondContact O-N 3.19Å; L295-E381 WeakPolarHBondContact CA-OE1 3.1Å; L295-E381 VanDerWaalsContact N-CD 3.31Å; L295-E381 PolarHBondContact N-OE1 2.91Å; L295-R384 VanDerWaalsContact CD2-NH2 3.3Å; L295-L757 HydrophobicContact CB-CD2 4.14Å; L295-L757 HydrophobicContact CD2-CD1 4.16Å; L295-L757 HydrophobicContact CD2-CD2 4.4Å; L295-L757 HydrophobicContact CD2-CG 4.22Å
296	F	90.3	Very high	81.9	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-46.3	174.6	175.1	-95.3	0	0	0	111.7	R298 E299 V300 L351 E380 E381 R384 Y814 L897	F296-R298 VanDerWaalsContact C-N 3.27Å; F296-R298 PolarHBondContact O-N 3.34Å; F296-E299 PolarHBondContact O-N 3.42Å; F296-V300 HydrophobicContact CD1-CG2 4.22Å; F296-V300 HydrophobicContact CE1-CG2 3.73Å; F296-V300 HydrophobicContact CE2-CG2 4.12Å; F296-V300 HydrophobicContact CZ-CG2 3.67Å; F296-V300 WeakPolarHBondContact O-CG2 3.45Å; F296-V300 PolarHBondContact O-N 3.11Å; F296-L351 HydrophobicContact CE1-CD1 3.98Å; F296-L351 HydrophobicContact CE1-CD2 3.81Å; F296-L351 HydrophobicContact CE1-CG 4.5Å; F296-L351 HydrophobicContact CZ-CD2 4.04Å; F296-E380 HydrophobicContact CB-CB 4.14Å; F296-E380 HydrophobicContact CD1-CG 4.25Å; F296-E380 HydrophobicContact CG-CB 4.33Å; F296-E380 HydrophobicContact CG-CG 4.34Å; F296-E381 PolarHBondContact N-OE1 2.9Å; F296-R384 VanDerWaalsContact N-NH2 3.1Å; F296-Y814 HydrophobicContact CD2-CD2 4.39Å; F296-Y814 HydrophobicContact CD2-CE2 4.23Å; F296-L897 HydrophobicContact CD2-CD2 4.3Å; F296-L897 HydrophobicContact CE2-CD1 4.35Å; F296-L897 HydrophobicContact CE2-CD2 4.06Å
297	D	88.8	Confident	82.9	Confident	11 Å²	11	50.3 Å²	50.3	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-36.2	177.4	-69.9	-34.9	0	0	0	111.8	V293 G294 L295 N301 K355	V293-D297 HydrophobicContact CG1-CB 4.26Å; G294-D297 PolarHBondContact O-N 3.01Å; L295-D297 PolarHBondContact O-N 3.36Å; D297-N301 VanDerWaalsContact O-CB 3.26Å; D297-N301 WeakPolarHBondContact O-CB 3.49Å; D297-N301 PolarHBondContact O-N 3.03Å; D297-K355 IonicContact OD1-NZ 3.51Å; D297-K355 PolarHBondContact OD1-NZ 2.79Å; D297-K355 IonicContact OD2-NZ 3.65Å; D297-K355 PolarHBondContact OD2-NZ 3.5Å
298	R	88.3	Confident	84.2	Confident	142 Å²	142	51.3 Å²	51.3	54%	0.536	25%	0.246	S	C	.	.	H	α-helix	trans	-67.1	-40.9	175.9	-67.9	176.6	-174.4	174.8	3.5	111.9	V293 G294 L295 F296 N301 N302	V293-R298 HydrophobicContact CG1-CG 4.34Å; G294-R298 WeakPolarHBondContact O-CG 3.28Å; G294-R298 PolarHBondContact O-N 3.27Å; L295-R298 WeakPolarHBondContact O-CB 3.44Å; L295-R298 PolarHBondContact O-N 2.78Å; L295-R298 VanDerWaalsContact O-N 3.16Å; F296-R298 VanDerWaalsContact C-N 3.27Å; F296-R298 PolarHBondContact O-N 3.34Å; R298-N301 PolarHBondContact O-N 2.97Å; R298-N302 PolarHBondContact O-N 3.4Å
299	E	89.7	Confident	85.5	Confident	49 Å²	49	46.9 Å²	46.9	23%	0.229	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-46.2	176.7	-70.2	168.7	161.2	0	0	111.2	L295 F296 N301 N302 L303 R384 L897	L295-E299 HydrophobicContact CD1-CG 4.46Å; L295-E299 WeakPolarHBondContact O-CG 3.24Å; L295-E299 PolarHBondContact O-N 3.19Å; F296-E299 PolarHBondContact O-N 3.42Å; E299-N301 VanDerWaalsContact C-N 3.3Å; E299-N301 PolarHBondContact O-N 2.85Å; E299-N302 PolarHBondContact O-N 2.74Å; E299-N302 VanDerWaalsContact O-N 3.08Å; E299-L303 PolarHBondContact O-N 3.36Å; E299-R384 VanDerWaalsContact CD-NH1 3.26Å; E299-R384 IonicContact OE1-NH1 3.07Å; E299-R384 PolarHBondContact OE1-NH1 2.81Å; E299-R384 IonicContact OE2-CZ 2.63Å; E299-R384 IonicContact OE2-NH1 2.97Å; E299-R384 PolarHBondContact OE2-NH1 3.5Å; E299-R384 IonicContact OE2-NH2 2.88Å; E299-L897 HydrophobicContact CB-CD2 3.84Å
300	V	89	Confident	86.9	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-41.6	174.5	173.7	0	0	0	0	111.2	F296 N302 L303 T304 L347 L351 L897	F296-V300 HydrophobicContact CD1-CG2 4.22Å; F296-V300 HydrophobicContact CE1-CG2 3.73Å; F296-V300 HydrophobicContact CE2-CG2 4.12Å; F296-V300 HydrophobicContact CZ-CG2 3.67Å; F296-V300 WeakPolarHBondContact O-CG2 3.45Å; F296-V300 PolarHBondContact O-N 3.11Å; V300-N302 VanDerWaalsContact C-N 3.3Å; V300-N302 PolarHBondContact O-N 2.63Å; V300-L303 PolarHBondContact O-N 3.41Å; V300-T304 WeakPolarHBondContact O-CB 3.43Å; V300-T304 PolarHBondContact O-N 3Å; V300-T304 PolarHBondContact O-OG1 2.85Å; V300-L347 HydrophobicContact CG1-CD2 3.73Å; V300-L347 HydrophobicContact CG1-CG 4.41Å; V300-L351 HydrophobicContact CG1-CD1 4.28Å; V300-L351 HydrophobicContact CG2-CD1 4.47Å; V300-L897 HydrophobicContact CG2-CD2 3.94Å
301	N	88.6	Confident	88	Confident	29 Å²	29	41.5 Å²	41.5	16%	0.155	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-34.7	175.4	-172.9	63.3	0	0	0	112.1	F80 D297 R298 E299 T304 K305	F80-N301 WeakPolarHBondContact CB-OD1 3.3Å; F80-N301 PolarHBondContact N-OD1 3.4Å; D297-N301 VanDerWaalsContact O-CB 3.26Å; D297-N301 WeakPolarHBondContact O-CB 3.49Å; D297-N301 PolarHBondContact O-N 3.03Å; R298-N301 PolarHBondContact O-N 2.97Å; E299-N301 VanDerWaalsContact C-N 3.3Å; E299-N301 PolarHBondContact O-N 2.85Å; N301-T304 WeakPolarHBondContact O-CB 3.39Å; N301-T304 PolarHBondContact O-N 2.85Å; N301-K305 WeakPolarHBondContact O-CG 3.14Å; N301-K305 PolarHBondContact O-N 3.37Å; N301-K305 VanDerWaalsContact O-N 3.16Å
302	N	89	Confident	89.2	Confident	80 Å²	80	43.4 Å²	43.4	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-71.3	-40.9	174.4	-73.4	-18.9	0	0	0	112.4	R298 E299 V300 T304 K305 I306	R298-N302 PolarHBondContact O-N 3.4Å; E299-N302 PolarHBondContact O-N 2.74Å; E299-N302 VanDerWaalsContact O-N 3.08Å; V300-N302 VanDerWaalsContact C-N 3.3Å; V300-N302 PolarHBondContact O-N 2.63Å; N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 3.28Å; N302-K305 WeakPolarHBondContact O-CB 3.34Å; N302-K305 PolarHBondContact O-N 2.95Å; N302-K305 VanDerWaalsContact O-N 3.16Å; N302-K305 PolarHBondContact OD1-NZ 3.33Å; N302-I306 PolarHBondContact O-N 3.05Å; N302-I306 VanDerWaalsContact O-N 3.15Å
303	L	88.9	Confident	89.9	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-38.9	171.8	-69.9	177	0	0	0	111.7	E299 V300 K305 I306 L307 L897 F902	E299-L303 PolarHBondContact O-N 3.36Å; V300-L303 PolarHBondContact O-N 3.41Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 3.21Å; L303-I306 HydrophobicContact CD2-CD1 4.43Å; L303-I306 WeakPolarHBondContact O-CB 3.21Å; L303-I306 PolarHBondContact O-N 2.7Å; L303-I306 VanDerWaalsContact O-N 3.15Å; L303-L307 WeakPolarHBondContact O-CG 3.25Å; L303-L307 PolarHBondContact O-N 2.67Å; L303-L897 HydrophobicContact CD1-CD1 4.34Å; L303-L897 HydrophobicContact CD1-CD2 3.93Å; L303-L897 HydrophobicContact CD1-CG 3.86Å; L303-F902 HydrophobicContact CD1-CD2 4.46Å; L303-F902 HydrophobicContact CD2-CB 4.16Å; L303-F902 HydrophobicContact CD2-CD1 4.34Å; L303-F902 HydrophobicContact CD2-CD2 4.1Å; L303-F902 HydrophobicContact CD2-CG 3.94Å
304	T	88.6	Confident	90.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-40.2	174.7	-59.3	0	0	0	0	112	F80 L81 V300 N301 N302 I306 L307 F308 I343	F80-T304 HydrophobicContact CD1-CG2 4.08Å; F80-T304 HydrophobicContact CE1-CG2 4.37Å; L81-T304 HydrophobicContact CB-CG2 4.24Å; L81-T304 HydrophobicContact CD1-CG2 3.61Å; V300-T304 WeakPolarHBondContact O-CB 3.43Å; V300-T304 PolarHBondContact O-N 3Å; V300-T304 PolarHBondContact O-OG1 2.85Å; N301-T304 WeakPolarHBondContact O-CB 3.39Å; N301-T304 PolarHBondContact O-N 2.85Å; N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 3.28Å; T304-I306 VanDerWaalsContact C-N 3.34Å; T304-I306 PolarHBondContact O-N 2.63Å; T304-L307 PolarHBondContact O-N 3.29Å; T304-F308 PolarHBondContact O-N 3.37Å; T304-I343 HydrophobicContact CG2-CD1 4.25Å; T304-I343 HydrophobicContact CG2-CG2 3.76Å
305	K	90.9	Very high	90.9	Very high	84 Å²	84	46.5 Å²	46.5	37%	0.365	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-40.1	174.9	-66.6	167.8	-168.3	166.4	0	111.7	F80 N301 N302 L303 F308 V309	F80-K305 HydrophobicContact CD1-CG 3.79Å; F80-K305 HydrophobicContact CE1-CG 4.08Å; F80-K305 HydrophobicContact CG-CG 4.13Å; N301-K305 WeakPolarHBondContact O-CG 3.14Å; N301-K305 PolarHBondContact O-N 3.37Å; N301-K305 VanDerWaalsContact O-N 3.16Å; N302-K305 WeakPolarHBondContact O-CB 3.34Å; N302-K305 PolarHBondContact O-N 2.95Å; N302-K305 VanDerWaalsContact O-N 3.16Å; N302-K305 PolarHBondContact OD1-NZ 3.33Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 3.21Å; K305-F308 WeakPolarHBondContact O-CB 3.06Å; K305-F308 PolarHBondContact O-N 2.75Å; K305-V309 WeakPolarHBondContact O-CG2 3.3Å; K305-V309 PolarHBondContact O-N 3.28Å
306	I	91.3	Very high	91.1	Very high	77 Å²	77	47.5 Å²	47.5	40%	0.395	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-45.9	176.1	-64.2	171.5	0	0	0	110.2	N302 L303 T304 F308 V309 L310 L899 F902	N302-I306 PolarHBondContact O-N 3.05Å; N302-I306 VanDerWaalsContact O-N 3.15Å; L303-I306 HydrophobicContact CD2-CD1 4.43Å; L303-I306 WeakPolarHBondContact O-CB 3.21Å; L303-I306 PolarHBondContact O-N 2.7Å; L303-I306 VanDerWaalsContact O-N 3.15Å; T304-I306 VanDerWaalsContact C-N 3.34Å; T304-I306 PolarHBondContact O-N 2.63Å; I306-F308 VanDerWaalsContact C-N 3.31Å; I306-F308 PolarHBondContact O-N 2.95Å; I306-V309 PolarHBondContact O-N 3.36Å; I306-L310 PolarHBondContact O-N 3.34Å; I306-L899 HydrophobicContact CD1-CD1 3.89Å; I306-F902 HydrophobicContact CG2-CE1 4.33Å
307	L	91.1	Very high	91.3	Very high	2 Å²	2	52 Å²	52	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-39.9	175.5	-75.1	170.5	0	0	0	112.3	L303 T304 L310 A311 V342 I343 I825 L829 F902	L303-L307 WeakPolarHBondContact O-CG 3.25Å; L303-L307 PolarHBondContact O-N 2.67Å; T304-L307 PolarHBondContact O-N 3.29Å; L307-L310 PolarHBondContact O-N 3.14Å; L307-A311 WeakPolarHBondContact O-CB 3.07Å; L307-A311 PolarHBondContact O-N 3.31Å; L307-V342 HydrophobicContact CB-CG1 3.98Å; L307-V342 HydrophobicContact CD2-CG1 3.56Å; L307-V342 HydrophobicContact CG-CG1 4.29Å; L307-I343 HydrophobicContact CB-CG1 4.05Å; L307-I825 HydrophobicContact CD1-CD1 4.47Å; L307-I825 HydrophobicContact CD1-CG1 4.38Å; L307-I825 HydrophobicContact CD1-CG2 4.03Å; L307-L829 HydrophobicContact CD2-CD1 4.46Å; L307-L829 HydrophobicContact CD2-CD2 3.93Å; L307-L829 HydrophobicContact CD2-CG 4.42Å; L307-F902 HydrophobicContact CD1-CE2 4.18Å; L307-F902 HydrophobicContact CD1-CZ 4.47Å; L307-F902 HydrophobicContact CD2-CE2 3.86Å; L307-F902 HydrophobicContact CD2-CZ 3.5Å; L307-F902 HydrophobicContact CG-CE2 3.99Å; L307-F902 HydrophobicContact CG-CZ 3.78Å
308	F	92.1	Very high	91.5	Very high	55 Å²	55	51.8 Å²	51.8	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-46.4	174.7	174.1	-100.5	0	0	0	112.4	F80 F84 T304 K305 I306 L310 A311 F312 I343	F80-F308 HydrophobicContact CE1-CB 3.84Å; F80-F308 HydrophobicContact CE1-CG 4.09Å; F80-F308 HydrophobicContact CZ-CB 3.97Å; F80-F308 AromaticContact CZ-CD1 3.8Å; F80-F308 HydrophobicContact CZ-CD1 3.8Å; F80-F308 HydrophobicContact CZ-CD2 4.17Å; F80-F308 HydrophobicContact CZ-CE1 4.34Å; F80-F308 AromaticContact CZ-CG 3.7Å; F80-F308 HydrophobicContact CZ-CG 3.7Å; F84-F308 AromaticContact CD2-CD2 3.66Å; F84-F308 HydrophobicContact CD2-CD2 3.66Å; F84-F308 AromaticContact CD2-CE2 3.75Å; F84-F308 HydrophobicContact CD2-CE2 3.75Å; F84-F308 AromaticContact CE2-CD2 3.51Å; F84-F308 HydrophobicContact CE2-CD2 3.51Å; F84-F308 AromaticContact CE2-CE2 3.59Å; F84-F308 HydrophobicContact CE2-CE2 3.59Å; F84-F308 HydrophobicContact CZ-CD2 4.37Å; T304-F308 PolarHBondContact O-N 3.37Å; K305-F308 WeakPolarHBondContact O-CB 3.06Å; K305-F308 PolarHBondContact O-N 2.75Å; I306-F308 VanDerWaalsContact C-N 3.31Å; I306-F308 PolarHBondContact O-N 2.95Å; F308-L310 VanDerWaalsContact C-N 3.28Å; F308-L310 PolarHBondContact O-N 3.41Å; F308-A311 PolarHBondContact O-N 2.79Å; F308-F312 WeakPolarHBondContact O-CB 3.32Å; F308-F312 PolarHBondContact O-N 2.99Å; F308-I343 HydrophobicContact CB-CD1 3.82Å; F308-I343 HydrophobicContact CD2-CD1 4.45Å
309	V	93.5	Very high	91.7	Very high	83 Å²	83	45.1 Å²	45.1	50%	0.503	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-42.2	176.2	172.4	0	0	0	0	110.4	K305 I306 F312 L313	K305-V309 WeakPolarHBondContact O-CG2 3.3Å; K305-V309 PolarHBondContact O-N 3.28Å; I306-V309 PolarHBondContact O-N 3.36Å; V309-F312 PolarHBondContact O-N 3.49Å; V309-L313 HydrophobicContact CG1-CD1 4Å; V309-L313 HydrophobicContact CG1-CG 4.4Å; V309-L313 VanDerWaalsContact O-CG 3.31Å; V309-L313 WeakPolarHBondContact O-CG 3.33Å; V309-L313 PolarHBondContact O-N 2.96Å
310	L	92	Very high	91.9	Very high	65 Å²	65	44.2 Å²	44.2	34%	0.34	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-45.4	176.7	-176.2	68.3	0	0	0	112.3	I306 L307 F308 F312 L313 L314 F906	I306-L310 PolarHBondContact O-N 3.34Å; L307-L310 PolarHBondContact O-N 3.14Å; F308-L310 VanDerWaalsContact C-N 3.28Å; F308-L310 PolarHBondContact O-N 3.41Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 PolarHBondContact O-N 3.05Å; L310-L313 PolarHBondContact O-N 3.45Å; L310-L314 WeakPolarHBondContact O-CB 3.2Å; L310-L314 PolarHBondContact O-N 2.94Å; L310-F906 HydrophobicContact CD2-CD2 4.08Å; L310-F906 HydrophobicContact CD2-CE2 3.26Å; L310-F906 HydrophobicContact CD2-CZ 3.69Å
311	A	92.2	Very high	92	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-39.4	177.3	0	0	0	0	0	112	L307 F308 L314 A315 F339	L307-A311 WeakPolarHBondContact O-CB 3.07Å; L307-A311 PolarHBondContact O-N 3.31Å; F308-A311 PolarHBondContact O-N 2.79Å; A311-L314 PolarHBondContact O-N 3.2Å; A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.33Å; A311-F339 HydrophobicContact CB-CB 4.32Å
312	F	94	Very high	92	Very high	82 Å²	82	50.8 Å²	50.8	36%	0.36	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-48.4	174.8	-175.7	-80.3	0	0	0	111.8	F308 V309 L310 L314 A315 L316 F332 L336	F308-F312 WeakPolarHBondContact O-CB 3.32Å; F308-F312 PolarHBondContact O-N 2.99Å; V309-F312 PolarHBondContact O-N 3.49Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 PolarHBondContact O-N 3.05Å; F312-L314 VanDerWaalsContact C-N 3.34Å; F312-L314 PolarHBondContact O-N 3Å; F312-A315 PolarHBondContact O-N 3.18Å; F312-L316 PolarHBondContact O-N 3.25Å; F312-F332 HydrophobicContact CD1-CZ 4.44Å; F312-F332 HydrophobicContact CD2-CE1 4.35Å; F312-F332 AromaticContact CD2-CZ 3.62Å; F312-F332 HydrophobicContact CD2-CZ 3.62Å; F312-F332 HydrophobicContact CE1-CZ 4.23Å; F312-F332 AromaticContact CE2-CE1 3.88Å; F312-F332 HydrophobicContact CE2-CE1 3.88Å; F312-F332 HydrophobicContact CE2-CE2 4.45Å; F312-F332 AromaticContact CE2-CZ 3.38Å; F312-F332 HydrophobicContact CE2-CZ 3.38Å; F312-F332 HydrophobicContact CG-CZ 4.15Å; F312-F332 HydrophobicContact CZ-CE1 4.37Å; F312-F332 HydrophobicContact CZ-CE2 4.45Å; F312-F332 AromaticContact CZ-CZ 3.7Å; F312-F332 HydrophobicContact CZ-CZ 3.7Å; F312-L336 HydrophobicContact CB-CD1 4.43Å
313	L	94.9	Very high	91.9	Very high	96 Å²	96	49.1 Å²	49.1	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-40.5	178.1	-70.6	173.4	0	0	0	111.7	V309 L310 L316 L317	V309-L313 HydrophobicContact CG1-CD1 4Å; V309-L313 HydrophobicContact CG1-CG 4.4Å; V309-L313 VanDerWaalsContact O-CG 3.31Å; V309-L313 WeakPolarHBondContact O-CG 3.33Å; V309-L313 PolarHBondContact O-N 2.96Å; L310-L313 PolarHBondContact O-N 3.45Å; L313-L316 PolarHBondContact O-N 2.79Å; L313-L317 WeakPolarHBondContact O-CB 3.2Å; L313-L317 PolarHBondContact O-N 3.38Å
314	L	92.8	Very high	91.9	Very high	44 Å²	44	53.6 Å²	53.6	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-43.5	176.5	-174.7	63.9	0	0	0	111.6	L310 A311 F312 L316 L317 M318 F339 A836	L310-L314 WeakPolarHBondContact O-CB 3.2Å; L310-L314 PolarHBondContact O-N 2.94Å; A311-L314 PolarHBondContact O-N 3.2Å; F312-L314 VanDerWaalsContact C-N 3.34Å; F312-L314 PolarHBondContact O-N 3Å; L314-L316 VanDerWaalsContact C-N 3.32Å; L314-L316 PolarHBondContact O-N 3.46Å; L314-L317 PolarHBondContact O-N 3.37Å; L314-M318 HydrophobicContact CD1-CE 3.9Å; L314-M318 HydrophobicContact CG-CE 4.47Å; L314-M318 WeakPolarHBondContact O-CG 3.47Å; L314-M318 PolarHBondContact O-N 2.95Å; L314-F339 HydrophobicContact CB-CD2 4.29Å; L314-F339 HydrophobicContact CB-CE2 4.44Å; L314-F339 HydrophobicContact CD2-CD1 3.95Å; L314-F339 HydrophobicContact CD2-CD2 3.92Å; L314-F339 HydrophobicContact CD2-CE1 4Å; L314-F339 HydrophobicContact CD2-CE2 3.96Å; L314-F339 HydrophobicContact CD2-CG 3.92Å; L314-F339 HydrophobicContact CD2-CZ 4.01Å; L314-F339 HydrophobicContact CG-CD2 3.93Å; L314-F339 HydrophobicContact CG-CE2 3.73Å; L314-F339 HydrophobicContact CG-CG 4.45Å; L314-F339 HydrophobicContact CG-CZ 4.07Å; L314-A836 HydrophobicContact CD2-CB 4.3Å
315	A	93.9	Very high	91.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-40.9	174.8	0	0	0	0	0	111.8	A311 F312 M318 V319 F332 F335 L336 F339	A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.33Å; F312-A315 PolarHBondContact O-N 3.18Å; A315-M318 PolarHBondContact O-N 3.44Å; A315-V319 WeakPolarHBondContact O-CG2 3.25Å; A315-V319 PolarHBondContact O-N 2.94Å; A315-F332 HydrophobicContact CB-CD2 4.05Å; A315-F332 HydrophobicContact CB-CE2 3.73Å; A315-F332 HydrophobicContact CB-CZ 4.43Å; A315-F335 HydrophobicContact CB-CB 3.81Å; A315-L336 HydrophobicContact CB-CB 4.24Å; A315-F339 HydrophobicContact CB-CD2 4.18Å
316	L	94.1	Very high	91.2	Very high	71 Å²	71	57.5 Å²	57.5	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-43.3	176.7	-173.2	66.8	0	0	0	111.4	F312 L313 L314 M318 V319 G320 F332	F312-L316 PolarHBondContact O-N 3.25Å; L313-L316 PolarHBondContact O-N 2.79Å; L314-L316 VanDerWaalsContact C-N 3.32Å; L314-L316 PolarHBondContact O-N 3.46Å; L316-M318 PolarHBondContact O-N 3.18Å; L316-V319 PolarHBondContact O-N 2.86Å; L316-G320 PolarHBondContact O-N 3.17Å; L316-F332 HydrophobicContact CB-CD2 4.49Å; L316-F332 HydrophobicContact CB-CE2 4.03Å; L316-F332 HydrophobicContact CD1-CD2 4.46Å; L316-F332 HydrophobicContact CD1-CE2 4.45Å
317	L	94	Very high	91	Very high	96 Å²	96	58.7 Å²	58.7	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-46	176.5	179.8	65.8	0	0	0	111.3	L313 L314 V319 G320 L321	L313-L317 WeakPolarHBondContact O-CB 3.2Å; L313-L317 PolarHBondContact O-N 3.38Å; L314-L317 PolarHBondContact O-N 3.37Å; L317-V319 VanDerWaalsContact C-N 3.34Å; L317-V319 PolarHBondContact O-N 2.95Å; L317-G320 PolarHBondContact O-N 3.36Å; L317-L321 HydrophobicContact CD1-CD1 4.29Å; L317-L321 HydrophobicContact CD1-CG 4.28Å; L317-L321 HydrophobicContact CG-CD1 4.12Å; L317-L321 HydrophobicContact CG-CG 4.47Å; L317-L321 WeakPolarHBondContact O-CG 3.25Å; L317-L321 PolarHBondContact O-N 3.27Å
318	M	92.6	Very high	90.9	Very high	6 Å²	6	64 Å²	64	3%	0.03	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-40.1	179	-67.7	-60.3	171.5	0	0	112.7	L314 A315 L316 K322 F335 F339 A836 C840 F844	L314-M318 HydrophobicContact CD1-CE 3.9Å; L314-M318 HydrophobicContact CG-CE 4.47Å; L314-M318 WeakPolarHBondContact O-CG 3.47Å; L314-M318 PolarHBondContact O-N 2.95Å; A315-M318 PolarHBondContact O-N 3.44Å; L316-M318 PolarHBondContact O-N 3.18Å; M318-K322 WeakPolarHBondContact O-CB 3.29Å; M318-K322 PolarHBondContact O-N 2.69Å; M318-K322 VanDerWaalsContact O-N 3.08Å; M318-F335 HydrophobicContact CB-CD1 4.13Å; M318-F335 HydrophobicContact CB-CD2 3.92Å; M318-F335 HydrophobicContact CB-CE1 4.08Å; M318-F335 HydrophobicContact CB-CE2 3.84Å; M318-F335 HydrophobicContact CB-CG 4.05Å; M318-F335 HydrophobicContact CB-CZ 3.93Å; M318-F335 HydrophobicContact CG-CD1 4.35Å; M318-F335 HydrophobicContact CG-CE1 4.35Å; M318-F339 HydrophobicContact CE-CZ 4.15Å; M318-F339 HydrophobicContact CG-CE2 3.81Å; M318-F339 HydrophobicContact CG-CZ 3.89Å; M318-A836 HydrophobicContact CE-CB 3.86Å; M318-C840 VanDerWaalsContact CE-SG 3.6Å; M318-F844 HydrophobicContact SD-CD1 3.86Å; M318-F844 HydrophobicContact SD-CE1 4.06Å
319	V	93.1	Very high	90.8	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-69.8	-37	175.9	177.3	0	0	0	0	111.7	A315 L316 L317 K322 G323 F324 W328 T331 F332 F335	A315-V319 WeakPolarHBondContact O-CG2 3.25Å; A315-V319 PolarHBondContact O-N 2.94Å; L316-V319 PolarHBondContact O-N 2.86Å; L317-V319 VanDerWaalsContact C-N 3.34Å; L317-V319 PolarHBondContact O-N 2.95Å; V319-K322 PolarHBondContact O-N 2.78Å; V319-G323 PolarHBondContact O-N 3.06Å; V319-F324 HydrophobicContact CG1-CD1 3.69Å; V319-F324 HydrophobicContact CG1-CE1 3.91Å; V319-F324 HydrophobicContact CG1-CG 4.47Å; V319-F324 PolarHBondContact O-N 3.04Å; V319-W328 HydrophobicContact CG1-CB 4.05Å; V319-T331 HydrophobicContact CG2-CG2 4.25Å; V319-F332 HydrophobicContact CG2-CB 3.93Å; V319-F332 HydrophobicContact CG2-CD2 4.46Å; V319-F335 HydrophobicContact CG2-CD2 3.76Å; V319-F335 HydrophobicContact CG2-CE2 4.26Å
320	G	92.3	Very high	90.7	Very high	29 Å²	29	61.2 Å²	61.2	30%	0.299	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-47.9	174.8	0	0	0	0	0	112.2	L316 L317 K322 G323	L316-G320 PolarHBondContact O-N 3.17Å; L317-G320 PolarHBondContact O-N 3.36Å; G320-K322 VanDerWaalsContact C-N 3.29Å; G320-K322 PolarHBondContact O-N 3.26Å; G320-G323 WeakPolarHBondContact O-CA 3.19Å; G320-G323 PolarHBondContact O-N 2.88Å
321	L	91.8	Very high	90.6	Very high	97 Å²	97	59 Å²	59	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-31.3	177.1	-68.2	175.2	0	0	0	112.8	L317 G323 F844	L317-L321 HydrophobicContact CD1-CD1 4.29Å; L317-L321 HydrophobicContact CD1-CG 4.28Å; L317-L321 HydrophobicContact CG-CD1 4.12Å; L317-L321 HydrophobicContact CG-CG 4.47Å; L317-L321 WeakPolarHBondContact O-CG 3.25Å; L317-L321 PolarHBondContact O-N 3.27Å; L321-G323 PolarHBondContact O-N 3.03Å; L321-F844 HydrophobicContact CB-CD1 4.13Å; L321-F844 HydrophobicContact CB-CE1 3.66Å; L321-F844 HydrophobicContact CB-CE2 4.09Å; L321-F844 HydrophobicContact CB-CZ 3.64Å; L321-F844 HydrophobicContact CD1-CE1 3.67Å; L321-F844 HydrophobicContact CD1-CZ 3.93Å; L321-F844 HydrophobicContact CG-CE1 4.32Å; L321-F844 HydrophobicContact CG-CZ 4.36Å
322	K	88	Confident	90.6	Very high	78 Å²	78	59.6 Å²	59.6	34%	0.339	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.6	171.1	-171.2	175.8	178.1	177.8	0	113.3	M318 V319 G320 T331 F844	M318-K322 WeakPolarHBondContact O-CB 3.29Å; M318-K322 PolarHBondContact O-N 2.69Å; M318-K322 VanDerWaalsContact O-N 3.08Å; V319-K322 PolarHBondContact O-N 2.78Å; G320-K322 VanDerWaalsContact C-N 3.29Å; G320-K322 PolarHBondContact O-N 3.26Å; K322-T331 HydrophobicContact CD-CG2 4.28Å; K322-F844 HydrophobicContact CB-CB 3.91Å; K322-F844 HydrophobicContact CB-CG 4.45Å; K322-F844 HydrophobicContact CD-CB 4.38Å; K322-F844 HydrophobicContact CG-CB 4.24Å
323	G	87.8	Confident	90.5	Very high	45 Å²	45	60.4 Å²	60.4	46%	0.464	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	24.4	177.5	0	0	0	0	0	115.5	V319 G320 L321 V325	V319-G323 PolarHBondContact O-N 3.06Å; G320-G323 WeakPolarHBondContact O-CA 3.19Å; G320-G323 PolarHBondContact O-N 2.88Å; L321-G323 PolarHBondContact O-N 3.03Å; G323-V325 WeakPolarHBondContact O-CG2 3.48Å; G323-V325 PolarHBondContact O-N 2.75Å
324	F	88.1	Confident	90.2	Very high	109 Å²	109	59.8 Å²	59.8	48%	0.478	33%	0.333	S	S	.	.	S	Bend	trans	52.4	26.2	178.1	-62.1	-81.8	0	0	0	115.5	V319 W328	V319-F324 HydrophobicContact CG1-CD1 3.69Å; V319-F324 HydrophobicContact CG1-CE1 3.91Å; V319-F324 HydrophobicContact CG1-CG 4.47Å; V319-F324 PolarHBondContact O-N 3.04Å; F324-W328 HydrophobicContact CB-CB 4.48Å; F324-W328 HydrophobicContact CD1-CB 4.32Å; F324-W328 HydrophobicContact CD1-CD2 4.35Å; F324-W328 HydrophobicContact CD1-CE3 4.47Å; F324-W328 HydrophobicContact CD1-CG 4.29Å
325	V	82.5	Confident	90.2	Very high	104 Å²	104	57.7 Å²	57.7	63%	0.63	32%	0.322	S	S	*	.			trans	-77.2	137	-176.3	-171.6	0	0	0	0	111.3	G323	G323-V325 WeakPolarHBondContact O-CG2 3.48Å; G323-V325 PolarHBondContact O-N 2.75Å
326	G	82.1	Confident	90.1	Very high	63 Å²	63	58.4 Å²	58.4	65%	0.649	33%	0.326	S	S	*	.	S	Bend	trans	78.6	-147.4	176.6	0	0	0	0	0	113.8	W328	G326-W328 PolarHBondContact O-N 3.37Å
327	V	88.1	Confident	89.9	Confident	102 Å²	102	55.2 Å²	55.2	62%	0.618	31%	0.31	S	S	*	.	S	Bend	trans	-79.3	71.5	177.7	-155.7	0	0	0	0	109.4	P329 V330 T331	V327-P329 VanDerWaalsContact C-N 3.31Å; V327-V330 HydrophobicContact CB-CB 4.3Å; V327-V330 HydrophobicContact CB-CG2 4.24Å; V327-V330 HydrophobicContact CG1-CB 4.18Å; V327-V330 HydrophobicContact CG1-CG2 3.63Å; V327-V330 WeakPolarHBondContact O-CB 3.22Å; V327-V330 PolarHBondContact O-N 3.13Å; V327-V330 VanDerWaalsContact O-N 3.08Å; V327-T331 PolarHBondContact O-N 3.09Å
328	W	88.7	Confident	89.7	Confident	112 Å²	112	51 Å²	51	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-55.1	-33.8	-174.8	71.5	-97	0	0	0	114.2	V319 F324 G326 V330 T331 F332	V319-W328 HydrophobicContact CG1-CB 4.05Å; F324-W328 HydrophobicContact CB-CB 4.48Å; F324-W328 HydrophobicContact CD1-CB 4.32Å; F324-W328 HydrophobicContact CD1-CD2 4.35Å; F324-W328 HydrophobicContact CD1-CE3 4.47Å; F324-W328 HydrophobicContact CD1-CG 4.29Å; G326-W328 PolarHBondContact O-N 3.37Å; W328-V330 VanDerWaalsContact C-N 3.34Å; W328-V330 PolarHBondContact O-N 2.98Å; W328-T331 PolarHBondContact O-N 3.5Å; W328-F332 WeakPolarHBondContact O-CB 3.33Å; W328-F332 PolarHBondContact O-N 2.96Å
329	P	91	Very high	89.6	Confident	50 Å²	50	50.7 Å²	50.7	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-37.1	177.2	-20.9	34.5	0	0	0	112.3	V327 F332 F333	V327-P329 VanDerWaalsContact C-N 3.31Å; P329-F332 WeakPolarHBondContact O-CB 3.49Å; P329-F332 PolarHBondContact O-N 3.28Å; P329-F333 VanDerWaalsContact O-CD2 3.32Å; P329-F333 WeakPolarHBondContact O-CD2 3.43Å; P329-F333 PolarHBondContact O-N 2.98Å
330	V	90.3	Very high	89.3	Confident	31 Å²	31	50.9 Å²	50.9	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-42.1	176.4	173.4	0	0	0	0	110.1	L97 V327 W328 F332 F333 R334	L97-V330 HydrophobicContact CD2-CG1 4.23Å; V327-V330 HydrophobicContact CB-CB 4.3Å; V327-V330 HydrophobicContact CB-CG2 4.24Å; V327-V330 HydrophobicContact CG1-CB 4.18Å; V327-V330 HydrophobicContact CG1-CG2 3.63Å; V327-V330 WeakPolarHBondContact O-CB 3.22Å; V327-V330 PolarHBondContact O-N 3.13Å; V327-V330 VanDerWaalsContact O-N 3.08Å; W328-V330 VanDerWaalsContact C-N 3.34Å; W328-V330 PolarHBondContact O-N 2.98Å; V330-F332 VanDerWaalsContact C-N 3.35Å; V330-F333 PolarHBondContact O-N 3.27Å; V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 WeakPolarHBondContact O-CG 3.29Å; V330-R334 PolarHBondContact O-N 2.96Å
331	T	89.6	Confident	89	Confident	19 Å²	19	52.5 Å²	52.5	12%	0.117	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-40	176.3	-54.4	0	0	0	0	111.3	V319 K322 V327 W328 R334 F335	V319-T331 HydrophobicContact CG2-CG2 4.25Å; K322-T331 HydrophobicContact CD-CG2 4.28Å; V327-T331 PolarHBondContact O-N 3.09Å; W328-T331 PolarHBondContact O-N 3.5Å; T331-R334 WeakPolarHBondContact O-CB 3.46Å; T331-R334 PolarHBondContact O-N 2.78Å; T331-F335 HydrophobicContact CG2-CD2 3.92Å; T331-F335 HydrophobicContact CG2-CE2 3.7Å; T331-F335 WeakPolarHBondContact O-CD2 3.38Å; T331-F335 PolarHBondContact O-N 3.35Å
332	F	92.5	Very high	88.9	Confident	15 Å²	15	48.1 Å²	48.1	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-51.7	174.4	172	-99.1	0	0	0	111.9	F312 A315 L316 V319 W328 P329 V330 R334 F335 L336	F312-F332 HydrophobicContact CD1-CZ 4.44Å; F312-F332 HydrophobicContact CD2-CE1 4.35Å; F312-F332 AromaticContact CD2-CZ 3.62Å; F312-F332 HydrophobicContact CD2-CZ 3.62Å; F312-F332 HydrophobicContact CE1-CZ 4.23Å; F312-F332 AromaticContact CE2-CE1 3.88Å; F312-F332 HydrophobicContact CE2-CE1 3.88Å; F312-F332 HydrophobicContact CE2-CE2 4.45Å; F312-F332 AromaticContact CE2-CZ 3.38Å; F312-F332 HydrophobicContact CE2-CZ 3.38Å; F312-F332 HydrophobicContact CG-CZ 4.15Å; F312-F332 HydrophobicContact CZ-CE1 4.37Å; F312-F332 HydrophobicContact CZ-CE2 4.45Å; F312-F332 AromaticContact CZ-CZ 3.7Å; F312-F332 HydrophobicContact CZ-CZ 3.7Å; A315-F332 HydrophobicContact CB-CD2 4.05Å; A315-F332 HydrophobicContact CB-CE2 3.73Å; A315-F332 HydrophobicContact CB-CZ 4.43Å; L316-F332 HydrophobicContact CB-CD2 4.49Å; L316-F332 HydrophobicContact CB-CE2 4.03Å; L316-F332 HydrophobicContact CD1-CD2 4.46Å; L316-F332 HydrophobicContact CD1-CE2 4.45Å; V319-F332 HydrophobicContact CG2-CB 3.93Å; V319-F332 HydrophobicContact CG2-CD2 4.46Å; W328-F332 WeakPolarHBondContact O-CB 3.33Å; W328-F332 PolarHBondContact O-N 2.96Å; P329-F332 WeakPolarHBondContact O-CB 3.49Å; P329-F332 PolarHBondContact O-N 3.28Å; V330-F332 VanDerWaalsContact C-N 3.35Å; F332-R334 VanDerWaalsContact C-N 3.27Å; F332-R334 PolarHBondContact O-N 2.93Å; F332-F335 PolarHBondContact O-N 2.91Å; F332-F335 VanDerWaalsContact O-N 3.16Å; F332-L336 HydrophobicContact CE1-CD2 4.48Å; F332-L336 PolarHBondContact O-N 3.19Å
333	F	91.3	Very high	88.8	Confident	98 Å²	98	44.5 Å²	44.5	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-37.9	176.7	-88.4	-77.2	0	0	0	111.4	L97 P329 V330 F335 L336 L337	L97-F333 HydrophobicContact CD2-CB 3.72Å; L97-F333 HydrophobicContact CD2-CG 4.47Å; P329-F333 VanDerWaalsContact O-CD2 3.32Å; P329-F333 WeakPolarHBondContact O-CD2 3.43Å; P329-F333 PolarHBondContact O-N 2.98Å; V330-F333 PolarHBondContact O-N 3.27Å; F333-F335 PolarHBondContact O-N 2.85Å; F333-L336 HydrophobicContact CD1-CD2 4.29Å; F333-L336 HydrophobicContact CE1-CD2 4.4Å; F333-L336 WeakPolarHBondContact O-CB 3.47Å; F333-L336 PolarHBondContact O-N 2.81Å; F333-L337 WeakPolarHBondContact O-CB 3.47Å; F333-L337 WeakPolarHBondContact O-CG 3.45Å; F333-L337 PolarHBondContact O-N 3.39Å
334	R	90.3	Very high	88.5	Confident	83 Å²	83	42.8 Å²	42.8	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-42.7	174	-79.6	-179	152.5	-174.4	-8.6	112.9	Q96 R98 I99 V330 T331 F332 L337 L338	Q96-R334 PolarHBondContact O-NE 2.91Å; R98-R334 PolarHBondContact O-NH2 3.35Å; I99-R334 HydrophobicContact CD1-CB 4.23Å; I99-R334 HydrophobicContact CD1-CG 4.32Å; I99-R334 VanDerWaalsContact CD1-O 3.26Å; I99-R334 WeakPolarHBondContact CD1-O 3.5Å; I99-R334 HydrophobicContact CG1-CG 4.24Å; V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 WeakPolarHBondContact O-CG 3.29Å; V330-R334 PolarHBondContact O-N 2.96Å; T331-R334 WeakPolarHBondContact O-CB 3.46Å; T331-R334 PolarHBondContact O-N 2.78Å; F332-R334 VanDerWaalsContact C-N 3.27Å; F332-R334 PolarHBondContact O-N 2.93Å; R334-L337 PolarHBondContact O-N 2.99Å; R334-L338 WeakPolarHBondContact O-CG 3.09Å; R334-L338 PolarHBondContact O-N 3.43Å
335	F	91.9	Very high	88	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-41.3	173.5	-81.3	-59.8	0	0	0	112.7	A315 M318 V319 T331 F332 F333 L337 L338 F339 F844	A315-F335 HydrophobicContact CB-CB 3.81Å; M318-F335 HydrophobicContact CB-CD1 4.13Å; M318-F335 HydrophobicContact CB-CD2 3.92Å; M318-F335 HydrophobicContact CB-CE1 4.08Å; M318-F335 HydrophobicContact CB-CE2 3.84Å; M318-F335 HydrophobicContact CB-CG 4.05Å; M318-F335 HydrophobicContact CB-CZ 3.93Å; M318-F335 HydrophobicContact CG-CD1 4.35Å; M318-F335 HydrophobicContact CG-CE1 4.35Å; V319-F335 HydrophobicContact CG2-CD2 3.76Å; V319-F335 HydrophobicContact CG2-CE2 4.26Å; T331-F335 HydrophobicContact CG2-CD2 3.92Å; T331-F335 HydrophobicContact CG2-CE2 3.7Å; T331-F335 WeakPolarHBondContact O-CD2 3.38Å; T331-F335 PolarHBondContact O-N 3.35Å; F332-F335 PolarHBondContact O-N 2.91Å; F332-F335 VanDerWaalsContact O-N 3.16Å; F333-F335 PolarHBondContact O-N 2.85Å; F335-L337 PolarHBondContact O-N 2.88Å; F335-L338 HydrophobicContact CD1-CD1 4.18Å; F335-L338 PolarHBondContact O-N 3.05Å; F335-L338 VanDerWaalsContact O-N 3.15Å; F335-F339 HydrophobicContact CB-CD2 4.34Å; F335-F339 HydrophobicContact CB-CE2 4.08Å; F335-F339 AromaticContact CD1-CE2 3.98Å; F335-F339 HydrophobicContact CD1-CE2 3.98Å; F335-F339 HydrophobicContact CD1-CZ 4.13Å; F335-F339 HydrophobicContact CG-CE2 4.38Å; F335-F339 WeakPolarHBondContact O-CD2 3.19Å; F335-F339 WeakPolarHBondContact O-CG 3.19Å; F335-F339 PolarHBondContact O-N 2.88Å; F335-F844 WeakPolarHBondContact CZ-O 3.25Å
336	L	91.9	Very high	88	Confident	16 Å²	16	35.2 Å²	35.2	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-39.1	175.2	-173.6	66.8	0	0	0	111.3	F312 A315 F332 F333 S340	F312-L336 HydrophobicContact CB-CD1 4.43Å; A315-L336 HydrophobicContact CB-CB 4.24Å; F332-L336 HydrophobicContact CE1-CD2 4.48Å; F332-L336 PolarHBondContact O-N 3.19Å; F333-L336 HydrophobicContact CD1-CD2 4.29Å; F333-L336 HydrophobicContact CE1-CD2 4.4Å; F333-L336 WeakPolarHBondContact O-CB 3.47Å; F333-L336 PolarHBondContact O-N 2.81Å; L336-S340 PolarHBondContact O-N 3.48Å
337	L	89.7	Confident	88.2	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-41.4	175.4	-68.3	174	0	0	0	112.6	M88 S91 Q92 L97 I99 F333 R334 F335 S340	M88-L337 HydrophobicContact CE-CB 4.29Å; M88-L337 HydrophobicContact CE-CD2 3.05Å; M88-L337 HydrophobicContact CE-CG 4.22Å; M88-L337 HydrophobicContact SD-CD2 3.56Å; M88-L337 VanDerWaalsContact SD-CD2 3.56Å; S91-L337 WeakPolarHBondContact OG-CD2 3.16Å; Q92-L337 VanDerWaalsContact NE2-CD1 3.31Å; Q92-L337 VanDerWaalsContact NE2-CD2 3.27Å; L97-L337 HydrophobicContact CB-CD1 4.26Å; L97-L337 WeakPolarHBondContact O-CD1 3.31Å; I99-L337 HydrophobicContact CD1-CB 3.36Å; I99-L337 HydrophobicContact CD1-CD1 3.69Å; I99-L337 HydrophobicContact CD1-CG 4.16Å; I99-L337 HydrophobicContact CG1-CD1 4.3Å; F333-L337 WeakPolarHBondContact O-CB 3.47Å; F333-L337 WeakPolarHBondContact O-CG 3.45Å; F333-L337 PolarHBondContact O-N 3.39Å; R334-L337 PolarHBondContact O-N 2.99Å; F335-L337 PolarHBondContact O-N 2.88Å; L337-S340 WeakPolarHBondContact O-CB 2.93Å; L337-S340 PolarHBondContact O-N 2.83Å; L337-S340 PolarHBondContact O-OG 2.97Å
338	L	89.2	Confident	87.9	Confident	6 Å²	6	29 Å²	29	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-41.6	175.2	-74.8	168.9	0	0	0	111.8	I99 R334 F335 S340 Y341 Q835	I99-L338 HydrophobicContact CD1-CD2 4.43Å; I99-L338 HydrophobicContact CD1-CG 4.07Å; I99-L338 HydrophobicContact CG2-CD2 3.95Å; R334-L338 WeakPolarHBondContact O-CG 3.09Å; R334-L338 PolarHBondContact O-N 3.43Å; F335-L338 HydrophobicContact CD1-CD1 4.18Å; F335-L338 PolarHBondContact O-N 3.05Å; F335-L338 VanDerWaalsContact O-N 3.15Å; L338-S340 VanDerWaalsContact C-N 3.29Å; L338-S340 PolarHBondContact O-N 2.97Å; L338-Y341 WeakPolarHBondContact O-CD2 3.4Å; L338-Q835 HydrophobicContact CB-CG 4.26Å
339	F	91.3	Very high	87.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-83.8	-1	178.7	-57.4	-42.7	0	0	0	113.6	A311 L314 A315 M318 F335 Y341 V342 S832 Q835 A836	A311-F339 HydrophobicContact CB-CB 4.32Å; L314-F339 HydrophobicContact CB-CD2 4.29Å; L314-F339 HydrophobicContact CB-CE2 4.44Å; L314-F339 HydrophobicContact CD2-CD1 3.95Å; L314-F339 HydrophobicContact CD2-CD2 3.92Å; L314-F339 HydrophobicContact CD2-CE1 4Å; L314-F339 HydrophobicContact CD2-CE2 3.96Å; L314-F339 HydrophobicContact CD2-CG 3.92Å; L314-F339 HydrophobicContact CD2-CZ 4.01Å; L314-F339 HydrophobicContact CG-CD2 3.93Å; L314-F339 HydrophobicContact CG-CE2 3.73Å; L314-F339 HydrophobicContact CG-CG 4.45Å; L314-F339 HydrophobicContact CG-CZ 4.07Å; A315-F339 HydrophobicContact CB-CD2 4.18Å; M318-F339 HydrophobicContact CE-CZ 4.15Å; M318-F339 HydrophobicContact CG-CE2 3.81Å; M318-F339 HydrophobicContact CG-CZ 3.89Å; F335-F339 HydrophobicContact CB-CD2 4.34Å; F335-F339 HydrophobicContact CB-CE2 4.08Å; F335-F339 AromaticContact CD1-CE2 3.98Å; F335-F339 HydrophobicContact CD1-CE2 3.98Å; F335-F339 HydrophobicContact CD1-CZ 4.13Å; F335-F339 HydrophobicContact CG-CE2 4.38Å; F335-F339 WeakPolarHBondContact O-CD2 3.19Å; F335-F339 WeakPolarHBondContact O-CG 3.19Å; F335-F339 PolarHBondContact O-N 2.88Å; F339-Y341 PolarHBondContact O-N 3.1Å; F339-Y341 VanDerWaalsContact O-N 3.14Å; F339-V342 VanDerWaalsContact O-CB 3.23Å; F339-V342 WeakPolarHBondContact O-CB 3.28Å; F339-V342 WeakPolarHBondContact O-CG2 3.37Å; F339-V342 PolarHBondContact O-N 2.92Å; F339-S832 WeakPolarHBondContact CD1-OG 3.27Å; F339-Q835 HydrophobicContact CE1-CG 4.2Å; F339-A836 HydrophobicContact CE1-CB 3.77Å; F339-A836 HydrophobicContact CZ-CB 4.11Å
340	S	87.2	Confident	87.4	Confident	8 Å²	8	22.3 Å²	22.3	6%	0.056	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.6	177.5	68.7	0	0	0	0	113.3	M88 L336 L337 L338 V342 I343	M88-S340 VanDerWaalsContact CE-OG 3.26Å; M88-S340 WeakPolarHBondContact CE-OG 3.31Å; L336-S340 PolarHBondContact O-N 3.48Å; L337-S340 WeakPolarHBondContact O-CB 2.93Å; L337-S340 PolarHBondContact O-N 2.83Å; L337-S340 PolarHBondContact O-OG 2.97Å; L338-S340 VanDerWaalsContact C-N 3.29Å; L338-S340 PolarHBondContact O-N 2.97Å; S340-V342 PolarHBondContact O-N 2.83Å; S340-I343 PolarHBondContact O-N 3.4Å
341	Y	85.2	Confident	87.4	Confident	63 Å²	63	21 Å²	21	25%	0.247	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-64.5	-15.3	174.5	-66.8	-71.8	0	0	0	114	L338 F339 I343 G828 M855	L338-Y341 WeakPolarHBondContact O-CD2 3.4Å; F339-Y341 PolarHBondContact O-N 3.1Å; F339-Y341 VanDerWaalsContact O-N 3.14Å; Y341-I343 PolarHBondContact O-N 2.88Å; Y341-G828 CarbonylContact O-C 3.59Å; Y341-G828 VanDerWaalsContact O-CA 3.23Å; Y341-G828 WeakPolarHBondContact O-CA 3.45Å; Y341-M855 HydrophobicContact CD1-CE 3.56Å; Y341-M855 HydrophobicContact CD2-CE 3.57Å; Y341-M855 HydrophobicContact CE1-CB 4.22Å; Y341-M855 HydrophobicContact CE1-CE 3.68Å; Y341-M855 HydrophobicContact CE2-CE 3.71Å; Y341-M855 HydrophobicContact CG-CE 3.51Å
342	V	89.6	Confident	87.1	Confident	5 Å²	5	20.5 Å²	20.5	3%	0.03	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-53.3	-34.1	167.1	170.3	0	0	0	0	111.2	L307 F339 S340 P344 L829 S832	L307-V342 HydrophobicContact CB-CG1 3.98Å; L307-V342 HydrophobicContact CD2-CG1 3.56Å; L307-V342 HydrophobicContact CG-CG1 4.29Å; F339-V342 VanDerWaalsContact O-CB 3.23Å; F339-V342 WeakPolarHBondContact O-CB 3.28Å; F339-V342 WeakPolarHBondContact O-CG2 3.37Å; F339-V342 PolarHBondContact O-N 2.92Å; S340-V342 PolarHBondContact O-N 2.83Å; V342-P344 WeakPolarHBondContact O-CD 3.49Å; V342-L829 HydrophobicContact CG1-CD2 3.84Å; V342-S832 WeakPolarHBondContact CG2-OG 3.4Å
343	I	87.2	Confident	86.9	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	11%	0.108	C	C	.	.	S	Bend	trans	-96.9	99.4	176.4	-56.3	178.8	0	0	0	107.5	L81 F84 F85 T304 L307 F308 S340 Y341 L345	L81-I343 HydrophobicContact CD1-CG2 3.29Å; F84-I343 HydrophobicContact CD1-CB 4.5Å; F84-I343 HydrophobicContact CD1-CD1 3.92Å; F84-I343 HydrophobicContact CD1-CG2 4.45Å; F84-I343 HydrophobicContact CE1-CB 4.13Å; F84-I343 HydrophobicContact CE1-CD1 3.71Å; F84-I343 HydrophobicContact CE1-CG1 4.38Å; F84-I343 HydrophobicContact CG-CD1 4.4Å; F84-I343 HydrophobicContact CZ-CD1 4.03Å; F85-I343 HydrophobicContact CE1-CG2 4.37Å; F85-I343 WeakPolarHBondContact CE1-O 3.45Å; F85-I343 HydrophobicContact CE2-CG2 4.45Å; F85-I343 HydrophobicContact CZ-CB 4.38Å; F85-I343 HydrophobicContact CZ-CG2 3.76Å; F85-I343 VanDerWaalsContact CZ-O 3.3Å; F85-I343 WeakPolarHBondContact CZ-O 3.41Å; T304-I343 HydrophobicContact CG2-CD1 4.25Å; T304-I343 HydrophobicContact CG2-CG2 3.76Å; L307-I343 HydrophobicContact CB-CG1 4.05Å; F308-I343 HydrophobicContact CB-CD1 3.82Å; F308-I343 HydrophobicContact CD2-CD1 4.45Å; S340-I343 PolarHBondContact O-N 3.4Å; Y341-I343 PolarHBondContact O-N 2.88Å; I343-L345 PolarHBondContact O-N 2.97Å; I343-L345 VanDerWaalsContact O-N 3.17Å
344	P	81.7	Confident	86.9	Confident	9 Å²	9	18.6 Å²	18.6	6%	0.058	9%	0.088	C	C	.	.			trans	-66	116.5	-175.7	25.9	-37.7	0	0	0	112.2	V342 S346 L347 V824 I825	V342-P344 WeakPolarHBondContact O-CD 3.49Å; P344-S346 PolarHBondContact O-N 3.12Å; P344-L347 HydrophobicContact CB-CB 4.36Å; P344-L347 HydrophobicContact CG-CB 3.89Å; P344-L347 HydrophobicContact CG-CD2 4.33Å; P344-L347 VanDerWaalsContact O-CB 3.27Å; P344-L347 WeakPolarHBondContact O-CB 3.38Å; P344-L347 PolarHBondContact O-N 2.91Å; P344-V824 HydrophobicContact CB-CG1 3.59Å; P344-V824 WeakPolarHBondContact CB-O 3.49Å; P344-V824 HydrophobicContact CG-CG1 3.77Å; P344-V824 WeakPolarHBondContact CG-O 3.32Å; P344-I825 HydrophobicContact CG-CG1 4.22Å
345	L	77.4	Confident	86.9	Confident	38 Å²	38	14.7 Å²	14.7	20%	0.199	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.2	177.4	-179.5	60.4	0	0	0	113.3	F85 P108 V112 I343 L347	F85-L345 HydrophobicContact CB-CD1 4.11Å; F85-L345 HydrophobicContact CD1-CD1 3.82Å; F85-L345 HydrophobicContact CD2-CD1 3.32Å; F85-L345 HydrophobicContact CE1-CB 4Å; F85-L345 HydrophobicContact CE1-CD1 4.02Å; F85-L345 HydrophobicContact CE2-CB 4.21Å; F85-L345 HydrophobicContact CE2-CD1 3.52Å; F85-L345 HydrophobicContact CE2-CG 4.45Å; F85-L345 HydrophobicContact CG-CD1 3.48Å; F85-L345 VanDerWaalsContact CG-CD1 3.48Å; F85-L345 HydrophobicContact CZ-CB 3.81Å; F85-L345 HydrophobicContact CZ-CD1 3.88Å; F85-L345 HydrophobicContact CZ-CG 4.45Å; P108-L345 HydrophobicContact CB-CD2 3.35Å; P108-L345 HydrophobicContact CB-CG 4.24Å; P108-L345 HydrophobicContact CG-CD2 3.39Å; V112-L345 HydrophobicContact CG2-CD1 4.32Å; V112-L345 HydrophobicContact CG2-CG 4.43Å; I343-L345 PolarHBondContact O-N 2.97Å; I343-L345 VanDerWaalsContact O-N 3.17Å; L345-L347 VanDerWaalsContact C-N 3.27Å; L345-L347 PolarHBondContact O-N 2.96Å
346	S	81.6	Confident	86.7	Confident	16 Å²	16	17.7 Å²	17.7	11%	0.112	9%	0.091	C	C	.	.	H	α-helix	trans	-74.5	-9.9	179.2	63.2	0	0	0	0	114.4	P344 R348 V349 N350 R827	P344-S346 PolarHBondContact O-N 3.12Å; S346-R348 VanDerWaalsContact C-N 3.32Å; S346-R348 PolarHBondContact O-N 3.25Å; S346-V349 PolarHBondContact O-N 2.86Å; S346-N350 WeakPolarHBondContact O-CB 3.27Å; S346-N350 PolarHBondContact O-N 3.09Å; S346-N350 PolarHBondContact O-ND2 2.93Å; S346-R827 PolarHBondContact OG-NH2 3.4Å
347	L	86.2	Confident	86.7	Confident	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-45.9	-175.5	177	62.3	0	0	0	111.2	V300 P344 L345 N350 L351 V824 I825	V300-L347 HydrophobicContact CG1-CD2 3.73Å; V300-L347 HydrophobicContact CG1-CG 4.41Å; P344-L347 HydrophobicContact CB-CB 4.36Å; P344-L347 HydrophobicContact CG-CB 3.89Å; P344-L347 HydrophobicContact CG-CD2 4.33Å; P344-L347 VanDerWaalsContact O-CB 3.27Å; P344-L347 WeakPolarHBondContact O-CB 3.38Å; P344-L347 PolarHBondContact O-N 2.91Å; L345-L347 VanDerWaalsContact C-N 3.27Å; L345-L347 PolarHBondContact O-N 2.96Å; L347-N350 PolarHBondContact O-N 3.46Å; L347-L351 HydrophobicContact CD1-CD1 3.91Å; L347-L351 HydrophobicContact CD1-CG 4.23Å; L347-L351 HydrophobicContact CG-CD1 4.07Å; L347-L351 WeakPolarHBondContact O-CB 3.24Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.44Å; L347-L351 PolarHBondContact O-N 2.8Å; L347-V824 HydrophobicContact CB-CG1 3.83Å; L347-V824 HydrophobicContact CD1-CB 3.98Å; L347-V824 HydrophobicContact CD1-CG1 4.02Å; L347-I825 HydrophobicContact CD2-CD1 4.41Å; L347-I825 HydrophobicContact CD2-CG1 4.22Å
348	R	82.4	Confident	87	Confident	33 Å²	33	18.4 Å²	18.4	13%	0.125	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-46.7	179.3	-171.1	64.7	-171.2	-156.8	-5	111.6	L81 V112 S346 N350 L351 D352	L81-R348 HydrophobicContact CD2-CB 3.9Å; V112-R348 HydrophobicContact CG1-CB 4.49Å; S346-R348 VanDerWaalsContact C-N 3.32Å; S346-R348 PolarHBondContact O-N 3.25Å; R348-N350 PolarHBondContact O-N 3.07Å; R348-L351 PolarHBondContact O-N 3.01Å; R348-D352 WeakPolarHBondContact CG-OD2 3.37Å; R348-D352 IonicContact CZ-OD2 3.86Å; R348-D352 IonicContact NE-OD1 2.68Å; R348-D352 IonicContact NE-OD2 3.89Å; R348-D352 PolarHBondContact NE-OD2 3.17Å; R348-D352 WeakPolarHBondContact O-CB 3.4Å; R348-D352 PolarHBondContact O-N 3.47Å
349	V	81.6	Confident	87.1	Confident	18 Å²	18	18.7 Å²	18.7	11%	0.109	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-45	179.8	-178	0	0	0	0	111.5	F111 V112 I115 S346 L351 D352 M353	F111-V349 HydrophobicContact CE1-CG1 4.39Å; V112-V349 HydrophobicContact CB-CG2 3.65Å; V112-V349 HydrophobicContact CG1-CG2 3.61Å; V112-V349 HydrophobicContact CG2-CG2 3.19Å; I115-V349 HydrophobicContact CD1-CG1 4.01Å; S346-V349 PolarHBondContact O-N 2.86Å; V349-L351 PolarHBondContact O-N 3.48Å; V349-D352 PolarHBondContact O-N 3.48Å; V349-M353 VanDerWaalsContact O-CB 3.27Å; V349-M353 WeakPolarHBondContact O-CB 3.41Å; V349-M353 PolarHBondContact O-N 3.02Å
350	N	87.9	Confident	87.1	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-45.1	179.5	-86.3	-74.6	0	0	0	111.3	S346 L347 R348 A354 L820 V824 M864	S346-N350 WeakPolarHBondContact O-CB 3.27Å; S346-N350 PolarHBondContact O-N 3.09Å; S346-N350 PolarHBondContact O-ND2 2.93Å; L347-N350 PolarHBondContact O-N 3.46Å; R348-N350 PolarHBondContact O-N 3.07Å; N350-A354 WeakPolarHBondContact O-CB 3.42Å; N350-A354 PolarHBondContact O-N 3.07Å; N350-L820 HydrophobicContact CB-CD1 4.32Å; N350-L820 HydrophobicContact CB-CD2 4.21Å; N350-L820 HydrophobicContact CB-CG 4.4Å; N350-V824 HydrophobicContact CB-CG2 4.38Å; N350-M864 VanDerWaalsContact OD1-CE 3.26Å; N350-M864 WeakPolarHBondContact OD1-CE 3.28Å; N350-M864 PolarHBondContact OD1-SD 2.62Å
351	L	88.9	Confident	87.4	Confident	4 Å²	4	28 Å²	28	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-44.2	177.1	-69	174.1	0	0	0	111.7	F296 V300 L347 R348 V349 M353 A354 K355 L820	F296-L351 HydrophobicContact CE1-CD1 3.98Å; F296-L351 HydrophobicContact CE1-CD2 3.81Å; F296-L351 HydrophobicContact CE1-CG 4.5Å; F296-L351 HydrophobicContact CZ-CD2 4.04Å; V300-L351 HydrophobicContact CG1-CD1 4.28Å; V300-L351 HydrophobicContact CG2-CD1 4.47Å; L347-L351 HydrophobicContact CD1-CD1 3.91Å; L347-L351 HydrophobicContact CD1-CG 4.23Å; L347-L351 HydrophobicContact CG-CD1 4.07Å; L347-L351 WeakPolarHBondContact O-CB 3.24Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.44Å; L347-L351 PolarHBondContact O-N 2.8Å; R348-L351 PolarHBondContact O-N 3.01Å; V349-L351 PolarHBondContact O-N 3.48Å; L351-M353 PolarHBondContact O-N 3.34Å; L351-A354 PolarHBondContact O-N 3.1Å; L351-K355 VanDerWaalsContact O-CG 3.24Å; L351-K355 WeakPolarHBondContact O-CG 3.49Å; L351-K355 PolarHBondContact O-N 3Å; L351-L820 HydrophobicContact CD2-CD2 4.23Å
352	D	85.2	Confident	87.9	Confident	8 Å²	8	25.1 Å²	25.1	4%	0.043	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-38.3	178.9	-77.2	-34	0	0	0	112.2	R119 R348 V349 V356	R119-D352 IonicContact NH1-OD1 2.63Å; R119-D352 PolarHBondContact NH1-OD1 3.09Å; R119-D352 VanDerWaalsContact NH1-OD1 3.13Å; R348-D352 WeakPolarHBondContact CG-OD2 3.37Å; R348-D352 IonicContact CZ-OD2 3.86Å; R348-D352 IonicContact NE-OD1 2.68Å; R348-D352 IonicContact NE-OD2 3.89Å; R348-D352 PolarHBondContact NE-OD2 3.17Å; R348-D352 WeakPolarHBondContact O-CB 3.4Å; R348-D352 PolarHBondContact O-N 3.47Å; V349-D352 PolarHBondContact O-N 3.48Å; D352-V356 WeakPolarHBondContact O-CG2 3.21Å; D352-V356 PolarHBondContact O-N 3.18Å
353	M	87	Confident	88	Confident	73 Å²	73	27.3 Å²	27.3	36%	0.36	14%	0.14	S	C	.	.	H	α-helix	trans	-69	-40	174	-169.9	66.8	73.8	0	0	111.6	V349 L351 K355 V356 V357 F868	V349-M353 VanDerWaalsContact O-CB 3.27Å; V349-M353 WeakPolarHBondContact O-CB 3.41Å; V349-M353 PolarHBondContact O-N 3.02Å; L351-M353 PolarHBondContact O-N 3.34Å; M353-K355 VanDerWaalsContact C-N 3.31Å; M353-K355 PolarHBondContact O-N 3.25Å; M353-V356 PolarHBondContact O-N 3.04Å; M353-V357 WeakPolarHBondContact O-CG2 3.21Å; M353-V357 PolarHBondContact O-N 2.93Å; M353-F868 HydrophobicContact CB-CE2 3.66Å; M353-F868 HydrophobicContact CB-CZ 3.96Å; M353-F868 HydrophobicContact CG-CE1 4.19Å; M353-F868 HydrophobicContact CG-CE2 3.53Å; M353-F868 HydrophobicContact CG-CZ 3.33Å
354	A	91.7	Very high	88.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-43.7	176	0	0	0	0	0	111	N350 L351 V356 V357 Y358 L820 F868 V871	N350-A354 WeakPolarHBondContact O-CB 3.42Å; N350-A354 PolarHBondContact O-N 3.07Å; L351-A354 PolarHBondContact O-N 3.1Å; A354-V356 VanDerWaalsContact C-N 3.32Å; A354-V356 PolarHBondContact O-N 3.12Å; A354-V357 CarbonylContact O-C 3.53Å; A354-V357 PolarHBondContact O-N 3.29Å; A354-V357 VanDerWaalsContact O-N 3.12Å; A354-Y358 HydrophobicContact CB-CE2 3.89Å; A354-Y358 VanDerWaalsContact O-CD2 3.25Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 3.45Å; A354-L820 HydrophobicContact CB-CD2 3.71Å; A354-F868 HydrophobicContact CB-CE2 4.36Å; A354-V871 HydrophobicContact CB-CG1 4.19Å; A354-V871 HydrophobicContact CB-CG2 3.54Å
355	K	91.1	Very high	88.9	Confident	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-39.9	175.5	-73.7	175.1	-175.2	-172.4	0	113.2	D297 L351 M353 Y358 A359 S376 T377 P379 E380	D297-K355 IonicContact OD1-NZ 3.51Å; D297-K355 PolarHBondContact OD1-NZ 2.79Å; D297-K355 IonicContact OD2-NZ 3.65Å; D297-K355 PolarHBondContact OD2-NZ 3.5Å; L351-K355 VanDerWaalsContact O-CG 3.24Å; L351-K355 WeakPolarHBondContact O-CG 3.49Å; L351-K355 PolarHBondContact O-N 3Å; M353-K355 VanDerWaalsContact C-N 3.31Å; M353-K355 PolarHBondContact O-N 3.25Å; K355-Y358 PolarHBondContact O-N 3.18Å; K355-A359 WeakPolarHBondContact O-CB 3.4Å; K355-A359 PolarHBondContact O-N 2.85Å; K355-S376 WeakPolarHBondContact CB-O 3.49Å; K355-T377 WeakPolarHBondContact CE-O 3.42Å; K355-T377 PolarHBondContact NZ-O 3.14Å; K355-P379 HydrophobicContact CB-CG 4.01Å; K355-P379 HydrophobicContact CG-CG 3.77Å; K355-E380 WeakPolarHBondContact CE-OE1 3.36Å; K355-E380 VanDerWaalsContact CE-OE2 3.3Å; K355-E380 WeakPolarHBondContact CE-OE2 3.47Å; K355-E380 VanDerWaalsContact CG-OE1 3.3Å; K355-E380 WeakPolarHBondContact CG-OE1 3.28Å
356	V	87.8	Confident	89.6	Confident	63 Å²	63	42.5 Å²	42.5	38%	0.382	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-44.2	174.6	173	0	0	0	0	110.7	D352 M353 A354 A359 W360	D352-V356 WeakPolarHBondContact O-CG2 3.21Å; D352-V356 PolarHBondContact O-N 3.18Å; M353-V356 PolarHBondContact O-N 3.04Å; A354-V356 VanDerWaalsContact C-N 3.32Å; A354-V356 PolarHBondContact O-N 3.12Å; V356-A359 PolarHBondContact O-N 3.05Å; V356-W360 WeakPolarHBondContact O-CB 3.45Å; V356-W360 PolarHBondContact O-N 2.96Å
357	V	92	Very high	90.1	Very high	33 Å²	33	47.2 Å²	47.2	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-41.9	176.9	174.1	0	0	0	0	111.3	M353 A354 W360 M361 F868 V871	M353-V357 WeakPolarHBondContact O-CG2 3.21Å; M353-V357 PolarHBondContact O-N 2.93Å; A354-V357 CarbonylContact O-C 3.53Å; A354-V357 PolarHBondContact O-N 3.29Å; A354-V357 VanDerWaalsContact O-N 3.12Å; V357-W360 WeakPolarHBondContact O-CB 3.32Å; V357-W360 PolarHBondContact O-N 2.75Å; V357-M361 HydrophobicContact CG1-CE 3.43Å; V357-M361 VanDerWaalsContact CG1-CE 3.43Å; V357-M361 HydrophobicContact CG1-CG 4.39Å; V357-M361 HydrophobicContact CG1-SD 4.17Å; V357-M361 WeakPolarHBondContact O-CG 3.32Å; V357-M361 PolarHBondContact O-N 2.78Å; V357-F868 HydrophobicContact CG2-CE1 4.12Å; V357-F868 HydrophobicContact CG2-CZ 3.79Å; V357-V871 HydrophobicContact CB-CG1 3.8Å; V357-V871 HydrophobicContact CG1-CG1 3.59Å
358	Y	94.4	Very high	90.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-46	175.3	-58.6	-31.5	0	0	0	111.9	A354 K355 W360 M361 I362 P379 C813 R816 S817 V871	A354-Y358 HydrophobicContact CB-CE2 3.89Å; A354-Y358 VanDerWaalsContact O-CD2 3.25Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 3.45Å; K355-Y358 PolarHBondContact O-N 3.18Å; Y358-W360 PolarHBondContact O-N 3.47Å; Y358-M361 PolarHBondContact O-N 2.86Å; Y358-I362 VanDerWaalsContact O-CG1 3.28Å; Y358-I362 WeakPolarHBondContact O-CG1 3.4Å; Y358-I362 PolarHBondContact O-N 3.05Å; Y358-P379 HydrophobicContact CD2-CB 4.42Å; Y358-P379 HydrophobicContact CD2-CG 4.03Å; Y358-C813 HydrophobicContact CD2-CB 4.15Å; Y358-C813 HydrophobicContact CG-CB 4.44Å; Y358-R816 HydrophobicContact CE1-CB 4.11Å; Y358-R816 WeakPolarHBondContact OH-CB 3.44Å; Y358-S817 WeakPolarHBondContact CE2-OG 3.36Å; Y358-S817 PolarHBondContact OH-N 3.07Å; Y358-V871 HydrophobicContact CD1-CG1 3.99Å; Y358-V871 HydrophobicContact CE1-CB 4.26Å; Y358-V871 HydrophobicContact CE1-CG1 3.4Å
359	A	91.8	Very high	90.6	Very high	11 Å²	11	49.6 Å²	49.6	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-39.5	177.1	0	0	0	0	0	111.8	K355 V356 S363 V373	K355-A359 WeakPolarHBondContact O-CB 3.4Å; K355-A359 PolarHBondContact O-N 2.85Å; V356-A359 PolarHBondContact O-N 3.05Å; A359-S363 WeakPolarHBondContact O-CB 3.43Å; A359-S363 PolarHBondContact O-N 3.22Å; A359-S363 VanDerWaalsContact O-N 3.1Å; A359-S363 PolarHBondContact O-OG 3.32Å; A359-V373 HydrophobicContact CB-CB 3.95Å; A359-V373 HydrophobicContact CB-CG1 3.69Å; A359-V373 HydrophobicContact CB-CG2 4.3Å; A359-V373 WeakPolarHBondContact O-CG2 3.4Å
360	W	91.4	Very high	90.8	Very high	162 Å²	162	51.3 Å²	51.3	61%	0.614	27%	0.265	S	S	*	.	H	α-helix	trans	-66.4	-45.7	174.6	179.2	81	0	0	0	112.4	V356 V357 Y358 I362 S363 K364	V356-W360 WeakPolarHBondContact O-CB 3.45Å; V356-W360 PolarHBondContact O-N 2.96Å; V357-W360 WeakPolarHBondContact O-CB 3.32Å; V357-W360 PolarHBondContact O-N 2.75Å; Y358-W360 PolarHBondContact O-N 3.47Å; W360-I362 PolarHBondContact O-N 2.83Å; W360-S363 PolarHBondContact O-N 3.15Å; W360-K364 HydrophobicContact CZ2-CG 4.28Å; W360-K364 WeakPolarHBondContact O-CB 3.06Å; W360-K364 PolarHBondContact O-N 3.06Å
361	M	93.8	Very high	91	Very high	43 Å²	43	51.3 Å²	51.3	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43.2	177.6	-73.7	178.6	-177.4	0	0	112.3	V357 Y358 S363 K364 D365 M872	V357-M361 HydrophobicContact CG1-CE 3.43Å; V357-M361 VanDerWaalsContact CG1-CE 3.43Å; V357-M361 HydrophobicContact CG1-CG 4.39Å; V357-M361 HydrophobicContact CG1-SD 4.17Å; V357-M361 WeakPolarHBondContact O-CG 3.32Å; V357-M361 PolarHBondContact O-N 2.78Å; Y358-M361 PolarHBondContact O-N 2.86Å; M361-S363 VanDerWaalsContact C-N 3.35Å; M361-K364 PolarHBondContact O-N 3.48Å; M361-D365 PolarHBondContact O-N 3.01Å; M361-M872 HydrophobicContact CE-CG 3.66Å
362	I	94.9	Very high	91	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-44.6	176.5	-67.5	165	0	0	0	110.2	Y358 W360 K364 D365 T371 V373 L382 F794 L805 H809	Y358-I362 VanDerWaalsContact O-CG1 3.28Å; Y358-I362 WeakPolarHBondContact O-CG1 3.4Å; Y358-I362 PolarHBondContact O-N 3.05Å; W360-I362 PolarHBondContact O-N 2.83Å; I362-K364 PolarHBondContact O-N 3.17Å; I362-D365 PolarHBondContact O-N 2.99Å; I362-T371 HydrophobicContact CG2-CG2 3.74Å; I362-V373 HydrophobicContact CB-CG2 3.77Å; I362-V373 HydrophobicContact CD1-CG2 4.39Å; I362-V373 HydrophobicContact CG2-CG2 3.58Å; I362-L382 HydrophobicContact CD1-CD1 4.29Å; I362-F794 HydrophobicContact CD1-CE1 4.17Å; I362-L805 HydrophobicContact CG2-CD1 3.78Å; I362-H809 HydrophobicContact CD1-CB 4.23Å; I362-H809 HydrophobicContact CG1-CB 3.87Å
363	S	92.1	Very high	91.2	Very high	52 Å²	52	55.1 Å²	55.1	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-71.6	-17.2	-178.1	-52.4	0	0	0	0	113.8	A359 W360 M361 T371 V373	A359-S363 WeakPolarHBondContact O-CB 3.43Å; A359-S363 PolarHBondContact O-N 3.22Å; A359-S363 VanDerWaalsContact O-N 3.1Å; A359-S363 PolarHBondContact O-OG 3.32Å; W360-S363 PolarHBondContact O-N 3.15Å; M361-S363 VanDerWaalsContact C-N 3.35Å; S363-T371 WeakPolarHBondContact CA-O 3.4Å; S363-V373 PolarHBondContact OG-N 2.76Å
364	K	92.6	Very high	90.9	Very high	148 Å²	148	54.3 Å²	54.3	64%	0.643	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	2.2	-180	-88.6	-78.4	-177.3	179.9	0	113.6	W360 M361 I362 K366	W360-K364 HydrophobicContact CZ2-CG 4.28Å; W360-K364 WeakPolarHBondContact O-CB 3.06Å; W360-K364 PolarHBondContact O-N 3.06Å; M361-K364 PolarHBondContact O-N 3.48Å; I362-K364 PolarHBondContact O-N 3.17Å; K364-K366 PolarHBondContact O-N 3.43Å
365	D	94.2	Very high	90.3	Very high	26 Å²	26	55 Å²	55	14%	0.139	29%	0.287	C	S	.	.			trans	-68.2	132.2	-179.4	-166.6	-13.3	0	0	0	111.3	M361 I362 E367 I368 R804 H809	M361-D365 PolarHBondContact O-N 3.01Å; I362-D365 PolarHBondContact O-N 2.99Å; D365-E367 PolarHBondContact OD1-N 3.02Å; D365-E367 VanDerWaalsContact OD1-N 3.11Å; D365-I368 HydrophobicContact CB-CD1 4.2Å; D365-I368 HydrophobicContact CB-CG1 3.67Å; D365-R804 IonicContact OD1-CZ 2.61Å; D365-R804 IonicContact OD1-NE 3.13Å; D365-R804 IonicContact OD1-NH2 3.65Å; D365-R804 IonicContact OD2-CZ 3.87Å; D365-R804 IonicContact OD2-NE 3.18Å; D365-R804 PolarHBondContact OD2-NE 3.26Å; D365-R804 IonicContact OD2-NH2 2.74Å; D365-R804 PolarHBondContact OD2-NH2 3.19Å; D365-H809 IonicContact OD2-CD2 3.75Å; D365-H809 IonicContact OD2-CE1 2.92Å; D365-H809 PolarHBondContact OD2-CE1 3.13Å; D365-H809 IonicContact OD2-NE2 3.43Å; D365-H809 PolarHBondContact OD2-NE2 3.42Å
366	K	92.9	Very high	89.7	Confident	194 Å²	194	55.6 Å²	55.6	84%	0.843	29%	0.291	S	S	*	.	S	Bend	trans	-79.3	-26.9	-176.5	-64.7	-177.3	179.8	-178.3	0	112.6	K364	K364-K366 PolarHBondContact O-N 3.43Å
367	E	92.4	Very high	89.5	Confident	115 Å²	115	54.1 Å²	54.1	54%	0.537	28%	0.282	S	S	.	.	S	Bend	trans	-82.7	-15.9	-178.2	-65.1	-164.5	-176.3	0	0	113.2	D365 P369 R804	D365-E367 PolarHBondContact OD1-N 3.02Å; D365-E367 VanDerWaalsContact OD1-N 3.11Å; E367-P369 VanDerWaalsContact C-CD 3.41Å; E367-P369 WeakPolarHBondContact O-CD 3.42Å; E367-R804 VanDerWaalsContact CD-NH1 3.34Å; E367-R804 IonicContact OE1-NH1 2.67Å; E367-R804 IonicContact OE2-CZ 3.43Å; E367-R804 IonicContact OE2-NE 3.52Å; E367-R804 IonicContact OE2-NH1 3.37Å; E367-R804 PolarHBondContact OE2-NH1 3.2Å; E367-R804 IonicContact OE2-NH2 3.36Å
368	I	91.5	Very high	89.4	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-124	64.9	174.8	51.4	172.5	0	0	0	110	D365 T371 S801 R804	D365-I368 HydrophobicContact CB-CD1 4.2Å; D365-I368 HydrophobicContact CB-CG1 3.67Å; I368-T371 WeakPolarHBondContact CB-OG1 3.23Å; I368-T371 HydrophobicContact CD1-CG2 4.33Å; I368-T371 WeakPolarHBondContact O-CB 3.3Å; I368-T371 PolarHBondContact O-N 3.41Å; I368-T371 PolarHBondContact O-OG1 3.06Å; I368-S801 VanDerWaalsContact CG2-CB 3.48Å; I368-S801 WeakPolarHBondContact CG2-OG 2.93Å; I368-R804 HydrophobicContact CG2-CB 4.09Å; I368-R804 HydrophobicContact CG2-CG 4.42Å
369	P	88	Confident	89.3	Confident	81 Å²	81	52.5 Å²	52.5	53%	0.526	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	142.3	-173.1	28.1	-35.5	0	0	0	111.5	E367 T371 T797	E367-P369 VanDerWaalsContact C-CD 3.41Å; E367-P369 WeakPolarHBondContact O-CD 3.42Å; P369-T371 VanDerWaalsContact C-N 3.27Å; P369-T371 PolarHBondContact O-N 2.92Å; P369-T797 WeakPolarHBondContact O-CG2 3.22Å; P369-T797 PolarHBondContact O-OG1 3.23Å
370	G	85	Confident	89.3	Confident	53 Å²	53	52 Å²	52	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	6	-179.4	0	0	0	0	0	114.5	V372	G370-V372 PolarHBondContact O-N 3Å
371	T	91.8	Very high	89.4	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.025	24%	0.24	C	C	.	.			trans	-65.3	128.9	173	-59.9	0	0	0	0	110.6	I362 S363 I368 P369 S795 I796	I362-T371 HydrophobicContact CG2-CG2 3.74Å; S363-T371 WeakPolarHBondContact CA-O 3.4Å; I368-T371 WeakPolarHBondContact CB-OG1 3.23Å; I368-T371 HydrophobicContact CD1-CG2 4.33Å; I368-T371 WeakPolarHBondContact O-CB 3.3Å; I368-T371 PolarHBondContact O-N 3.41Å; I368-T371 PolarHBondContact O-OG1 3.06Å; P369-T371 VanDerWaalsContact C-N 3.27Å; P369-T371 PolarHBondContact O-N 2.92Å; T371-S795 CarbonylContact C-O 3.48Å; T371-S795 VanDerWaalsContact CA-O 3.25Å; T371-S795 WeakPolarHBondContact CA-O 3.14Å; T371-I796 HydrophobicContact CG2-CG2 4.1Å
372	V	89.1	Confident	89.5	Confident	68 Å²	68	42.3 Å²	42.3	41%	0.412	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122	178.2	-178.9	0	0	0	0	109.7	G370 R374 S795	G370-V372 PolarHBondContact O-N 3Å; V372-R374 HydrophobicContact CG1-CG 4.26Å; V372-S795 PolarHBondContact N-O 3.43Å; V372-S795 PolarHBondContact O-N 2.9Å
373	V	89.1	Confident	89.4	Confident	23 Å²	23	42.3 Å²	42.3	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.2	171	-175.2	0	0	0	0	109.2	A359 I362 S363 S375 F794	A359-V373 HydrophobicContact CB-CB 3.95Å; A359-V373 HydrophobicContact CB-CG1 3.69Å; A359-V373 HydrophobicContact CB-CG2 4.3Å; A359-V373 WeakPolarHBondContact O-CG2 3.4Å; I362-V373 HydrophobicContact CB-CG2 3.77Å; I362-V373 HydrophobicContact CD1-CG2 4.39Å; I362-V373 HydrophobicContact CG2-CG2 3.58Å; S363-V373 PolarHBondContact OG-N 2.76Å; V373-S375 WeakPolarHBondContact CG1-O 3.3Å; V373-F794 HydrophobicContact CB-CD1 4.39Å; V373-F794 HydrophobicContact CB-CE1 4.38Å; V373-F794 HydrophobicContact CG1-CD1 4.11Å; V373-F794 HydrophobicContact CG1-CE1 3.72Å; V373-F794 HydrophobicContact CG1-CZ 4.44Å; V373-F794 HydrophobicContact CG2-CD1 3.86Å; V373-F794 HydrophobicContact CG2-CE1 3.9Å
374	R	82.3	Confident	89.5	Confident	57 Å²	57	40.2 Å²	40.2	22%	0.215	21%	0.213	C	C	.	.			trans	-96.6	-31.2	-179.6	-62.5	-163.3	-174.4	-115	10.1	113	V372 S789 L790 A792 D793	V372-R374 HydrophobicContact CG1-CG 4.26Å; R374-S789 WeakPolarHBondContact CD-O 3.41Å; R374-S789 VanDerWaalsContact CZ-O 3.31Å; R374-S789 PolarHBondContact NE-O 3.23Å; R374-S789 PolarHBondContact NH2-O 3.45Å; R374-S789 PolarHBondContact NH2-OG 2.71Å; R374-L790 VanDerWaalsContact CZ-CA 3.45Å; R374-A792 WeakPolarHBondContact CB-O 3.01Å; R374-D793 WeakPolarHBondContact CA-O 2.98Å; R374-D793 PolarHBondContact N-O 3.34Å
375	S	78.8	Confident	89.6	Confident	14 Å²	14	33.1 Å²	33.1	10%	0.098	18%	0.183	C	C	.	.			trans	-112.3	109.6	173.8	-172.9	0	0	0	0	109.2	V373 T377 D793	V373-S375 WeakPolarHBondContact CG1-O 3.3Å; S375-T377 PolarHBondContact O-N 2.81Å; S375-T377 PolarHBondContact OG-OG1 2.86Å; S375-D793 WeakPolarHBondContact CB-OD1 3.49Å; S375-D793 PolarHBondContact N-O 3.19Å; S375-D793 PolarHBondContact OG-OD1 3.29Å
376	S	78.5	Confident	89.6	Confident	14 Å²	14	34 Å²	34	10%	0.098	19%	0.186	C	C	.	.			trans	-80.8	-2.5	-179	55.3	0	0	0	0	112.6	R119 D123 K355 P379	R119-S376 PolarHBondContact NE-OG 3.3Å; R119-S376 VanDerWaalsContact NH2-CB 3.27Å; R119-S376 PolarHBondContact NH2-O 3.29Å; R119-S376 PolarHBondContact NH2-OG 3.45Å; D123-S376 PolarHBondContact OD2-OG 3.2Å; K355-S376 WeakPolarHBondContact CB-O 3.49Å; S376-P379 WeakPolarHBondContact O-CD 3.34Å
377	T	81.9	Confident	89.8	Confident	31 Å²	31	25.1 Å²	25.1	19%	0.19	15%	0.147	C	C	.	.	S	Bend	trans	-86.6	-21.6	-167	56.6	0	0	0	0	115	K292 K355 S375	K292-T377 PolarHBondContact O-OG1 2.86Å; K355-T377 WeakPolarHBondContact CE-O 3.42Å; K355-T377 PolarHBondContact NZ-O 3.14Å; S375-T377 PolarHBondContact O-N 2.81Å; S375-T377 PolarHBondContact OG-OG1 2.86Å
378	I	89.9	Confident	90	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.122	C	C	.	.			trans	-124.5	28	-169.3	61.3	170.9	0	0	0	116.2	K292 E380 E381 D775 V776 D793 F794	K292-I378 HydrophobicContact CB-CD1 4.36Å; K292-I378 HydrophobicContact CB-CG2 4.15Å; K292-I378 HydrophobicContact CD-CD1 4.1Å; I378-E380 PolarHBondContact O-N 2.8Å; I378-E380 VanDerWaalsContact O-N 3.15Å; I378-E381 HydrophobicContact CB-CG 4.05Å; I378-E381 HydrophobicContact CG2-CG 4.45Å; I378-E381 PolarHBondContact O-N 2.78Å; I378-E381 VanDerWaalsContact O-N 3.11Å; I378-D775 WeakPolarHBondContact CD1-O 3.41Å; I378-V776 HydrophobicContact CD1-CG2 4.22Å; I378-D793 HydrophobicContact CD1-CB 4Å; I378-F794 HydrophobicContact CG1-CE2 4.36Å
379	P	92.7	Very high	90.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25.8	-179.3	27.4	-34.7	0	0	0	113.3	K355 Y358 S376 E381 L382 C813	K355-P379 HydrophobicContact CB-CG 4.01Å; K355-P379 HydrophobicContact CG-CG 3.77Å; Y358-P379 HydrophobicContact CD2-CB 4.42Å; Y358-P379 HydrophobicContact CD2-CG 4.03Å; S376-P379 WeakPolarHBondContact O-CD 3.34Å; P379-E381 VanDerWaalsContact C-N 3.32Å; P379-E381 PolarHBondContact O-N 3.31Å; P379-L382 WeakPolarHBondContact O-CB 3.33Å; P379-C813 HydrophobicContact CB-CB 4.31Å; P379-C813 VanDerWaalsContact O-CB 3.31Å; P379-C813 WeakPolarHBondContact O-CB 3.28Å
380	E	92.9	Very high	90.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-69.7	-27	177.6	-59.6	89.7	164	0	0	113.7	F296 K355 I378 L382 G383 S817	F296-E380 HydrophobicContact CB-CB 4.14Å; F296-E380 HydrophobicContact CD1-CG 4.25Å; F296-E380 HydrophobicContact CG-CB 4.33Å; F296-E380 HydrophobicContact CG-CG 4.34Å; K355-E380 WeakPolarHBondContact CE-OE1 3.36Å; K355-E380 VanDerWaalsContact CE-OE2 3.3Å; K355-E380 WeakPolarHBondContact CE-OE2 3.47Å; K355-E380 VanDerWaalsContact CG-OE1 3.3Å; K355-E380 WeakPolarHBondContact CG-OE1 3.28Å; I378-E380 PolarHBondContact O-N 2.8Å; I378-E380 VanDerWaalsContact O-N 3.15Å; E380-L382 PolarHBondContact O-N 2.81Å; E380-G383 PolarHBondContact O-N 3.26Å; E380-G383 VanDerWaalsContact O-N 3.15Å; E380-S817 WeakPolarHBondContact CG-OG 3.48Å; E380-S817 PolarHBondContact OE1-OG 3.31Å
381	E	93.2	Very high	90.9	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-68.4	-25.5	-178.3	-59.2	-50.3	148.2	0	0	111.8	G294 L295 F296 I378 P379 G383 R384 I385 L757 V776	G294-E381 WeakPolarHBondContact CA-OE1 3.05Å; L295-E381 WeakPolarHBondContact CA-OE1 3.1Å; L295-E381 VanDerWaalsContact N-CD 3.31Å; L295-E381 PolarHBondContact N-OE1 2.91Å; F296-E381 PolarHBondContact N-OE1 2.9Å; I378-E381 HydrophobicContact CB-CG 4.05Å; I378-E381 HydrophobicContact CG2-CG 4.45Å; I378-E381 PolarHBondContact O-N 2.78Å; I378-E381 VanDerWaalsContact O-N 3.11Å; P379-E381 VanDerWaalsContact C-N 3.32Å; P379-E381 PolarHBondContact O-N 3.31Å; E381-G383 PolarHBondContact O-N 3.38Å; E381-G383 VanDerWaalsContact O-N 3.08Å; E381-R384 PolarHBondContact O-N 3.43Å; E381-R384 IonicContact OE1-NH2 4Å; E381-R384 IonicContact OE2-NH2 2.69Å; E381-R384 PolarHBondContact OE2-NH2 3.12Å; E381-I385 PolarHBondContact O-N 2.86Å; E381-L757 WeakPolarHBondContact OE2-CD1 3.3Å; E381-V776 HydrophobicContact CB-CG2 3.68Å
382	L	94.9	Very high	90.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-56	-25.9	173.3	-66.7	175.2	0	0	0	112.9	I362 P379 E380 R384 I385 V776 F794 L805 L806 G810 Y888	I362-L382 HydrophobicContact CD1-CD1 4.29Å; P379-L382 WeakPolarHBondContact O-CB 3.33Å; E380-L382 PolarHBondContact O-N 2.81Å; L382-R384 VanDerWaalsContact C-N 3.33Å; L382-I385 HydrophobicContact CD2-CD1 4.2Å; L382-V776 HydrophobicContact CD2-CG1 3.84Å; L382-F794 HydrophobicContact CD1-CD1 4.25Å; L382-F794 HydrophobicContact CD1-CE1 3.68Å; L382-F794 HydrophobicContact CD1-CE2 4Å; L382-F794 HydrophobicContact CD1-CZ 3.56Å; L382-F794 HydrophobicContact CD2-CD2 4.06Å; L382-F794 HydrophobicContact CD2-CE2 3.87Å; L382-F794 HydrophobicContact CD2-CZ 4.3Å; L382-F794 HydrophobicContact CG-CE2 3.97Å; L382-F794 HydrophobicContact CG-CZ 3.95Å; L382-L805 HydrophobicContact CD1-CD1 3.89Å; L382-L805 HydrophobicContact CD1-CG 4.13Å; L382-L805 HydrophobicContact CD2-CD2 4.44Å; L382-L805 HydrophobicContact CD2-CG 4.33Å; L382-L806 HydrophobicContact CB-CD2 4.2Å; L382-L806 HydrophobicContact CD2-CD2 3.71Å; L382-G810 VanDerWaalsContact CB-CA 3.46Å; L382-Y888 PolarHBondContact O-OH 3.21Å
383	G	93.1	Very high	90.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-82.6	-2.8	179.9	0	0	0	0	0	115.2	E380 E381 G810 Y888 L891	E380-G383 PolarHBondContact O-N 3.26Å; E380-G383 VanDerWaalsContact O-N 3.15Å; E381-G383 PolarHBondContact O-N 3.38Å; E381-G383 VanDerWaalsContact O-N 3.08Å; G383-G810 WeakPolarHBondContact CA-O 3.33Å; G383-G810 PolarHBondContact N-O 3.1Å; G383-Y888 VanDerWaalsContact C-CZ 3.5Å; G383-Y888 VanDerWaalsContact C-OH 3.22Å; G383-L891 WeakPolarHBondContact O-CB 3.28Å; G383-L891 WeakPolarHBondContact O-CD1 3.48Å
384	R	93.8	Very high	90.3	Very high	8 Å²	8	9.1 Å²	9.1	3%	0.03	5%	0.047	C	C	.	.	S	Bend	trans	-139.9	15.6	-173.3	-63.1	-165.8	-53.6	-167.1	-9.5	114.9	L295 F296 E299 E381 L382 Q386 L757 Y814 Y888	L295-R384 VanDerWaalsContact CD2-NH2 3.3Å; F296-R384 VanDerWaalsContact N-NH2 3.1Å; E299-R384 VanDerWaalsContact CD-NH1 3.26Å; E299-R384 IonicContact OE1-NH1 3.07Å; E299-R384 PolarHBondContact OE1-NH1 2.81Å; E299-R384 IonicContact OE2-CZ 2.63Å; E299-R384 IonicContact OE2-NH1 2.97Å; E299-R384 PolarHBondContact OE2-NH1 3.5Å; E299-R384 IonicContact OE2-NH2 2.88Å; E381-R384 PolarHBondContact O-N 3.43Å; E381-R384 IonicContact OE1-NH2 4Å; E381-R384 IonicContact OE2-NH2 2.69Å; E381-R384 PolarHBondContact OE2-NH2 3.12Å; L382-R384 VanDerWaalsContact C-N 3.33Å; R384-Q386 PolarHBondContact O-N 3.05Å; R384-L757 HydrophobicContact CB-CD1 3.58Å; R384-Y814 HydrophobicContact CG-CD2 4.23Å; R384-Y814 HydrophobicContact CG-CE2 4.28Å; R384-Y814 HydrophobicContact CG-CG 4.37Å; R384-Y888 PolarHBondContact N-OH 3.2Å; R384-Y888 VanDerWaalsContact N-OH 3.14Å
385	I	95.3	Very high	90.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.2	175.3	-73.1	158.8	0	0	0	109.3	E381 L382 Y387 V648 A759 V776 L806 Y888	E381-I385 PolarHBondContact O-N 2.86Å; L382-I385 HydrophobicContact CD2-CD1 4.2Å; I385-Y387 WeakPolarHBondContact CG2-O 3.14Å; I385-V648 HydrophobicContact CG2-CG1 4.24Å; I385-A759 HydrophobicContact CB-CB 4.46Å; I385-A759 HydrophobicContact CD1-CB 3.6Å; I385-A759 HydrophobicContact CG1-CB 3.92Å; I385-A759 HydrophobicContact CG2-CB 3.67Å; I385-V776 HydrophobicContact CD1-CB 4.15Å; I385-V776 HydrophobicContact CD1-CG1 4.4Å; I385-V776 HydrophobicContact CD1-CG2 4.08Å; I385-V776 HydrophobicContact CG1-CG2 4.4Å; I385-L806 HydrophobicContact CD1-CD2 3.4Å; I385-L806 VanDerWaalsContact CD1-CD2 3.4Å; I385-Y888 PolarHBondContact N-OH 3.04Å; I385-Y888 WeakPolarHBondContact O-CE1 3.44Å
386	Q	94.9	Very high	91.4	Very high	45 Å²	45	5.8 Å²	5.8	21%	0.21	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-24	176.8	-73.9	173.9	-64.7	0	0	112.7	R384 V648 K649 K756 L757 V892	R384-Q386 PolarHBondContact O-N 3.05Å; Q386-V648 WeakPolarHBondContact O-CA 3.18Å; Q386-K649 PolarHBondContact O-N 2.67Å; Q386-K756 HydrophobicContact CB-CB 4.42Å; Q386-K756 VanDerWaalsContact OE1-CA 3.31Å; Q386-L757 PolarHBondContact N-O 3.48Å; Q386-V892 HydrophobicContact CG-CB 4.49Å; Q386-V892 HydrophobicContact CG-CG1 3.48Å; Q386-V892 VanDerWaalsContact CG-CG1 3.48Å; Q386-V892 HydrophobicContact CG-CG2 4.16Å
387	Y	96.5	Very high	92	Very high	6 Å²	6	5.1 Å²	5.1	2%	0.024	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	177.2	-69.9	-103.7	0	0	0	108.8	I385 K649 W651 S727 L749 N753 K756 L757 A759	I385-Y387 WeakPolarHBondContact CG2-O 3.14Å; Y387-K649 WeakPolarHBondContact CA-O 3.26Å; Y387-K649 HydrophobicContact CD1-CB 4.16Å; Y387-K649 HydrophobicContact CE1-CB 4.29Å; Y387-K649 HydrophobicContact CE1-CD 4.12Å; Y387-W651 HydrophobicContact CD1-CZ2 4.33Å; Y387-W651 AromaticContact CD1-NE1 3.96Å; Y387-W651 HydrophobicContact CE1-CZ2 4.05Å; Y387-S727 WeakPolarHBondContact OH-CB 3.25Å; Y387-S727 PolarHBondContact OH-OG 2.63Å; Y387-L749 HydrophobicContact CD1-CD1 4.18Å; Y387-L749 HydrophobicContact CD1-CD2 3.76Å; Y387-L749 HydrophobicContact CD1-CG 4.49Å; Y387-L749 HydrophobicContact CE1-CD1 4.06Å; Y387-L749 HydrophobicContact CE1-CD2 4.46Å; Y387-L749 HydrophobicContact CG-CD2 3.89Å; Y387-N753 VanDerWaalsContact CD2-ND2 3.32Å; Y387-N753 WeakPolarHBondContact CD2-ND2 3.2Å; Y387-N753 WeakPolarHBondContact CE2-ND2 3.48Å; Y387-N753 PolarHBondContact OH-ND2 3.31Å; Y387-N753 PolarHBondContact OH-OD1 3.5Å; Y387-K756 HydrophobicContact CD2-CB 4.4Å; Y387-K756 HydrophobicContact CE2-CB 4.26Å; Y387-K756 HydrophobicContact CE2-CD 3.72Å; Y387-L757 PolarHBondContact N-O 2.93Å; Y387-A759 PolarHBondContact O-N 2.66Å
388	L	96.7	Very high	92.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.1	173.3	176.4	69.5	0	0	0	108	L643 V648 K649 A650 W651 A759 I761 F799 L802	L388-L643 HydrophobicContact CD2-CD1 3.84Å; L388-V648 HydrophobicContact CB-CG1 3.84Å; L388-K649 PolarHBondContact N-O 2.88Å; L388-A650 CarbonylContact O-C 3.35Å; L388-A650 WeakPolarHBondContact O-CA 3.43Å; L388-W651 PolarHBondContact O-N 3.32Å; L388-A759 WeakPolarHBondContact CA-O 3.39Å; L388-A759 HydrophobicContact CD1-CB 4.18Å; L388-I761 HydrophobicContact CD1-CB 4.4Å; L388-I761 HydrophobicContact CD1-CG2 3.9Å; L388-I761 HydrophobicContact CG-CG2 4.4Å; L388-F799 HydrophobicContact CD2-CZ 4.39Å; L388-L802 HydrophobicContact CD1-CD2 3.96Å; L388-L802 HydrophobicContact CD2-CD2 3.51Å; L388-L802 HydrophobicContact CG-CD2 4.39Å
389	L	96.9	Very high	91.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.5	170.8	-72.5	71.7	0	0	0	107.3	W651 L653 V745 V746 L749 V758 A759 A760 I761 M770	L389-W651 CarbonylContact C-O 3.55Å; L389-W651 VanDerWaalsContact CA-O 3.31Å; L389-W651 WeakPolarHBondContact CA-O 3.2Å; L389-W651 HydrophobicContact CG-CB 4.18Å; L389-L653 HydrophobicContact CB-CD1 4.23Å; L389-L653 HydrophobicContact CD2-CD1 3.47Å; L389-L653 VanDerWaalsContact CD2-CD1 3.47Å; L389-L653 HydrophobicContact CD2-CG 4.28Å; L389-L653 HydrophobicContact CG-CD1 4.19Å; L389-V745 HydrophobicContact CD2-CG1 3.98Å; L389-V746 HydrophobicContact CD2-CB 4.39Å; L389-V746 HydrophobicContact CD2-CG2 3.4Å; L389-L749 HydrophobicContact CD1-CD2 3.9Å; L389-V758 HydrophobicContact CD1-CG1 3.34Å; L389-A759 PolarHBondContact N-O 2.85Å; L389-A760 HydrophobicContact CB-CB 4.47Å; L389-A760 CarbonylContact O-C 3.47Å; L389-A760 VanDerWaalsContact O-CA 3.23Å; L389-A760 WeakPolarHBondContact O-CA 3.49Å; L389-I761 PolarHBondContact O-N 3.09Å; L389-M770 HydrophobicContact CB-SD 4.19Å
390	C	95.4	Very high	91.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.4	-176.6	51.3	0	0	0	0	110.4	W651 M652 L653 I761	C390-W651 PolarHBondContact N-O 3.27Å; C390-W651 PolarHBondContact SG-O 3.45Å; C390-M652 CarbonylContact O-C 3.48Å; C390-M652 WeakPolarHBondContact O-CA 3.13Å; C390-L653 PolarHBondContact O-N 3.42Å; C390-I761 HydrophobicContact CB-CG2 3.53Å
391	D	91.9	Very high	91	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.064	C	C	.	.			trans	-74.2	159.6	163.4	-169.1	56.1	0	0	0	111.1	T393 T395 L396 K742 I761 D767	D391-T393 PolarHBondContact OD2-N 2.77Å; D391-T395 WeakPolarHBondContact O-CB 3.14Å; D391-T395 WeakPolarHBondContact O-CG2 3.27Å; D391-L396 WeakPolarHBondContact O-CG 3.37Å; D391-K742 IonicContact OD1-NZ 3.25Å; D391-K742 PolarHBondContact OD1-NZ 2.83Å; D391-I761 PolarHBondContact N-O 3.39Å; D391-D767 VanDerWaalsContact CB-OD2 3.24Å; D391-D767 WeakPolarHBondContact CB-OD2 3.16Å
392	K	90.3	Very high	90.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-89.1	-58.2	178.1	-173.9	-124.9	76.3	162.6	0	111.3	L396 T397 D630 M652 T654 D656 I664	K392-L396 PolarHBondContact O-N 2.65Å; K392-T397 HydrophobicContact CG-CG2 4.41Å; K392-T397 PolarHBondContact O-N 2.89Å; K392-T397 VanDerWaalsContact O-N 3.1Å; K392-D630 IonicContact NZ-OD2 3.69Å; K392-D630 PolarHBondContact NZ-OD2 3.44Å; K392-M652 HydrophobicContact CB-CG 4.37Å; K392-M652 HydrophobicContact CB-SD 4.17Å; K392-M652 HydrophobicContact CG-SD 4.17Å; K392-T654 HydrophobicContact CB-CG2 4.49Å; K392-D656 VanDerWaalsContact CD-OD2 3.24Å; K392-D656 WeakPolarHBondContact CD-OD2 3.24Å; K392-D656 WeakPolarHBondContact CE-OD2 3.3Å; K392-D656 IonicContact NZ-OD2 3.75Å; K392-D656 PolarHBondContact NZ-OD2 3.02Å; K392-I664 HydrophobicContact CD-CB 4.42Å; K392-I664 HydrophobicContact CD-CG1 3.86Å; K392-I664 HydrophobicContact CG-CB 4.05Å; K392-I664 HydrophobicContact CG-CG1 3.97Å; K392-I664 HydrophobicContact CG-CG2 3.81Å
393	T	83.4	Confident	90.8	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.025	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	131	-169.2	-59.1	0	0	0	0	108.7	G194 T196 D391 T395	G194-T393 PolarHBondContact O-OG1 3.07Å; G194-T393 VanDerWaalsContact O-OG1 3.07Å; T196-T393 HydrophobicContact CG2-CG2 3.42Å; T196-T393 VanDerWaalsContact CG2-CG2 3.42Å; D391-T393 PolarHBondContact OD2-N 2.77Å; T393-T395 PolarHBondContact O-N 2.97Å
394	G	83.3	Confident	90.7	Very high	8 Å²	8	17 Å²	17	8%	0.082	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-13.1	178.3	0	0	0	0	0	115.6	T397 Q633 D763	G394-T397 CarbonylContact C-O 3.45Å; G394-T397 VanDerWaalsContact C-O 3.25Å; G394-T397 WeakPolarHBondContact CA-O 3.09Å; G394-T397 PolarHBondContact N-O 3.3Å; G394-Q633 PolarHBondContact O-NE2 2.93Å; G394-D763 VanDerWaalsContact CA-OD2 3.3Å; G394-D763 WeakPolarHBondContact CA-OD2 3.13Å
395	T	90.8	Very high	90.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-59.9	178.1	-65.1	0	0	0	0	112.4	D391 T393 Q633 I761 G762 D763 I780 F799	D391-T395 WeakPolarHBondContact O-CB 3.14Å; D391-T395 WeakPolarHBondContact O-CG2 3.27Å; T393-T395 PolarHBondContact O-N 2.97Å; T395-Q633 VanDerWaalsContact O-CD 3.23Å; T395-Q633 PolarHBondContact O-NE2 3.32Å; T395-I761 HydrophobicContact CG2-CG1 4.13Å; T395-I761 HydrophobicContact CG2-CG2 4.1Å; T395-G762 VanDerWaalsContact OG1-CA 3.3Å; T395-G762 WeakPolarHBondContact OG1-CA 3.24Å; T395-D763 PolarHBondContact OG1-N 3.24Å; T395-I780 HydrophobicContact CG2-CD1 3.86Å; T395-F799 HydrophobicContact CG2-CD2 4.11Å; T395-F799 HydrophobicContact CG2-CE2 4.47Å
396	L	93	Very high	90.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-32.2	173.5	-65.3	174.6	0	0	0	111	D391 K392 L632 Q633 V636 L640 M652 I664 F799	D391-L396 WeakPolarHBondContact O-CG 3.37Å; K392-L396 PolarHBondContact O-N 2.65Å; L396-L632 CarbonylContact O-C 3.6Å; L396-L632 WeakPolarHBondContact O-CA 3.3Å; L396-Q633 PolarHBondContact O-N 2.85Å; L396-V636 HydrophobicContact CD2-CG1 3.64Å; L396-L640 HydrophobicContact CD2-CD1 4.39Å; L396-M652 HydrophobicContact CD1-CE 3.6Å; L396-M652 HydrophobicContact CD1-CG 4.33Å; L396-M652 HydrophobicContact CD1-SD 4.44Å; L396-I664 HydrophobicContact CB-CG2 4.48Å; L396-I664 HydrophobicContact CD1-CG2 4.42Å; L396-F799 HydrophobicContact CD2-CD1 4.43Å; L396-F799 HydrophobicContact CD2-CD2 3.94Å; L396-F799 HydrophobicContact CD2-CE1 4.1Å; L396-F799 HydrophobicContact CD2-CE2 3.57Å; L396-F799 HydrophobicContact CD2-CG 4.35Å; L396-F799 HydrophobicContact CD2-CZ 3.66Å
397	T	90.7	Very high	90.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	157.7	178.2	77	0	0	0	0	111.7	K392 G394 N399 D630 Q631 L632 I664	K392-T397 HydrophobicContact CG-CG2 4.41Å; K392-T397 PolarHBondContact O-N 2.89Å; K392-T397 VanDerWaalsContact O-N 3.1Å; G394-T397 CarbonylContact C-O 3.45Å; G394-T397 VanDerWaalsContact C-O 3.25Å; G394-T397 WeakPolarHBondContact CA-O 3.09Å; G394-T397 PolarHBondContact N-O 3.3Å; T397-N399 VanDerWaalsContact C-N 3.27Å; T397-D630 WeakPolarHBondContact CB-OD1 3.43Å; T397-D630 PolarHBondContact OG1-OD1 2.96Å; T397-Q631 CarbonylContact C-O 3.45Å; T397-Q631 WeakPolarHBondContact CA-O 3.15Å; T397-L632 HydrophobicContact CG2-CD2 4.19Å; T397-I664 HydrophobicContact CG2-CD1 3.63Å; T397-I664 HydrophobicContact CG2-CG1 4.01Å; T397-I664 HydrophobicContact CG2-CG2 4.21Å
398	Q	86.6	Confident	90.2	Very high	62 Å²	62	17 Å²	17	29%	0.29	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-0.1	174.7	-62.6	-174.6	32.9	0	0	112.8	N400 Q631 L632 Q633	Q398-N400 HydrophobicContact CB-CB 4.39Å; Q398-N400 PolarHBondContact O-N 3.12Å; Q398-Q631 PolarHBondContact N-O 3.38Å; Q398-L632 PolarHBondContact NE2-O 3.28Å; Q398-Q633 HydrophobicContact CG-CB 4.4Å; Q398-Q633 HydrophobicContact CG-CG 3.94Å
399	N	78	Confident	89.6	Confident	41 Å²	41	18 Å²	18	22%	0.219	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	40.4	-169.2	-161.8	16.5	0	0	0	112.3	T196 T397 E784	T196-N399 WeakPolarHBondContact CB-OD1 3.49Å; T196-N399 WeakPolarHBondContact CG2-OD1 3.46Å; T397-N399 VanDerWaalsContact C-N 3.27Å; N399-E784 PolarHBondContact ND2-OE1 3.18Å
400	N	85.1	Confident	88.9	Confident	71 Å²	71	23.6 Å²	23.6	38%	0.38	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.1	177.9	-172.4	24.3	0	0	0	108.8	Q398 Q631	Q398-N400 HydrophobicContact CB-CB 4.39Å; Q398-N400 PolarHBondContact O-N 3.12Å; N400-Q631 HydrophobicContact CB-CB 4.49Å; N400-Q631 PolarHBondContact ND2-OE1 3.4Å; N400-Q631 WeakPolarHBondContact O-CB 3.49Å; N400-Q631 PolarHBondContact O-N 3.1Å
401	M	87.3	Confident	88.5	Confident	13 Å²	13	26 Å²	26	6%	0.064	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.3	-179.2	-58.1	-56.5	170.7	0	0	109.1	P477 D478 A481 R574 V628 E629 D630	M401-P477 HydrophobicContact CB-CB 4.45Å; M401-P477 HydrophobicContact CE-CG 3.98Å; M401-P477 HydrophobicContact CG-CB 3.69Å; M401-P477 HydrophobicContact CG-CG 3.88Å; M401-D478 WeakPolarHBondContact CG-OD1 3.39Å; M401-A481 HydrophobicContact CB-CB 3.83Å; M401-A481 VanDerWaalsContact O-CB 3.25Å; M401-A481 WeakPolarHBondContact O-CB 3.47Å; M401-R574 VanDerWaalsContact CE-NH2 3.34Å; M401-V628 HydrophobicContact CB-CG1 3.96Å; M401-E629 WeakPolarHBondContact CA-O 3.45Å; M401-D630 HydrophobicContact CE-CB 4.06Å; M401-D630 HydrophobicContact SD-CB 3.52Å; M401-D630 VanDerWaalsContact SD-CB 3.52Å
402	I	90.6	Very high	88.3	Confident	41 Å²	41	29.2 Å²	29.2	21%	0.21	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.1	-177.6	-59.8	177.7	0	0	0	109	K404 E629 Q631	I402-K404 HydrophobicContact CG2-CD 4.29Å; I402-K404 PolarHBondContact O-N 3.33Å; I402-E629 PolarHBondContact N-O 2.86Å; I402-E629 PolarHBondContact O-N 3.33Å; I402-Q631 HydrophobicContact CD1-CB 4.32Å; I402-Q631 HydrophobicContact CD1-CG 4.37Å
403	F	92.6	Very high	88.4	Confident	8 Å²	8	29.4 Å²	29.4	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.5	170.4	-169.2	-91.7	0	0	0	110.2	K405 L406 F418 L482 W485 T626 V628	F403-K405 WeakPolarHBondContact CZ-O 3.39Å; F403-L406 HydrophobicContact CE1-CB 3.93Å; F403-L406 HydrophobicContact CZ-CB 3.78Å; F403-L406 HydrophobicContact CZ-CD1 4.15Å; F403-F418 HydrophobicContact CD1-CE1 4.31Å; F403-F418 AromaticContact CD1-CE2 3.95Å; F403-F418 HydrophobicContact CD1-CE2 3.95Å; F403-F418 AromaticContact CD1-CZ 3.49Å; F403-F418 HydrophobicContact CD1-CZ 3.49Å; F403-F418 VanDerWaalsContact CD1-CZ 3.49Å; F403-F418 HydrophobicContact CE1-CE1 4Å; F403-F418 HydrophobicContact CE1-CE2 4.46Å; F403-F418 AromaticContact CE1-CZ 3.61Å; F403-F418 HydrophobicContact CE1-CZ 3.61Å; F403-L482 HydrophobicContact CD2-CD2 3.4Å; F403-L482 HydrophobicContact CD2-CG 4.49Å; F403-L482 HydrophobicContact CE2-CD2 3.38Å; F403-W485 HydrophobicContact CB-CB 3.76Å; F403-W485 HydrophobicContact CB-CD2 4.43Å; F403-W485 HydrophobicContact CB-CG 3.78Å; F403-W485 HydrophobicContact CD1-CB 4.4Å; F403-W485 AromaticContact CD1-CD1 3.64Å; F403-W485 AromaticContact CD1-CD2 3.42Å; F403-W485 HydrophobicContact CD1-CD2 3.42Å; F403-W485 VanDerWaalsContact CD1-CD2 3.42Å; F403-W485 AromaticContact CD1-CE2 3.44Å; F403-W485 VanDerWaalsContact CD1-CE2 3.44Å; F403-W485 HydrophobicContact CD1-CE3 4.04Å; F403-W485 AromaticContact CD1-CG 3.55Å; F403-W485 HydrophobicContact CD1-CG 3.55Å; F403-W485 HydrophobicContact CD1-CZ2 4.08Å; F403-W485 AromaticContact CD1-NE1 3.54Å; F403-W485 AromaticContact CE1-CD2 3.69Å; F403-W485 HydrophobicContact CE1-CD2 3.69Å; F403-W485 AromaticContact CE1-CE2 3.51Å; F403-W485 AromaticContact CE1-CE3 3.95Å; F403-W485 HydrophobicContact CE1-CE3 3.95Å; F403-W485 HydrophobicContact CE1-CG 4.31Å; F403-W485 AromaticContact CE1-CH2 3.96Å; F403-W485 HydrophobicContact CE1-CH2 3.96Å; F403-W485 AromaticContact CE1-CZ2 3.65Å; F403-W485 HydrophobicContact CE1-CZ2 3.65Å; F403-W485 HydrophobicContact CE1-CZ3 4.08Å; F403-W485 HydrophobicContact CE2-CE3 4.45Å; F403-W485 HydrophobicContact CG-CB 4.12Å; F403-W485 AromaticContact CG-CD2 3.89Å; F403-W485 HydrophobicContact CG-CD2 3.89Å; F403-W485 HydrophobicContact CG-CE3 4.34Å; F403-W485 AromaticContact CG-CG 3.76Å; F403-W485 HydrophobicContact CG-CG 3.76Å; F403-W485 HydrophobicContact CZ-CD2 4.34Å; F403-W485 HydrophobicContact CZ-CE3 4.16Å; F403-W485 HydrophobicContact CZ-CH2 4.31Å; F403-W485 HydrophobicContact CZ-CZ2 4.44Å; F403-W485 HydrophobicContact CZ-CZ3 4.15Å; F403-T626 HydrophobicContact CE2-CG2 3.71Å; F403-T626 HydrophobicContact CZ-CG2 4.1Å; F403-V628 HydrophobicContact CD2-CG2 4.07Å
404	K	92.2	Very high	88.7	Confident	49 Å²	49	31.8 Å²	31.8	21%	0.213	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-39.6	-174.4	-77	-59.5	-160.3	176.7	0	114	I402 Q415 F418 L573 G627 E629	I402-K404 HydrophobicContact CG2-CD 4.29Å; I402-K404 PolarHBondContact O-N 3.33Å; K404-Q415 HydrophobicContact CD-CG 3.83Å; K404-Q415 VanDerWaalsContact CD-NE2 3.33Å; K404-Q415 VanDerWaalsContact NZ-CD 3.26Å; K404-Q415 PolarHBondContact O-N 2.95Å; K404-F418 VanDerWaalsContact O-CZ 3.28Å; K404-F418 WeakPolarHBondContact O-CZ 3.33Å; K404-L573 HydrophobicContact CB-CD1 4.37Å; K404-L573 HydrophobicContact CB-CD2 4.01Å; K404-L573 HydrophobicContact CG-CD2 4.01Å; K404-G627 PolarHBondContact N-O 3.01Å; K404-E629 WeakPolarHBondContact CE-OE2 3.4Å; K404-E629 HydrophobicContact CG-CB 3.71Å; K404-E629 IonicContact NZ-OE2 3.64Å
405	K	93.3	Very high	88.9	Confident	36 Å²	36	36 Å²	36	16%	0.157	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.3	-171.7	-69.6	-173.3	171.1	-176.7	0	112	F403 M412 F413 N414 L568 E571 L573 G627	F403-K405 WeakPolarHBondContact CZ-O 3.39Å; K405-M412 HydrophobicContact CD-SD 4.03Å; K405-F413 VanDerWaalsContact CA-O 3.31Å; K405-F413 WeakPolarHBondContact CA-O 3.35Å; K405-N414 HydrophobicContact CG-CB 4.48Å; K405-L568 HydrophobicContact CB-CD2 4.06Å; K405-L568 HydrophobicContact CD-CD2 3.39Å; K405-L568 HydrophobicContact CG-CD2 4.32Å; K405-E571 WeakPolarHBondContact CE-OE2 2.85Å; K405-E571 IonicContact NZ-OE1 3.61Å; K405-E571 PolarHBondContact NZ-OE1 3.17Å; K405-E571 IonicContact NZ-OE2 3.95Å; K405-E571 PolarHBondContact NZ-OE2 3.48Å; K405-L573 HydrophobicContact CB-CD1 4.47Å; K405-L573 HydrophobicContact CD-CD1 3.88Å; K405-L573 HydrophobicContact CG-CD1 4.2Å; K405-G627 PolarHBondContact N-O 3.36Å; K405-G627 PolarHBondContact O-N 3.41Å
406	L	93.4	Very high	88.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.7	169.7	-179.7	68.1	0	0	0	108.7	F403 L408 M412 F413 I421 L446 W485 C624 T626	F403-L406 HydrophobicContact CE1-CB 3.93Å; F403-L406 HydrophobicContact CZ-CB 3.78Å; F403-L406 HydrophobicContact CZ-CD1 4.15Å; L406-L408 HydrophobicContact CD1-CD2 4.26Å; L406-L408 HydrophobicContact CD2-CD2 4.01Å; L406-L408 HydrophobicContact CD2-CG 4.36Å; L406-L408 HydrophobicContact CG-CD2 4Å; L406-L408 HydrophobicContact CG-CG 4.37Å; L406-M412 CarbonylContact O-C 3.58Å; L406-M412 WeakPolarHBondContact O-CA 3.39Å; L406-F413 HydrophobicContact CB-CB 4.36Å; L406-F413 HydrophobicContact CD2-CD2 4.35Å; L406-F413 PolarHBondContact N-O 2.72Å; L406-F413 PolarHBondContact O-N 3.35Å; L406-I421 HydrophobicContact CD2-CD1 4.27Å; L406-L446 HydrophobicContact CD2-CD1 4.27Å; L406-W485 HydrophobicContact CD2-CH2 3.81Å; L406-C624 HydrophobicContact CD1-CB 3.67Å; L406-T626 HydrophobicContact CD1-CG2 3.98Å
407	H	92.7	Very high	88.4	Confident	16 Å²	16	46 Å²	46	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123	175.7	-164.1	-76.1	0	0	0	110.3	G409 W560 E564 C624 L625	H407-G409 WeakPolarHBondContact CE1-CA 3.42Å; H407-G409 PolarHBondContact CE1-N 3.25Å; H407-G409 PolarHBondContact CE1-O 3.15Å; H407-G409 VanDerWaalsContact CE1-O 3.29Å; H407-G409 WeakPolarHBondContact ND1-CA 2.99Å; H407-G409 PolarHBondContact ND1-N 3.1Å; H407-W560 HydrophobicContact CB-CZ3 4.25Å; H407-W560 AromaticContact CE1-CD2 3.84Å; H407-W560 AromaticContact CE1-CE3 3.41Å; H407-W560 VanDerWaalsContact CE1-CE3 3.41Å; H407-W560 AromaticContact CE1-CZ3 3.68Å; H407-W560 AromaticContact CG-CZ3 3.78Å; H407-W560 AromaticContact ND1-CD2 3.93Å; H407-W560 AromaticContact ND1-CE3 3.25Å; H407-W560 VanDerWaalsContact ND1-CE3 3.25Å; H407-W560 AromaticContact ND1-CH2 3.42Å; H407-W560 WeakPolarHBondContact ND1-CH2 3.33Å; H407-W560 AromaticContact ND1-CZ3 2.99Å; H407-W560 WeakPolarHBondContact ND1-CZ3 2.92Å; H407-E564 IonicContact CD2-OE2 3.96Å; H407-C624 CarbonylContact O-C 3.52Å; H407-C624 WeakPolarHBondContact O-CA 3.44Å; H407-C624 WeakPolarHBondContact O-CB 2.73Å; H407-L625 HydrophobicContact CB-CB 4.19Å; H407-L625 PolarHBondContact N-O 2.98Å; H407-L625 PolarHBondContact O-N 2.87Å
408	L	90	Very high	88.2	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.042	24%	0.243	C	C	.	.			trans	-104.8	6.8	-179.5	-60.1	-174.5	0	0	0	113.2	L406 T410 V411 F413 L441 T442 A445 C624	L406-L408 HydrophobicContact CD1-CD2 4.26Å; L406-L408 HydrophobicContact CD2-CD2 4.01Å; L406-L408 HydrophobicContact CD2-CG 4.36Å; L406-L408 HydrophobicContact CG-CD2 4Å; L406-L408 HydrophobicContact CG-CG 4.37Å; L408-T410 PolarHBondContact O-N 3.25Å; L408-V411 PolarHBondContact N-O 3.15Å; L408-F413 HydrophobicContact CD1-CD2 4.42Å; L408-F413 HydrophobicContact CD1-CE2 3.77Å; L408-F413 HydrophobicContact CG-CE2 4.33Å; L408-L441 HydrophobicContact CB-CD2 4Å; L408-L441 WeakPolarHBondContact O-CD2 3.45Å; L408-T442 HydrophobicContact CD1-CG2 4.36Å; L408-T442 WeakPolarHBondContact CD1-OG1 3.48Å; L408-A445 HydrophobicContact CD2-CB 3.67Å; L408-C624 HydrophobicContact CD2-CB 3.55Å
409	G	84.1	Confident	88.1	Confident	20 Å²	20	50 Å²	50	21%	0.206	26%	0.263	C	S	.	.	S	Bend	trans	98.7	-56	-179.4	0	0	0	0	0	112.7	H407	H407-G409 WeakPolarHBondContact CE1-CA 3.42Å; H407-G409 PolarHBondContact CE1-N 3.25Å; H407-G409 PolarHBondContact CE1-O 3.15Å; H407-G409 VanDerWaalsContact CE1-O 3.29Å; H407-G409 WeakPolarHBondContact ND1-CA 2.99Å; H407-G409 PolarHBondContact ND1-N 3.1Å
410	T	81.4	Confident	88.4	Confident	117 Å²	117	53.1 Å²	53.1	72%	0.718	28%	0.276	S	S	*	.	S	Bend	trans	-90	-23.7	177.1	49.8	0	0	0	0	113.5	L408	L408-T410 PolarHBondContact O-N 3.25Å
411	V	87.8	Confident	88.3	Confident	50 Å²	50	49.8 Å²	49.8	30%	0.303	26%	0.258	S	S	.	.			trans	-136.1	138	-176.4	-173.5	0	0	0	0	109.4	L408 F413 T438	L408-V411 PolarHBondContact N-O 3.15Å; V411-F413 HydrophobicContact CB-CE2 4.29Å; V411-F413 HydrophobicContact CB-CZ 4.41Å; V411-F413 HydrophobicContact CG1-CD1 4.43Å; V411-F413 HydrophobicContact CG1-CD2 4.33Å; V411-F413 HydrophobicContact CG1-CE1 3.99Å; V411-F413 HydrophobicContact CG1-CE2 3.89Å; V411-F413 HydrophobicContact CG1-CZ 3.7Å; V411-T438 HydrophobicContact CG2-CG2 4.07Å
412	M	88.5	Confident	88.1	Confident	70 Å²	70	50.4 Å²	50.4	35%	0.345	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.1	169.1	-172.4	-169.5	-70.7	0	0	108.9	K405 L406 E564	K405-M412 HydrophobicContact CD-SD 4.03Å; L406-M412 CarbonylContact O-C 3.58Å; L406-M412 WeakPolarHBondContact O-CA 3.39Å; M412-E564 WeakPolarHBondContact CE-OE2 3.37Å
413	F	91	Very high	87.7	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.9	170.5	-60.1	-80	0	0	0	110.2	K405 L406 L408 V411 T417 F418 E420 I421 L424	K405-F413 VanDerWaalsContact CA-O 3.31Å; K405-F413 WeakPolarHBondContact CA-O 3.35Å; L406-F413 HydrophobicContact CB-CB 4.36Å; L406-F413 HydrophobicContact CD2-CD2 4.35Å; L406-F413 PolarHBondContact N-O 2.72Å; L406-F413 PolarHBondContact O-N 3.35Å; L408-F413 HydrophobicContact CD1-CD2 4.42Å; L408-F413 HydrophobicContact CD1-CE2 3.77Å; L408-F413 HydrophobicContact CG-CE2 4.33Å; V411-F413 HydrophobicContact CB-CE2 4.29Å; V411-F413 HydrophobicContact CB-CZ 4.41Å; V411-F413 HydrophobicContact CG1-CD1 4.43Å; V411-F413 HydrophobicContact CG1-CD2 4.33Å; V411-F413 HydrophobicContact CG1-CE1 3.99Å; V411-F413 HydrophobicContact CG1-CE2 3.89Å; V411-F413 HydrophobicContact CG1-CZ 3.7Å; F413-T417 WeakPolarHBondContact CA-OG1 3.47Å; F413-F418 HydrophobicContact CB-CD1 4Å; F413-F418 HydrophobicContact CB-CE1 4Å; F413-E420 HydrophobicContact CE1-CB 4.45Å; F413-I421 HydrophobicContact CB-CD1 3.8Å; F413-I421 HydrophobicContact CB-CG1 4.47Å; F413-I421 HydrophobicContact CD1-CD1 4.09Å; F413-I421 HydrophobicContact CD1-CG1 3.82Å; F413-I421 HydrophobicContact CD2-CD1 3.97Å; F413-I421 HydrophobicContact CD2-CG1 4.13Å; F413-I421 HydrophobicContact CE1-CG1 4.01Å; F413-I421 HydrophobicContact CE2-CG1 4.29Å; F413-I421 HydrophobicContact CG-CD1 3.68Å; F413-I421 HydrophobicContact CG-CG1 3.88Å; F413-I421 HydrophobicContact CZ-CG1 4.23Å; F413-L424 HydrophobicContact CE1-CD1 4.37Å; F413-L424 HydrophobicContact CZ-CD1 3.99Å
414	N	90.3	Very high	87.2	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	177.8	174.9	64.7	9.3	0	0	0	108.9	K405 E416 T417 F418	K405-N414 HydrophobicContact CG-CB 4.48Å; N414-E416 PolarHBondContact O-N 2.91Å; N414-E416 VanDerWaalsContact O-N 3.09Å; N414-E416 PolarHBondContact OD1-N 3.44Å; N414-T417 PolarHBondContact N-OG1 3.02Å; N414-T417 PolarHBondContact O-N 3.18Å; N414-T417 PolarHBondContact O-OG1 2.66Å; N414-T417 PolarHBondContact OD1-N 3.22Å; N414-T417 VanDerWaalsContact OD1-N 3.13Å; N414-T417 PolarHBondContact OD1-OG1 2.89Å; N414-F418 WeakPolarHBondContact O-CD1 3.43Å; N414-F418 WeakPolarHBondContact O-CE1 3.25Å; N414-F418 WeakPolarHBondContact O-CG 3.36Å; N414-F418 PolarHBondContact O-N 3.13Å; N414-F418 VanDerWaalsContact O-N 3.12Å
415	Q	86.5	Confident	86.6	Confident	97 Å²	97	50.1 Å²	50.1	45%	0.453	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.1	-178.4	-71	-168.2	-46.4	0	0	114.6	K404 F418	K404-Q415 HydrophobicContact CD-CG 3.83Å; K404-Q415 VanDerWaalsContact CD-NE2 3.33Å; K404-Q415 VanDerWaalsContact NZ-CD 3.26Å; K404-Q415 PolarHBondContact O-N 2.95Å; Q415-F418 HydrophobicContact CB-CD2 4.49Å; Q415-F418 HydrophobicContact CB-CE2 4.41Å; Q415-F418 HydrophobicContact CG-CD2 4.37Å; Q415-F418 HydrophobicContact CG-CE2 3.88Å
416	E	86.3	Confident	85.9	Confident	174 Å²	174	56 Å²	56	81%	0.813	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-22.5	179.7	-62	176.6	179.6	0	0	112.3	N414	N414-E416 PolarHBondContact O-N 2.91Å; N414-E416 VanDerWaalsContact O-N 3.09Å; N414-E416 PolarHBondContact OD1-N 3.44Å
417	T	87.4	Confident	85.2	Confident	36 Å²	36	59.9 Å²	59.9	22%	0.221	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	2.8	-178.1	57.5	0	0	0	0	114.1	F413 N414 D419 E420	F413-T417 WeakPolarHBondContact CA-OG1 3.47Å; N414-T417 PolarHBondContact N-OG1 3.02Å; N414-T417 PolarHBondContact O-N 3.18Å; N414-T417 PolarHBondContact O-OG1 2.66Å; N414-T417 PolarHBondContact OD1-N 3.22Å; N414-T417 VanDerWaalsContact OD1-N 3.13Å; N414-T417 PolarHBondContact OD1-OG1 2.89Å; T417-D419 VanDerWaalsContact C-N 3.25Å; T417-D419 PolarHBondContact O-N 2.85Å; T417-E420 WeakPolarHBondContact O-CB 3.44Å; T417-E420 PolarHBondContact O-N 2.77Å; T417-E420 VanDerWaalsContact O-N 3.1Å
418	F	87	Confident	84.4	Confident	13 Å²	13	60.2 Å²	60.2	6%	0.057	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-29.8	-179.8	-74	-19	0	0	0	113.9	F403 K404 F413 N414 Q415 E420 I421 W485 M489	F403-F418 HydrophobicContact CD1-CE1 4.31Å; F403-F418 AromaticContact CD1-CE2 3.95Å; F403-F418 HydrophobicContact CD1-CE2 3.95Å; F403-F418 AromaticContact CD1-CZ 3.49Å; F403-F418 HydrophobicContact CD1-CZ 3.49Å; F403-F418 VanDerWaalsContact CD1-CZ 3.49Å; F403-F418 HydrophobicContact CE1-CE1 4Å; F403-F418 HydrophobicContact CE1-CE2 4.46Å; F403-F418 AromaticContact CE1-CZ 3.61Å; F403-F418 HydrophobicContact CE1-CZ 3.61Å; K404-F418 VanDerWaalsContact O-CZ 3.28Å; K404-F418 WeakPolarHBondContact O-CZ 3.33Å; F413-F418 HydrophobicContact CB-CD1 4Å; F413-F418 HydrophobicContact CB-CE1 4Å; N414-F418 WeakPolarHBondContact O-CD1 3.43Å; N414-F418 WeakPolarHBondContact O-CE1 3.25Å; N414-F418 WeakPolarHBondContact O-CG 3.36Å; N414-F418 PolarHBondContact O-N 3.13Å; N414-F418 VanDerWaalsContact O-N 3.12Å; Q415-F418 HydrophobicContact CB-CD2 4.49Å; Q415-F418 HydrophobicContact CB-CE2 4.41Å; Q415-F418 HydrophobicContact CG-CD2 4.37Å; Q415-F418 HydrophobicContact CG-CE2 3.88Å; F418-E420 PolarHBondContact O-N 3.04Å; F418-E420 VanDerWaalsContact O-N 3.14Å; F418-I421 HydrophobicContact CD1-CD1 3.8Å; F418-I421 HydrophobicContact CE1-CD1 4.41Å; F418-I421 WeakPolarHBondContact O-CB 3.17Å; F418-I421 PolarHBondContact O-N 3.37Å; F418-W485 AromaticContact CD1-CZ2 3.99Å; F418-W485 HydrophobicContact CD1-CZ2 3.99Å; F418-W485 AromaticContact CD1-NE1 3.96Å; F418-W485 AromaticContact CD2-NE1 3.25Å; F418-W485 AromaticContact CE1-CZ2 3.95Å; F418-W485 HydrophobicContact CE1-CZ2 3.95Å; F418-W485 AromaticContact CE1-NE1 3.97Å; F418-W485 AromaticContact CE2-CD1 3.87Å; F418-W485 AromaticContact CE2-NE1 3.25Å; F418-W485 VanDerWaalsContact CE2-NE1 3.25Å; F418-W485 HydrophobicContact CG-CZ2 4.41Å; F418-W485 AromaticContact CG-NE1 3.64Å; F418-W485 HydrophobicContact CZ-CZ2 4.34Å; F418-W485 AromaticContact CZ-NE1 3.63Å; F418-M489 HydrophobicContact CB-CE 4.04Å; F418-M489 HydrophobicContact CB-SD 3.98Å
419	D	84.5	Confident	83.7	Confident	133 Å²	133	61.3 Å²	61.3	71%	0.711	32%	0.321	S	S	*	.	H	α-helix	trans	-59.6	-27.4	176.3	-65.2	-21.2	0	0	0	112.5	T417 I421 S422 S423	T417-D419 VanDerWaalsContact C-N 3.25Å; T417-D419 PolarHBondContact O-N 2.85Å; D419-I421 VanDerWaalsContact C-N 3.32Å; D419-I421 PolarHBondContact O-N 2.92Å; D419-S422 PolarHBondContact O-N 2.58Å; D419-S423 PolarHBondContact O-N 2.94Å
420	E	84.9	Confident	83.2	Confident	107 Å²	107	64.2 Å²	64.2	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-66.3	-35.6	175.5	-60	-177.4	-179.7	0	0	111.5	F413 T417 F418 S422 S423 L424	F413-E420 HydrophobicContact CE1-CB 4.45Å; T417-E420 WeakPolarHBondContact O-CB 3.44Å; T417-E420 PolarHBondContact O-N 2.77Å; T417-E420 VanDerWaalsContact O-N 3.1Å; F418-E420 PolarHBondContact O-N 3.04Å; F418-E420 VanDerWaalsContact O-N 3.14Å; E420-S422 VanDerWaalsContact C-N 3.33Å; E420-S422 PolarHBondContact O-N 3.49Å; E420-S423 PolarHBondContact O-N 3.36Å; E420-S423 PolarHBondContact O-OG 3.33Å; E420-L424 VanDerWaalsContact O-CG 3.32Å; E420-L424 WeakPolarHBondContact O-CG 3.2Å; E420-L424 PolarHBondContact O-N 3.07Å
421	I	83.4	Confident	82.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-42.2	-179.9	-65	171.7	0	0	0	110.6	L406 F413 F418 D419 S423 L424 L425 T442 L446 W485 M489	L406-I421 HydrophobicContact CD2-CD1 4.27Å; F413-I421 HydrophobicContact CB-CD1 3.8Å; F413-I421 HydrophobicContact CB-CG1 4.47Å; F413-I421 HydrophobicContact CD1-CD1 4.09Å; F413-I421 HydrophobicContact CD1-CG1 3.82Å; F413-I421 HydrophobicContact CD2-CD1 3.97Å; F413-I421 HydrophobicContact CD2-CG1 4.13Å; F413-I421 HydrophobicContact CE1-CG1 4.01Å; F413-I421 HydrophobicContact CE2-CG1 4.29Å; F413-I421 HydrophobicContact CG-CD1 3.68Å; F413-I421 HydrophobicContact CG-CG1 3.88Å; F413-I421 HydrophobicContact CZ-CG1 4.23Å; F418-I421 HydrophobicContact CD1-CD1 3.8Å; F418-I421 HydrophobicContact CE1-CD1 4.41Å; F418-I421 WeakPolarHBondContact O-CB 3.17Å; F418-I421 PolarHBondContact O-N 3.37Å; D419-I421 VanDerWaalsContact C-N 3.32Å; D419-I421 PolarHBondContact O-N 2.92Å; I421-S423 VanDerWaalsContact C-N 3.25Å; I421-S423 PolarHBondContact O-N 3.4Å; I421-L424 PolarHBondContact O-N 3.31Å; I421-L425 HydrophobicContact CG2-CD1 3.74Å; I421-L425 HydrophobicContact CG2-CG 4.5Å; I421-L425 WeakPolarHBondContact O-CB 3.17Å; I421-L425 WeakPolarHBondContact O-CD1 3.48Å; I421-L425 PolarHBondContact O-N 3.26Å; I421-T442 HydrophobicContact CG2-CG2 3.91Å; I421-L446 HydrophobicContact CG2-CD1 4.04Å; I421-L446 HydrophobicContact CG2-CD2 4.25Å; I421-W485 HydrophobicContact CD1-CH2 3.91Å; I421-W485 HydrophobicContact CD1-CZ2 3.59Å; I421-M489 HydrophobicContact CB-SD 3.94Å; I421-M489 HydrophobicContact CG2-CB 4.24Å; I421-M489 HydrophobicContact CG2-CG 4.1Å; I421-M489 HydrophobicContact CG2-SD 4.09Å
422	S	81.3	Confident	80.9	Confident	27 Å²	27	66.7 Å²	66.7	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-39	178.3	-29.6	0	0	0	0	111.1	D419 E420 R426	D419-S422 PolarHBondContact O-N 2.58Å; E420-S422 VanDerWaalsContact C-N 3.33Å; E420-S422 PolarHBondContact O-N 3.49Å; S422-R426 WeakPolarHBondContact O-CG 3.41Å; S422-R426 PolarHBondContact O-N 3.11Å
423	S	82.5	Confident	79.2	Confident	59 Å²	59	67.1 Å²	67.1	41%	0.413	35%	0.352	S	S	.	.	H	α-helix	trans	-69.4	-42.4	176	79.2	0	0	0	0	112.4	D419 E420 I421 L425 R426 L427	D419-S423 PolarHBondContact O-N 2.94Å; E420-S423 PolarHBondContact O-N 3.36Å; E420-S423 PolarHBondContact O-OG 3.33Å; I421-S423 VanDerWaalsContact C-N 3.25Å; I421-S423 PolarHBondContact O-N 3.4Å; S423-L425 VanDerWaalsContact C-N 3.33Å; S423-L425 PolarHBondContact O-N 2.91Å; S423-R426 PolarHBondContact O-N 3.31Å; S423-L427 WeakPolarHBondContact O-CG 3.01Å; S423-L427 PolarHBondContact O-N 3.4Å; S423-L427 VanDerWaalsContact O-N 3.09Å
424	L	81.9	Confident	77.2	Confident	31 Å²	31	76.5 Å²	76.5	16%	0.162	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-37.8	177.8	-69.9	169.3	0	0	0	111.8	F413 E420 I421 L427 A428 Q439	F413-L424 HydrophobicContact CE1-CD1 4.37Å; F413-L424 HydrophobicContact CZ-CD1 3.99Å; E420-L424 VanDerWaalsContact O-CG 3.32Å; E420-L424 WeakPolarHBondContact O-CG 3.2Å; E420-L424 PolarHBondContact O-N 3.07Å; I421-L424 PolarHBondContact O-N 3.31Å; L424-L427 PolarHBondContact O-N 3.1Å; L424-A428 WeakPolarHBondContact O-CB 3.24Å; L424-A428 PolarHBondContact O-N 3.3Å; L424-Q439 HydrophobicContact CB-CG 4.45Å; L424-Q439 HydrophobicContact CD2-CG 3.57Å
425	L	79.9	Confident	75.2	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.005	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-48.4	174.9	-85.5	154.8	0	0	0	112.1	I421 S423 L427 A428 F429 F443 L446 M489 P506	I421-L425 HydrophobicContact CG2-CD1 3.74Å; I421-L425 HydrophobicContact CG2-CG 4.5Å; I421-L425 WeakPolarHBondContact O-CB 3.17Å; I421-L425 WeakPolarHBondContact O-CD1 3.48Å; I421-L425 PolarHBondContact O-N 3.26Å; S423-L425 VanDerWaalsContact C-N 3.33Å; S423-L425 PolarHBondContact O-N 2.91Å; L425-L427 PolarHBondContact O-N 3.48Å; L425-A428 PolarHBondContact O-N 3.41Å; L425-F429 HydrophobicContact CD2-CE2 4.28Å; L425-F429 WeakPolarHBondContact O-CD2 3.47Å; L425-F429 PolarHBondContact O-N 2.95Å; L425-F429 VanDerWaalsContact O-N 3.09Å; L425-F443 HydrophobicContact CD2-CB 4.41Å; L425-F443 HydrophobicContact CD2-CD2 3.85Å; L425-L446 HydrophobicContact CD1-CD2 3.46Å; L425-L446 VanDerWaalsContact CD1-CD2 3.46Å; L425-L446 HydrophobicContact CD2-CD2 4.41Å; L425-L446 HydrophobicContact CG-CD2 4.44Å; L425-M489 HydrophobicContact CD1-CB 4.02Å; L425-P506 HydrophobicContact CB-CG 4.06Å
426	R	79.3	Confident	73.8	Confident	161 Å²	161	78.3 Å²	78.3	61%	0.608	42%	0.424	S	S	*	.	H	α-helix	trans	-58	-40.9	177	-73.3	179.7	-175.9	175.2	4.4	111.4	S422 S423 S430 P506	S422-R426 WeakPolarHBondContact O-CG 3.41Å; S422-R426 PolarHBondContact O-N 3.11Å; S423-R426 PolarHBondContact O-N 3.31Å; R426-S430 WeakPolarHBondContact O-CB 3.29Å; R426-S430 PolarHBondContact O-N 3.09Å; R426-S430 VanDerWaalsContact O-N 3.13Å; R426-S430 PolarHBondContact O-OG 3.39Å; R426-P506 HydrophobicContact CG-CB 3.91Å
427	L	79.6	Confident	73	Confident	81 Å²	81	71.7 Å²	71.7	42%	0.424	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-47.7	175.5	-75.2	164.3	0	0	0	112	S423 L424 L425 F429 S430 S431	S423-L427 WeakPolarHBondContact O-CG 3.01Å; S423-L427 PolarHBondContact O-N 3.4Å; S423-L427 VanDerWaalsContact O-N 3.09Å; L424-L427 PolarHBondContact O-N 3.1Å; L425-L427 PolarHBondContact O-N 3.48Å; L427-F429 VanDerWaalsContact C-N 3.25Å; L427-F429 PolarHBondContact O-N 2.75Å; L427-S430 WeakPolarHBondContact CA-OG 3.49Å; L427-S430 PolarHBondContact O-N 3.3Å; L427-S430 PolarHBondContact O-OG 3.32Å; L427-S431 PolarHBondContact O-N 2.93Å; L427-S431 VanDerWaalsContact O-N 3.15Å; L427-S431 PolarHBondContact O-OG 3.12Å
428	A	75.8	Confident	72.2	Confident	22 Å²	22	73 Å²	73	18%	0.182	41%	0.405	C	S	.	.	H	α-helix	trans	-58.3	-35.2	179.8	0	0	0	0	0	113.2	L424 L425 S431 Q439 F443	L424-A428 WeakPolarHBondContact O-CB 3.24Å; L424-A428 PolarHBondContact O-N 3.3Å; L425-A428 PolarHBondContact O-N 3.41Å; A428-S431 VanDerWaalsContact O-O 3.09Å; A428-Q439 HydrophobicContact CB-CB 4.36Å; A428-F443 HydrophobicContact CB-CB 4.31Å
429	F	74.6	Confident	71.5	Confident	31 Å²	31	74.8 Å²	74.8	14%	0.136	41%	0.413	C	S	.	.	H	α-helix	trans	-82.8	-20.9	176.9	-83.7	-76	0	0	0	114.5	L425 L427 F443 L491 D505 P506 L507	L425-F429 HydrophobicContact CD2-CE2 4.28Å; L425-F429 WeakPolarHBondContact O-CD2 3.47Å; L425-F429 PolarHBondContact O-N 2.95Å; L425-F429 VanDerWaalsContact O-N 3.09Å; L427-F429 VanDerWaalsContact C-N 3.25Å; L427-F429 PolarHBondContact O-N 2.75Å; F429-F443 HydrophobicContact CD2-CD2 4.43Å; F429-F443 HydrophobicContact CE1-CE2 4.11Å; F429-F443 HydrophobicContact CE1-CZ 4.22Å; F429-F443 AromaticContact CE2-CD2 3.52Å; F429-F443 HydrophobicContact CE2-CD2 3.52Å; F429-F443 AromaticContact CE2-CE2 3.35Å; F429-F443 HydrophobicContact CE2-CE2 3.35Å; F429-F443 HydrophobicContact CE2-CZ 4.23Å; F429-F443 AromaticContact CZ-CD2 3.78Å; F429-F443 HydrophobicContact CZ-CD2 3.78Å; F429-F443 AromaticContact CZ-CE2 3.1Å; F429-F443 HydrophobicContact CZ-CE2 3.1Å; F429-F443 AromaticContact CZ-CZ 3.6Å; F429-F443 HydrophobicContact CZ-CZ 3.6Å; F429-L491 HydrophobicContact CE2-CD1 3.97Å; F429-L491 HydrophobicContact CZ-CD1 4.12Å; F429-D505 HydrophobicContact CD1-CB 4.07Å; F429-D505 WeakPolarHBondContact CD1-OD2 3.19Å; F429-D505 HydrophobicContact CD2-CB 4.35Å; F429-D505 HydrophobicContact CE1-CB 3.61Å; F429-D505 WeakPolarHBondContact CE1-OD2 3.41Å; F429-D505 HydrophobicContact CE2-CB 3.92Å; F429-D505 HydrophobicContact CG-CB 4.4Å; F429-D505 HydrophobicContact CZ-CB 3.49Å; F429-D505 VanDerWaalsContact CZ-CB 3.49Å; F429-P506 HydrophobicContact CD2-CG 4.09Å; F429-P506 HydrophobicContact CE2-CG 4.31Å; F429-L507 HydrophobicContact CB-CD1 3.75Å; F429-L507 HydrophobicContact CB-CG 4.16Å
430	S	74.2	Confident	71.2	Confident	82 Å²	82	69.3 Å²	69.3	57%	0.573	39%	0.386	S	S	*	.	H	α-helix	trans	-84.7	-19.5	178.4	67.3	0	0	0	0	113.9	R426 L427	R426-S430 WeakPolarHBondContact O-CB 3.29Å; R426-S430 PolarHBondContact O-N 3.09Å; R426-S430 VanDerWaalsContact O-N 3.13Å; R426-S430 PolarHBondContact O-OG 3.39Å; L427-S430 WeakPolarHBondContact CA-OG 3.49Å; L427-S430 PolarHBondContact O-N 3.3Å; L427-S430 PolarHBondContact O-OG 3.32Å
431	S	62.9	Low	71.2	Confident	43 Å²	43	66.3 Å²	66.3	30%	0.301	37%	0.373	S	S	.	.	S	Bend	trans	-126.8	123.5	-177.3	30.2	0	0	0	0	110.7	L427 A428 L433	L427-S431 PolarHBondContact O-N 2.93Å; L427-S431 VanDerWaalsContact O-N 3.15Å; L427-S431 PolarHBondContact O-OG 3.12Å; A428-S431 VanDerWaalsContact O-O 3.09Å; S431-L433 PolarHBondContact O-N 3.36Å; S431-L433 WeakPolarHBondContact OG-CD1 3.3Å
432	D	56.9	Low	71.3	Confident	176 Å²	176	66.4 Å²	66.4	94%	0.941	37%	0.373	S	S	*	.			trans	-65.8	78	170.8	-77	-31.2	0	0	0	109.4
433	L	53.4	Low	71.6	Confident	78 Å²	78	66.8 Å²	66.8	41%	0.408	37%	0.372	S	S	.	.			trans	-92.8	102.9	-178.8	-82.4	156.1	0	0	0	110	S431 A435	S431-L433 PolarHBondContact O-N 3.36Å; S431-L433 WeakPolarHBondContact OG-CD1 3.3Å; L433-A435 VanDerWaalsContact C-N 3.32Å
434	E	49.7	Very low	71.9	Confident	202 Å²	202	67.2 Å²	67.2	94%	0.944	37%	0.366	S	S	*	.			trans	-76.5	-13.9	174	-66.6	-171	157.2	0	0	113.6
435	A	48.3	Very low	72.3	Confident	55 Å²	55	65.7 Å²	65.7	46%	0.455	36%	0.358	S	S	.	.	S	Bend	trans	-88.7	148.3	-177.6	0	0	0	0	0	113.1	L433 S437	L433-A435 VanDerWaalsContact C-N 3.32Å; A435-S437 PolarHBondContact O-N 3.45Å
436	P	56.7	Low	72.9	Confident	132 Å²	132	65.7 Å²	65.7	86%	0.857	36%	0.358	S	S	*	.			trans	-73.5	74.9	177.1	31.8	-33.2	0	0	0	110.3
437	S	69.4	Low	73.5	Confident	35 Å²	35	58.8 Å²	58.8	25%	0.245	33%	0.333	C	S	.	.			trans	-84.8	158.3	169.6	65.9	0	0	0	0	110.1	A435 Q439 S440 L441	A435-S437 PolarHBondContact O-N 3.45Å; S437-Q439 PolarHBondContact O-N 3.15Å; S437-Q439 VanDerWaalsContact O-N 3.07Å; S437-S440 WeakPolarHBondContact O-CB 3.17Å; S437-S440 PolarHBondContact O-N 3.43Å; S437-S440 PolarHBondContact OG-N 2.95Å; S437-L441 PolarHBondContact O-N 3.23Å; S437-L441 VanDerWaalsContact O-N 3.14Å
438	T	69.9	Low	74.2	Confident	64 Å²	64	54.9 Å²	54.9	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-51.6	-32.4	173.8	-41.7	0	0	0	0	111.7	V411 L441 T442	V411-T438 HydrophobicContact CG2-CG2 4.07Å; T438-L441 PolarHBondContact O-N 3.09Å; T438-T442 WeakPolarHBondContact O-CB 3.43Å; T438-T442 PolarHBondContact O-N 3.15Å; T438-T442 PolarHBondContact O-OG1 3.4Å
439	Q	73.2	Confident	75	Confident	50 Å²	50	54 Å²	54	23%	0.234	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-48.4	174.7	-64.3	159.3	-4.5	0	0	112	L424 A428 S437 L441 T442 F443	L424-Q439 HydrophobicContact CB-CG 4.45Å; L424-Q439 HydrophobicContact CD2-CG 3.57Å; A428-Q439 HydrophobicContact CB-CB 4.36Å; S437-Q439 PolarHBondContact O-N 3.15Å; S437-Q439 VanDerWaalsContact O-N 3.07Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-L441 PolarHBondContact O-N 3.29Å; Q439-T442 PolarHBondContact O-N 3.02Å; Q439-F443 PolarHBondContact O-N 2.99Å
440	S	78.2	Confident	75.9	Confident	19 Å²	19	52.5 Å²	52.5	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-41.3	177.8	-174.6	0	0	0	0	111.8	S437 K444	S437-S440 WeakPolarHBondContact O-CB 3.17Å; S437-S440 PolarHBondContact O-N 3.43Å; S437-S440 PolarHBondContact OG-N 2.95Å; S440-K444 WeakPolarHBondContact O-CB 3.24Å; S440-K444 VanDerWaalsContact O-CG 3.31Å; S440-K444 WeakPolarHBondContact O-CG 3.29Å; S440-K444 PolarHBondContact O-N 3.02Å; S440-K444 PolarHBondContact OG-NZ 2.93Å; S440-K444 VanDerWaalsContact OG-NZ 3.13Å
441	L	84.4	Confident	76.9	Confident	44 Å²	44	48.6 Å²	48.6	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-67.9	-41.9	178.4	-166.3	73.4	0	0	0	111.7	L408 S437 T438 Q439 K444 A445 L623	L408-L441 HydrophobicContact CB-CD2 4Å; L408-L441 WeakPolarHBondContact O-CD2 3.45Å; S437-L441 PolarHBondContact O-N 3.23Å; S437-L441 VanDerWaalsContact O-N 3.14Å; T438-L441 PolarHBondContact O-N 3.09Å; Q439-L441 VanDerWaalsContact C-N 3.34Å; Q439-L441 PolarHBondContact O-N 3.29Å; L441-K444 PolarHBondContact O-N 3.44Å; L441-A445 WeakPolarHBondContact O-CB 3.44Å; L441-A445 PolarHBondContact O-N 3.47Å; L441-L623 HydrophobicContact CD1-CD2 4.44Å
442	T	85.5	Confident	78.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176.2	-54.7	0	0	0	0	110.7	L408 I421 T438 Q439 A445 L446	L408-T442 HydrophobicContact CD1-CG2 4.36Å; L408-T442 WeakPolarHBondContact CD1-OG1 3.48Å; I421-T442 HydrophobicContact CG2-CG2 3.91Å; T438-T442 WeakPolarHBondContact O-CB 3.43Å; T438-T442 PolarHBondContact O-N 3.15Å; T438-T442 PolarHBondContact O-OG1 3.4Å; Q439-T442 PolarHBondContact O-N 3.02Å; T442-A445 PolarHBondContact O-N 3.21Å; T442-L446 HydrophobicContact CG2-CD1 3.94Å; T442-L446 WeakPolarHBondContact O-CD1 3.24Å; T442-L446 PolarHBondContact O-N 2.89Å
443	F	86.6	Confident	79.9	Confident	35 Å²	35	38.3 Å²	38.3	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-51.2	175.9	171.4	-112	0	0	0	112	L425 A428 F429 Q439 A445 L446 E447 L491	L425-F443 HydrophobicContact CD2-CB 4.41Å; L425-F443 HydrophobicContact CD2-CD2 3.85Å; A428-F443 HydrophobicContact CB-CB 4.31Å; F429-F443 HydrophobicContact CD2-CD2 4.43Å; F429-F443 HydrophobicContact CE1-CE2 4.11Å; F429-F443 HydrophobicContact CE1-CZ 4.22Å; F429-F443 AromaticContact CE2-CD2 3.52Å; F429-F443 HydrophobicContact CE2-CD2 3.52Å; F429-F443 AromaticContact CE2-CE2 3.35Å; F429-F443 HydrophobicContact CE2-CE2 3.35Å; F429-F443 HydrophobicContact CE2-CZ 4.23Å; F429-F443 AromaticContact CZ-CD2 3.78Å; F429-F443 HydrophobicContact CZ-CD2 3.78Å; F429-F443 AromaticContact CZ-CE2 3.1Å; F429-F443 HydrophobicContact CZ-CE2 3.1Å; F429-F443 AromaticContact CZ-CZ 3.6Å; F429-F443 HydrophobicContact CZ-CZ 3.6Å; Q439-F443 PolarHBondContact O-N 2.99Å; F443-A445 VanDerWaalsContact C-N 3.26Å; F443-A445 PolarHBondContact O-N 3.21Å; F443-L446 PolarHBondContact O-N 3.07Å; F443-E447 HydrophobicContact CE2-CB 4.32Å; F443-E447 HydrophobicContact CZ-CB 4.29Å; F443-E447 HydrophobicContact CZ-CG 4.39Å; F443-E447 VanDerWaalsContact O-CB 3.31Å; F443-E447 WeakPolarHBondContact O-CB 3.34Å; F443-E447 PolarHBondContact O-N 3.02Å; F443-L491 HydrophobicContact CE2-CD1 4.1Å
444	K	89.1	Confident	81.4	Confident	68 Å²	68	36.8 Å²	36.8	30%	0.296	21%	0.205	S	C	.	.	H	α-helix	trans	-59.8	-36	178.7	-74.6	167.1	-179.6	160.3	0	112.6	S440 L441 A448 L623	S440-K444 WeakPolarHBondContact O-CB 3.24Å; S440-K444 VanDerWaalsContact O-CG 3.31Å; S440-K444 WeakPolarHBondContact O-CG 3.29Å; S440-K444 PolarHBondContact O-N 3.02Å; S440-K444 PolarHBondContact OG-NZ 2.93Å; S440-K444 VanDerWaalsContact OG-NZ 3.13Å; L441-K444 PolarHBondContact O-N 3.44Å; K444-A448 WeakPolarHBondContact O-CB 3.25Å; K444-A448 PolarHBondContact O-N 3.28Å; K444-L623 HydrophobicContact CB-CD2 4.23Å
445	A	91.5	Very high	83.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-48.1	176.1	0	0	0	0	0	111.5	L408 L441 T442 F443 A448 L449 C624	L408-A445 HydrophobicContact CD2-CB 3.67Å; L441-A445 WeakPolarHBondContact O-CB 3.44Å; L441-A445 PolarHBondContact O-N 3.47Å; T442-A445 PolarHBondContact O-N 3.21Å; F443-A445 VanDerWaalsContact C-N 3.26Å; F443-A445 PolarHBondContact O-N 3.21Å; A445-A448 PolarHBondContact O-N 2.97Å; A445-L449 WeakPolarHBondContact O-CG 3.43Å; A445-L449 PolarHBondContact O-N 3.04Å; A445-L449 VanDerWaalsContact O-N 3.1Å; A445-C624 HydrophobicContact CB-CB 3.98Å
446	L	91.4	Very high	84.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-41.4	176.7	-89.8	83	0	0	0	112.4	L406 I421 L425 T442 F443 A448 L449 V450 W485 M489	L406-L446 HydrophobicContact CD2-CD1 4.27Å; I421-L446 HydrophobicContact CG2-CD1 4.04Å; I421-L446 HydrophobicContact CG2-CD2 4.25Å; L425-L446 HydrophobicContact CD1-CD2 3.46Å; L425-L446 VanDerWaalsContact CD1-CD2 3.46Å; L425-L446 HydrophobicContact CD2-CD2 4.41Å; L425-L446 HydrophobicContact CG-CD2 4.44Å; T442-L446 HydrophobicContact CG2-CD1 3.94Å; T442-L446 WeakPolarHBondContact O-CD1 3.24Å; T442-L446 PolarHBondContact O-N 2.89Å; F443-L446 PolarHBondContact O-N 3.07Å; L446-A448 VanDerWaalsContact C-N 3.3Å; L446-A448 PolarHBondContact O-N 3.38Å; L446-L449 WeakPolarHBondContact O-CB 3.48Å; L446-L449 PolarHBondContact O-N 2.63Å; L446-L449 VanDerWaalsContact O-N 3.14Å; L446-V450 PolarHBondContact O-N 3.3Å; L446-W485 HydrophobicContact CD1-CH2 3.96Å; L446-W485 HydrophobicContact CD1-CZ3 4.12Å; L446-W485 HydrophobicContact CD2-CH2 4.45Å; L446-W485 HydrophobicContact CD2-CZ3 4.28Å; L446-W485 HydrophobicContact CG-CH2 4.21Å; L446-W485 HydrophobicContact CG-CZ3 3.91Å; L446-M489 HydrophobicContact CD2-CB 3.86Å; L446-M489 HydrophobicContact CD2-CG 4.39Å
447	E	92	Very high	86.2	Confident	16 Å²	16	21.8 Å²	21.8	8%	0.075	12%	0.119	C	C	.	.	H	α-helix	trans	-57.2	-45.4	175	-174.6	-176.2	-155.2	0	0	110.5	F443 L449 V450 L451 Y513 Y543	F443-E447 HydrophobicContact CE2-CB 4.32Å; F443-E447 HydrophobicContact CZ-CB 4.29Å; F443-E447 HydrophobicContact CZ-CG 4.39Å; F443-E447 VanDerWaalsContact O-CB 3.31Å; F443-E447 WeakPolarHBondContact O-CB 3.34Å; F443-E447 PolarHBondContact O-N 3.02Å; E447-L449 VanDerWaalsContact C-N 3.34Å; E447-L449 PolarHBondContact O-N 3.15Å; E447-V450 PolarHBondContact O-N 2.77Å; E447-L451 HydrophobicContact CG-CD1 3.62Å; E447-L451 HydrophobicContact CG-CG 4.28Å; E447-L451 WeakPolarHBondContact O-CB 3.42Å; E447-L451 VanDerWaalsContact O-CG 3.28Å; E447-L451 WeakPolarHBondContact O-CG 3.45Å; E447-L451 PolarHBondContact O-N 3.44Å; E447-Y513 PolarHBondContact OE1-OH 2.67Å; E447-Y543 PolarHBondContact OE2-OH 3.32Å
448	A	93.9	Very high	86.5	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-39.3	175.7	0	0	0	0	0	113.1	K444 A445 L446 C452 Y543 V578 L623	K444-A448 WeakPolarHBondContact O-CB 3.25Å; K444-A448 PolarHBondContact O-N 3.28Å; A445-A448 PolarHBondContact O-N 2.97Å; L446-A448 VanDerWaalsContact C-N 3.3Å; L446-A448 PolarHBondContact O-N 3.38Å; A448-C452 WeakPolarHBondContact O-CB 3.27Å; A448-C452 PolarHBondContact O-N 3.2Å; A448-Y543 HydrophobicContact CB-CD1 3.43Å; A448-Y543 VanDerWaalsContact CB-CD1 3.43Å; A448-Y543 HydrophobicContact CB-CE1 3.52Å; A448-Y543 HydrophobicContact CB-CG 4.29Å; A448-V578 HydrophobicContact CB-CG1 3.77Å; A448-L623 HydrophobicContact CB-CD1 3.57Å
449	L	93.3	Very high	86.3	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-39.3	177.6	-69.6	176.1	0	0	0	112.5	A445 L446 E447 N453 L482 W485 V578 T626	A445-L449 WeakPolarHBondContact O-CG 3.43Å; A445-L449 PolarHBondContact O-N 3.04Å; A445-L449 VanDerWaalsContact O-N 3.1Å; L446-L449 WeakPolarHBondContact O-CB 3.48Å; L446-L449 PolarHBondContact O-N 2.63Å; L446-L449 VanDerWaalsContact O-N 3.14Å; E447-L449 VanDerWaalsContact C-N 3.34Å; E447-L449 PolarHBondContact O-N 3.15Å; L449-N453 PolarHBondContact O-ND2 2.97Å; L449-L482 HydrophobicContact CD1-CD2 4.43Å; L449-L482 HydrophobicContact CD2-CD1 4.34Å; L449-L482 HydrophobicContact CD2-CD2 4Å; L449-W485 HydrophobicContact CD1-CE3 4.5Å; L449-W485 HydrophobicContact CD1-CZ3 4.02Å; L449-V578 HydrophobicContact CD2-CG2 3.78Å; L449-T626 HydrophobicContact CD1-CG2 4.25Å; L449-T626 HydrophobicContact CD2-CG2 3.99Å
450	V	93.5	Very high	85.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-82.3	-25.9	-179.2	-179.4	0	0	0	0	113	L446 E447 N453 A486 L491 L493 I503	L446-V450 PolarHBondContact O-N 3.3Å; E447-V450 PolarHBondContact O-N 2.77Å; V450-N453 WeakPolarHBondContact CA-ND2 3.42Å; V450-N453 PolarHBondContact O-ND2 3Å; V450-A486 HydrophobicContact CG2-CB 3.33Å; V450-L491 HydrophobicContact CB-CD2 4.13Å; V450-L491 HydrophobicContact CG2-CD2 3.92Å; V450-L493 HydrophobicContact CG1-CB 4.05Å; V450-L493 HydrophobicContact CG1-CD1 4.24Å; V450-I503 HydrophobicContact CG1-CG2 3.62Å
451	L	94.2	Very high	84.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-86.4	-43	176.5	-64.8	176.5	0	0	0	112.2	E447 N453 R496 I501 I503 Y513 V532 Y543	E447-L451 HydrophobicContact CG-CD1 3.62Å; E447-L451 HydrophobicContact CG-CG 4.28Å; E447-L451 WeakPolarHBondContact O-CB 3.42Å; E447-L451 VanDerWaalsContact O-CG 3.28Å; E447-L451 WeakPolarHBondContact O-CG 3.45Å; E447-L451 PolarHBondContact O-N 3.44Å; L451-N453 PolarHBondContact O-N 3.46Å; L451-N453 VanDerWaalsContact O-N 3.1Å; L451-R496 PolarHBondContact O-NH1 3.48Å; L451-I501 HydrophobicContact CD2-CB 4.34Å; L451-I501 HydrophobicContact CD2-CD1 4.26Å; L451-I501 HydrophobicContact CD2-CG2 3.93Å; L451-I503 HydrophobicContact CD2-CG2 4.4Å; L451-Y513 HydrophobicContact CD1-CD1 3.92Å; L451-Y513 HydrophobicContact CD1-CE1 3.71Å; L451-Y513 HydrophobicContact CD1-CG 4.41Å; L451-Y513 HydrophobicContact CD2-CD1 4.2Å; L451-Y513 HydrophobicContact CD2-CD2 3.84Å; L451-Y513 HydrophobicContact CD2-CE2 4.21Å; L451-Y513 HydrophobicContact CD2-CG 3.85Å; L451-V532 HydrophobicContact CD1-CG2 4.23Å; L451-Y543 HydrophobicContact CB-CD2 4.33Å; L451-Y543 HydrophobicContact CB-CE2 4.43Å; L451-Y543 HydrophobicContact CD1-CD2 4.41Å; L451-Y543 HydrophobicContact CD1-CE2 3.73Å
452	C	93.8	Very high	83.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.007	20%	0.2	C	C	.	.	S	Bend	trans	-87.3	67.7	-178.4	-163.1	0	0	0	0	111.8	A448 I530 K545	A448-C452 WeakPolarHBondContact O-CB 3.27Å; A448-C452 PolarHBondContact O-N 3.2Å; C452-I530 HydrophobicContact CB-CG2 3.89Å; C452-K545 VanDerWaalsContact O-CD 3.24Å; C452-K545 WeakPolarHBondContact O-CD 3.32Å; C452-K545 WeakPolarHBondContact O-CE 3.35Å; C452-K545 PolarHBondContact O-NZ 3.49Å
453	N	90.8	Very high	81.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-147.7	-177.1	172.2	60.7	61.4	0	0	0	110.7	L449 V450 L451 V455 E479 V483 R496 M528	L449-N453 PolarHBondContact O-ND2 2.97Å; V450-N453 WeakPolarHBondContact CA-ND2 3.42Å; V450-N453 PolarHBondContact O-ND2 3Å; L451-N453 PolarHBondContact O-N 3.46Å; L451-N453 VanDerWaalsContact O-N 3.1Å; N453-V455 HydrophobicContact CB-CG2 4Å; N453-V455 PolarHBondContact OD1-N 3.19Å; N453-E479 HydrophobicContact CB-CB 4.34Å; N453-V483 HydrophobicContact CB-CG2 4.23Å; N453-V483 WeakPolarHBondContact ND2-CG2 3.35Å; N453-R496 PolarHBondContact O-NH1 3.27Å; N453-R496 PolarHBondContact O-NH2 3.18Å; N453-R496 PolarHBondContact OD1-NH1 2.95Å; N453-R496 VanDerWaalsContact OD1-NH1 3.09Å; N453-M528 WeakPolarHBondContact O-CE 3.42Å
454	N	85.1	Confident	79.4	Confident	47 Å²	47	51.1 Å²	51.1	25%	0.251	26%	0.258	S	S	.	.			trans	-122.7	30.6	169.6	-79.7	-20.8	0	0	0	111	E479 M528	N454-E479 PolarHBondContact N-OE2 2.76Å; N454-M528 VanDerWaalsContact OD1-CE 3.31Å; N454-M528 WeakPolarHBondContact OD1-CE 3.12Å
455	V	88.2	Confident	77.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-79.8	123.3	-177.7	-175.6	0	0	0	0	110.1	N453 Y472 Q473 A474 E479 V483 L493 R496	N453-V455 HydrophobicContact CB-CG2 4Å; N453-V455 PolarHBondContact OD1-N 3.19Å; V455-Y472 HydrophobicContact CG1-CD1 3.74Å; V455-Y472 HydrophobicContact CG1-CG 4.05Å; V455-Q473 CarbonylContact C-O 3.57Å; V455-Q473 WeakPolarHBondContact CA-O 3.43Å; V455-A474 HydrophobicContact CB-CB 4.22Å; V455-A474 HydrophobicContact CG1-CB 4.47Å; V455-A474 HydrophobicContact CG2-CB 3.78Å; V455-E479 HydrophobicContact CG2-CB 3.83Å; V455-V483 HydrophobicContact CB-CB 4.43Å; V455-V483 HydrophobicContact CB-CG1 4.49Å; V455-V483 HydrophobicContact CB-CG2 4.06Å; V455-V483 HydrophobicContact CG1-CB 4.39Å; V455-V483 HydrophobicContact CG1-CG1 4.26Å; V455-V483 HydrophobicContact CG2-CB 4.05Å; V455-V483 HydrophobicContact CG2-CG2 3.52Å; V455-L493 HydrophobicContact CB-CD2 4.18Å; V455-L493 HydrophobicContact CG1-CD2 4.41Å; V455-L493 VanDerWaalsContact O-CD2 3.32Å; V455-L493 WeakPolarHBondContact O-CD2 3.46Å; V455-R496 WeakPolarHBondContact O-CD 3.5Å
456	T	83	Confident	75.3	Confident	53 Å²	53	57.5 Å²	57.5	33%	0.325	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.3	171.4	-51.5	0	0	0	0	109.3	Q473	T456-Q473 PolarHBondContact N-O 3Å; T456-Q473 PolarHBondContact O-N 2.93Å
457	P	83.7	Confident	73.5	Confident	20 Å²	20	60.8 Å²	60.8	13%	0.13	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.7	170.7	27.7	-29.5	0	0	0	109.9	Y472 L493 L494	P457-Y472 HydrophobicContact CB-CD1 4.21Å; P457-Y472 HydrophobicContact CB-CE1 4.06Å; P457-L493 HydrophobicContact CG-CG 4.43Å; P457-L494 VanDerWaalsContact CG-O 3.27Å; P457-L494 WeakPolarHBondContact CG-O 3.45Å
458	V	74.5	Confident	71.5	Confident	37 Å²	37	64.8 Å²	64.8	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.8	175.5	-178.8	0	0	0	0	108.8	S471 Q473	V458-S471 PolarHBondContact N-O 2.8Å; V458-S471 PolarHBondContact O-N 3.33Å; V458-S471 PolarHBondContact O-OG 2.99Å; V458-Q473 HydrophobicContact CB-CG 4.37Å; V458-Q473 HydrophobicContact CG2-CB 4.16Å; V458-Q473 HydrophobicContact CG2-CG 3.71Å
459	Q	67.4	Low	69.6	Low	142 Å²	142	71.5 Å²	71.5	66%	0.664	38%	0.384	S	S	*	.			trans	-86.4	125.2	169.8	-76	174.2	-35.8	0	0	108
460	D	60.3	Low	68.3	Low	71 Å²	71	74 Å²	74	38%	0.38	39%	0.393	S	S	.	.			trans	-77	123.2	170.5	-71.7	-39.1	0	0	0	108.1	K165 D462 N463	K165-D460 IonicContact NZ-OD1 2.72Å; D460-D462 PolarHBondContact O-N 2.81Å; D460-N463 PolarHBondContact O-N 2.81Å
461	E	54.1	Low	67.6	Low	181 Å²	181	75.8 Å²	75.8	85%	0.846	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-57.2	-22.2	-175.1	-65.1	-177.6	165.3	0	0	113
462	D	53	Low	67.1	Low	154 Å²	154	77.2 Å²	77.2	82%	0.824	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-79.1	-14.4	-176.9	-67.2	-33.3	0	0	0	114.1	D460	D460-D462 PolarHBondContact O-N 2.81Å
463	N	47.6	Very low	66.3	Low	89 Å²	89	78.1 Å²	78.1	48%	0.476	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-131.9	50.2	-171.3	-77.1	-27.8	0	0	0	113.5	D460 A465 D466	D460-N463 PolarHBondContact O-N 2.81Å; N463-A465 PolarHBondContact O-N 3.13Å; N463-D466 PolarHBondContact O-N 2.8Å
464	E	47.1	Very low	65.7	Low	191 Å²	191	78.2 Å²	78.2	89%	0.893	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.2	175.9	-72	-172.2	152.8	0	0	114.3
465	A	46.5	Very low	65.2	Low	105 Å²	105	77.7 Å²	77.7	87%	0.868	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.3	-174.1	0	0	0	0	0	115.5	N463	N463-A465 PolarHBondContact O-N 3.13Å
466	D	48.2	Very low	64.8	Low	97 Å²	97	78.8 Å²	78.8	52%	0.519	42%	0.424	S	S	.	.			trans	-123.1	93.6	-173.5	-141.8	-19.7	0	0	0	111.7	N463 T468 Q469	N463-D466 PolarHBondContact O-N 2.8Å; D466-T468 PolarHBondContact O-N 2.85Å; D466-T468 PolarHBondContact OD1-OG1 2.81Å; D466-Q469 PolarHBondContact O-N 3.2Å
467	D	52.8	Low	64.7	Low	68 Å²	68	77.5 Å²	77.5	36%	0.364	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	8.9	179.5	-156.2	29	0	0	0	113.2	R470 K504	D467-R470 IonicContact OD1-CZ 3.05Å; D467-R470 IonicContact OD1-NE 3.93Å; D467-R470 PolarHBondContact OD1-NE 3.04Å; D467-R470 IonicContact OD1-NH2 3.86Å; D467-R470 PolarHBondContact OD1-NH2 2.88Å; D467-K504 IonicContact OD2-NZ 2.81Å
468	T	51.3	Low	64.8	Low	101 Å²	101	77.6 Å²	77.6	62%	0.62	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-18.9	-176.9	58.3	0	0	0	0	114	D466	D466-T468 PolarHBondContact O-N 2.85Å; D466-T468 PolarHBondContact OD1-OG1 2.81Å
469	Q	53.4	Low	65.5	Low	140 Å²	140	76.6 Å²	76.6	65%	0.654	41%	0.409	S	S	*	.			trans	-117.3	70.5	176.8	-78.6	-170.5	-18.5	0	0	112.1	D466	D466-Q469 PolarHBondContact O-N 3.2Å
470	R	66.1	Low	66.5	Low	56 Å²	56	71.6 Å²	71.6	21%	0.211	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-87.5	129.2	164.2	-69.1	-175.4	-169.9	-150	0.3	109.4	D467 L494	D467-R470 IonicContact OD1-CZ 3.05Å; D467-R470 IonicContact OD1-NE 3.93Å; D467-R470 PolarHBondContact OD1-NE 3.04Å; D467-R470 IonicContact OD1-NH2 3.86Å; D467-R470 PolarHBondContact OD1-NH2 2.88Å; R470-L494 VanDerWaalsContact CZ-CD2 3.48Å; R470-L494 VanDerWaalsContact NH1-CA 3.33Å; R470-L494 VanDerWaalsContact NH1-CD2 3.33Å; R470-L494 PolarHBondContact NH1-O 3.32Å
471	S	78.2	Confident	68	Low	38 Å²	38	68.7 Å²	68.7	27%	0.266	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.8	172.8	67.8	0	0	0	0	109.8	V458	V458-S471 PolarHBondContact N-O 2.8Å; V458-S471 PolarHBondContact O-N 3.33Å; V458-S471 PolarHBondContact O-OG 2.99Å
472	Y	84.4	Confident	69.9	Low	30 Å²	30	60.2 Å²	60.2	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.6	178.1	-71	-61.2	0	0	0	110.1	V455 P457 V483 C487 L493	V455-Y472 HydrophobicContact CG1-CD1 3.74Å; V455-Y472 HydrophobicContact CG1-CG 4.05Å; P457-Y472 HydrophobicContact CB-CD1 4.21Å; P457-Y472 HydrophobicContact CB-CE1 4.06Å; Y472-V483 HydrophobicContact CD1-CG1 4.02Å; Y472-V483 HydrophobicContact CE1-CG1 3.94Å; Y472-V483 HydrophobicContact CE2-CG1 4.45Å; Y472-V483 HydrophobicContact CG-CG1 4.33Å; Y472-C487 HydrophobicContact CE2-CB 3.93Å; Y472-C487 PolarHBondContact OH-SG 2.85Å; Y472-L493 HydrophobicContact CE1-CB 4.02Å
473	Q	76.6	Confident	71.8	Confident	20 Å²	20	52.9 Å²	52.9	9%	0.093	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.5	-176.7	-66.7	-165.7	5.5	0	0	110.1	W198 V455 T456 V458	W198-Q473 HydrophobicContact CH2-CB 3.85Å; W198-Q473 HydrophobicContact CH2-CG 3.66Å; W198-Q473 HydrophobicContact CZ3-CB 3.54Å; W198-Q473 HydrophobicContact CZ3-CG 3.79Å; V455-Q473 CarbonylContact C-O 3.57Å; V455-Q473 WeakPolarHBondContact CA-O 3.43Å; T456-Q473 PolarHBondContact N-O 3Å; T456-Q473 PolarHBondContact O-N 2.93Å; V458-Q473 HydrophobicContact CB-CG 4.37Å; V458-Q473 HydrophobicContact CG2-CB 4.16Å; V458-Q473 HydrophobicContact CG2-CG 3.71Å
474	A	78.9	Confident	73.8	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.025	29%	0.288	C	S	.	.			trans	-155.7	166.4	179.4	0	0	0	0	0	112.1	V455 S476 E479 V480	V455-A474 HydrophobicContact CB-CB 4.22Å; V455-A474 HydrophobicContact CG1-CB 4.47Å; V455-A474 HydrophobicContact CG2-CB 3.78Å; A474-S476 PolarHBondContact O-N 3.31Å; A474-E479 HydrophobicContact CB-CB 4.5Å; A474-V480 HydrophobicContact CB-CG2 3.55Å
475	S	73.3	Confident	76	Confident	35 Å²	35	42.3 Å²	42.3	25%	0.245	25%	0.248	C	C	.	.	S	Bend	trans	-64.6	-25.3	172	56.5	0	0	0	0	113.2	D197 W198	D197-S475 CarbonylContact C-O 3.46Å; D197-S475 WeakPolarHBondContact CA-O 3.11Å; D197-S475 WeakPolarHBondContact CB-O 3.45Å; W198-S475 PolarHBondContact N-O 3.37Å
476	S	80.1	Confident	78.1	Confident	23 Å²	23	37.3 Å²	37.3	16%	0.161	21%	0.206	C	C	.	.			trans	-131.4	131	178.8	-174	0	0	0	0	111.5	D197 A474 D478 E479 V480	D197-S476 WeakPolarHBondContact OD1-CA 3.49Å; D197-S476 WeakPolarHBondContact OD1-CB 3.44Å; D197-S476 PolarHBondContact OD1-OG 3.24Å; D197-S476 VanDerWaalsContact OD1-OG 3.13Å; A474-S476 PolarHBondContact O-N 3.31Å; S476-D478 PolarHBondContact O-N 3.01Å; S476-E479 PolarHBondContact O-N 3.39Å; S476-E479 VanDerWaalsContact O-N 3.14Å; S476-V480 PolarHBondContact O-N 3.05Å
477	P	82	Confident	80.1	Confident	26 Å²	26	33.8 Å²	33.8	17%	0.169	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-23.3	179.6	29.1	-35.3	0	0	0	112.5	D197 M401 E479 V480 A481	D197-P477 WeakPolarHBondContact OD1-CD 3.43Å; M401-P477 HydrophobicContact CB-CB 4.45Å; M401-P477 HydrophobicContact CE-CG 3.98Å; M401-P477 HydrophobicContact CG-CB 3.69Å; M401-P477 HydrophobicContact CG-CG 3.88Å; P477-E479 VanDerWaalsContact C-N 3.26Å; P477-E479 PolarHBondContact O-N 3.49Å; P477-V480 PolarHBondContact O-N 3.39Å; P477-A481 PolarHBondContact O-N 2.95Å
478	D	85	Confident	81.8	Confident	23 Å²	23	36.1 Å²	36.1	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-38	174.3	-64.6	4.8	0	0	0	110.2	M401 S476 A481 L482 R574	M401-D478 WeakPolarHBondContact CG-OD1 3.39Å; S476-D478 PolarHBondContact O-N 3.01Å; D478-A481 PolarHBondContact O-N 2.9Å; D478-L482 VanDerWaalsContact O-CG 3.25Å; D478-L482 WeakPolarHBondContact O-CG 3.38Å; D478-L482 PolarHBondContact O-N 2.98Å; D478-L482 VanDerWaalsContact O-N 3.15Å; D478-R574 IonicContact OD1-CZ 3.1Å; D478-R574 IonicContact OD1-NH1 3.42Å; D478-R574 PolarHBondContact OD1-NH1 3.39Å; D478-R574 IonicContact OD2-NH1 2.7Å; D478-R574 PolarHBondContact OD2-NH1 2.89Å; D478-R574 VanDerWaalsContact OD2-NH1 3.07Å
479	E	89.2	Confident	83.5	Confident	15 Å²	15	32.1 Å²	32.1	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-71.6	-38.8	175.8	-57.4	-165.1	154.1	0	0	112.5	N453 N454 V455 A474 S476 P477 A481 L482 V483 K545	N453-E479 HydrophobicContact CB-CB 4.34Å; N454-E479 PolarHBondContact N-OE2 2.76Å; V455-E479 HydrophobicContact CG2-CB 3.83Å; A474-E479 HydrophobicContact CB-CB 4.5Å; S476-E479 PolarHBondContact O-N 3.39Å; S476-E479 VanDerWaalsContact O-N 3.14Å; P477-E479 VanDerWaalsContact C-N 3.26Å; P477-E479 PolarHBondContact O-N 3.49Å; E479-A481 VanDerWaalsContact C-N 3.29Å; E479-A481 PolarHBondContact O-N 3.36Å; E479-L482 PolarHBondContact O-N 3.32Å; E479-V483 WeakPolarHBondContact O-CG2 3.49Å; E479-V483 PolarHBondContact O-N 2.94Å; E479-K545 VanDerWaalsContact CG-NZ 3.32Å; E479-K545 WeakPolarHBondContact OE1-CE 3.5Å; E479-K545 IonicContact OE1-NZ 2.94Å; E479-K545 PolarHBondContact OE1-NZ 3.37Å; E479-K545 IonicContact OE2-NZ 2.72Å
480	V	89.2	Confident	85.1	Confident	37 Å²	37	26.5 Å²	26.5	22%	0.224	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-44.2	174.5	179.2	0	0	0	0	109.9	A474 S476 P477 L482 V483 S484	A474-V480 HydrophobicContact CB-CG2 3.55Å; S476-V480 PolarHBondContact O-N 3.05Å; P477-V480 PolarHBondContact O-N 3.39Å; V480-L482 PolarHBondContact O-N 2.89Å; V480-V483 PolarHBondContact O-N 2.66Å; V480-S484 WeakPolarHBondContact O-CB 3.48Å; V480-S484 PolarHBondContact O-N 3.4Å
481	A	91.4	Very high	86.2	Confident	10 Å²	10	23.8 Å²	23.8	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-42.7	177.4	0	0	0	0	0	112.3	M401 P477 D478 E479 W485 V628	M401-A481 HydrophobicContact CB-CB 3.83Å; M401-A481 VanDerWaalsContact O-CB 3.25Å; M401-A481 WeakPolarHBondContact O-CB 3.47Å; P477-A481 PolarHBondContact O-N 2.95Å; D478-A481 PolarHBondContact O-N 2.9Å; E479-A481 VanDerWaalsContact C-N 3.29Å; E479-A481 PolarHBondContact O-N 3.36Å; A481-W485 WeakPolarHBondContact O-CB 3.46Å; A481-W485 PolarHBondContact O-N 2.9Å; A481-V628 HydrophobicContact CB-CG1 4.32Å
482	L	93	Very high	86.8	Confident	3 Å²	3	24.8 Å²	24.8	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-46.1	177.8	-68.9	166	0	0	0	111.9	F403 L449 D478 E479 V480 A486 L576 T626 V628	F403-L482 HydrophobicContact CD2-CD2 3.4Å; F403-L482 HydrophobicContact CD2-CG 4.49Å; F403-L482 HydrophobicContact CE2-CD2 3.38Å; L449-L482 HydrophobicContact CD1-CD2 4.43Å; L449-L482 HydrophobicContact CD2-CD1 4.34Å; L449-L482 HydrophobicContact CD2-CD2 4Å; D478-L482 VanDerWaalsContact O-CG 3.25Å; D478-L482 WeakPolarHBondContact O-CG 3.38Å; D478-L482 PolarHBondContact O-N 2.98Å; D478-L482 VanDerWaalsContact O-N 3.15Å; E479-L482 PolarHBondContact O-N 3.32Å; V480-L482 PolarHBondContact O-N 2.89Å; L482-A486 WeakPolarHBondContact O-CB 3.07Å; L482-A486 PolarHBondContact O-N 3Å; L482-L576 HydrophobicContact CD1-CD1 4.2Å; L482-T626 HydrophobicContact CD2-CG2 4.1Å; L482-V628 HydrophobicContact CD2-CG2 4.2Å; L482-V628 HydrophobicContact CG-CG2 4.47Å
483	V	93	Very high	87.1	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-73	-40.6	-178.5	175.3	0	0	0	0	111.7	N453 V455 Y472 E479 V480 W485 A486 C487 L493	N453-V483 HydrophobicContact CB-CG2 4.23Å; N453-V483 WeakPolarHBondContact ND2-CG2 3.35Å; V455-V483 HydrophobicContact CB-CB 4.43Å; V455-V483 HydrophobicContact CB-CG1 4.49Å; V455-V483 HydrophobicContact CB-CG2 4.06Å; V455-V483 HydrophobicContact CG1-CB 4.39Å; V455-V483 HydrophobicContact CG1-CG1 4.26Å; V455-V483 HydrophobicContact CG2-CB 4.05Å; V455-V483 HydrophobicContact CG2-CG2 3.52Å; Y472-V483 HydrophobicContact CD1-CG1 4.02Å; Y472-V483 HydrophobicContact CE1-CG1 3.94Å; Y472-V483 HydrophobicContact CE2-CG1 4.45Å; Y472-V483 HydrophobicContact CG-CG1 4.33Å; E479-V483 WeakPolarHBondContact O-CG2 3.49Å; E479-V483 PolarHBondContact O-N 2.94Å; V480-V483 PolarHBondContact O-N 2.66Å; V483-W485 VanDerWaalsContact C-N 3.33Å; V483-W485 PolarHBondContact O-N 3.37Å; V483-A486 PolarHBondContact O-N 2.72Å; V483-C487 WeakPolarHBondContact O-CB 3.26Å; V483-C487 PolarHBondContact O-N 3.36Å; V483-L493 HydrophobicContact CG1-CB 4.01Å; V483-L493 HydrophobicContact CG1-CD2 4.01Å
484	S	91	Very high	87.7	Confident	46 Å²	46	23.3 Å²	23.3	32%	0.322	14%	0.14	S	C	.	.	H	α-helix	trans	-60.2	-45.9	174.8	-169.9	0	0	0	0	110.6	V480 A486 C487 D488	V480-S484 WeakPolarHBondContact O-CB 3.48Å; V480-S484 PolarHBondContact O-N 3.4Å; S484-A486 PolarHBondContact O-N 2.88Å; S484-C487 VanDerWaalsContact O-CB 3.29Å; S484-C487 WeakPolarHBondContact O-CB 3.32Å; S484-C487 PolarHBondContact O-N 2.94Å; S484-D488 PolarHBondContact O-N 3.07Å
485	W	91.7	Very high	88.1	Confident	12 Å²	12	27.8 Å²	27.8	5%	0.045	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.3	174	79.3	0	0	0	112.3	F403 L406 F418 I421 L446 L449 A481 V483 C487 D488 M489	F403-W485 HydrophobicContact CB-CB 3.76Å; F403-W485 HydrophobicContact CB-CD2 4.43Å; F403-W485 HydrophobicContact CB-CG 3.78Å; F403-W485 HydrophobicContact CD1-CB 4.4Å; F403-W485 AromaticContact CD1-CD1 3.64Å; F403-W485 AromaticContact CD1-CD2 3.42Å; F403-W485 HydrophobicContact CD1-CD2 3.42Å; F403-W485 VanDerWaalsContact CD1-CD2 3.42Å; F403-W485 AromaticContact CD1-CE2 3.44Å; F403-W485 VanDerWaalsContact CD1-CE2 3.44Å; F403-W485 HydrophobicContact CD1-CE3 4.04Å; F403-W485 AromaticContact CD1-CG 3.55Å; F403-W485 HydrophobicContact CD1-CG 3.55Å; F403-W485 HydrophobicContact CD1-CZ2 4.08Å; F403-W485 AromaticContact CD1-NE1 3.54Å; F403-W485 AromaticContact CE1-CD2 3.69Å; F403-W485 HydrophobicContact CE1-CD2 3.69Å; F403-W485 AromaticContact CE1-CE2 3.51Å; F403-W485 AromaticContact CE1-CE3 3.95Å; F403-W485 HydrophobicContact CE1-CE3 3.95Å; F403-W485 HydrophobicContact CE1-CG 4.31Å; F403-W485 AromaticContact CE1-CH2 3.96Å; F403-W485 HydrophobicContact CE1-CH2 3.96Å; F403-W485 AromaticContact CE1-CZ2 3.65Å; F403-W485 HydrophobicContact CE1-CZ2 3.65Å; F403-W485 HydrophobicContact CE1-CZ3 4.08Å; F403-W485 HydrophobicContact CE2-CE3 4.45Å; F403-W485 HydrophobicContact CG-CB 4.12Å; F403-W485 AromaticContact CG-CD2 3.89Å; F403-W485 HydrophobicContact CG-CD2 3.89Å; F403-W485 HydrophobicContact CG-CE3 4.34Å; F403-W485 AromaticContact CG-CG 3.76Å; F403-W485 HydrophobicContact CG-CG 3.76Å; F403-W485 HydrophobicContact CZ-CD2 4.34Å; F403-W485 HydrophobicContact CZ-CE3 4.16Å; F403-W485 HydrophobicContact CZ-CH2 4.31Å; F403-W485 HydrophobicContact CZ-CZ2 4.44Å; F403-W485 HydrophobicContact CZ-CZ3 4.15Å; L406-W485 HydrophobicContact CD2-CH2 3.81Å; F418-W485 AromaticContact CD1-CZ2 3.99Å; F418-W485 HydrophobicContact CD1-CZ2 3.99Å; F418-W485 AromaticContact CD1-NE1 3.96Å; F418-W485 AromaticContact CD2-NE1 3.25Å; F418-W485 AromaticContact CE1-CZ2 3.95Å; F418-W485 HydrophobicContact CE1-CZ2 3.95Å; F418-W485 AromaticContact CE1-NE1 3.97Å; F418-W485 AromaticContact CE2-CD1 3.87Å; F418-W485 AromaticContact CE2-NE1 3.25Å; F418-W485 VanDerWaalsContact CE2-NE1 3.25Å; F418-W485 HydrophobicContact CG-CZ2 4.41Å; F418-W485 AromaticContact CG-NE1 3.64Å; F418-W485 HydrophobicContact CZ-CZ2 4.34Å; F418-W485 AromaticContact CZ-NE1 3.63Å; I421-W485 HydrophobicContact CD1-CH2 3.91Å; I421-W485 HydrophobicContact CD1-CZ2 3.59Å; L446-W485 HydrophobicContact CD1-CH2 3.96Å; L446-W485 HydrophobicContact CD1-CZ3 4.12Å; L446-W485 HydrophobicContact CD2-CH2 4.45Å; L446-W485 HydrophobicContact CD2-CZ3 4.28Å; L446-W485 HydrophobicContact CG-CH2 4.21Å; L446-W485 HydrophobicContact CG-CZ3 3.91Å; L449-W485 HydrophobicContact CD1-CE3 4.5Å; L449-W485 HydrophobicContact CD1-CZ3 4.02Å; A481-W485 WeakPolarHBondContact O-CB 3.46Å; A481-W485 PolarHBondContact O-N 2.9Å; V483-W485 VanDerWaalsContact C-N 3.33Å; V483-W485 PolarHBondContact O-N 3.37Å; W485-C487 VanDerWaalsContact C-N 3.26Å; W485-C487 PolarHBondContact O-N 3.45Å; W485-D488 WeakPolarHBondContact O-CB 3.43Å; W485-D488 PolarHBondContact O-N 3.02Å; W485-M489 HydrophobicContact CD2-CG 4.18Å; W485-M489 HydrophobicContact CH2-CG 4.13Å; W485-M489 HydrophobicContact CZ2-CG 3.73Å; W485-M489 HydrophobicContact CZ2-SD 4.17Å; W485-M489 WeakPolarHBondContact O-CG 3.41Å; W485-M489 PolarHBondContact O-N 3.26Å
486	A	91.3	Very high	88.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-35	175.9	0	0	0	0	0	112.4	V450 L482 V483 S484 M489 G490 L491	V450-A486 HydrophobicContact CG2-CB 3.33Å; L482-A486 WeakPolarHBondContact O-CB 3.07Å; L482-A486 PolarHBondContact O-N 3Å; V483-A486 PolarHBondContact O-N 2.72Å; S484-A486 PolarHBondContact O-N 2.88Å; A486-M489 PolarHBondContact O-N 2.87Å; A486-G490 PolarHBondContact O-N 2.75Å; A486-L491 CarbonylContact C-O 3.55Å; A486-L491 PolarHBondContact O-N 3.39Å
487	C	89.7	Confident	88.8	Confident	23 Å²	23	28.9 Å²	28.9	16%	0.155	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-45.4	172.7	-172.1	0	0	0	0	111.3	Y472 V483 S484 W485 M489 G490 L491	Y472-C487 HydrophobicContact CE2-CB 3.93Å; Y472-C487 PolarHBondContact OH-SG 2.85Å; V483-C487 WeakPolarHBondContact O-CB 3.26Å; V483-C487 PolarHBondContact O-N 3.36Å; S484-C487 VanDerWaalsContact O-CB 3.29Å; S484-C487 WeakPolarHBondContact O-CB 3.32Å; S484-C487 PolarHBondContact O-N 2.94Å; W485-C487 VanDerWaalsContact C-N 3.26Å; W485-C487 PolarHBondContact O-N 3.45Å; C487-M489 PolarHBondContact O-N 3.45Å; C487-G490 WeakPolarHBondContact O-CA 3.31Å; C487-G490 PolarHBondContact O-N 3.1Å; C487-L491 WeakPolarHBondContact CA-O 3.48Å; C487-L491 PolarHBondContact N-O 2.97Å
488	D	88.4	Confident	88.7	Confident	116 Å²	116	33.5 Å²	33.5	62%	0.62	18%	0.181	S	C	*	.	H	α-helix	trans	-61.2	-34.1	176.3	-64	-24.4	0	0	0	111.9	S484 W485 G490	S484-D488 PolarHBondContact O-N 3.07Å; W485-D488 WeakPolarHBondContact O-CB 3.43Å; W485-D488 PolarHBondContact O-N 3.02Å; D488-G490 PolarHBondContact O-N 3.32Å
489	M	88.3	Confident	88.8	Confident	17 Å²	17	37.4 Å²	37.4	8%	0.084	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.1	175.2	-62.8	-59.6	96.6	0	0	113.8	F418 I421 L425 L446 W485 A486 C487	F418-M489 HydrophobicContact CB-CE 4.04Å; F418-M489 HydrophobicContact CB-SD 3.98Å; I421-M489 HydrophobicContact CB-SD 3.94Å; I421-M489 HydrophobicContact CG2-CB 4.24Å; I421-M489 HydrophobicContact CG2-CG 4.1Å; I421-M489 HydrophobicContact CG2-SD 4.09Å; L425-M489 HydrophobicContact CD1-CB 4.02Å; L446-M489 HydrophobicContact CD2-CB 3.86Å; L446-M489 HydrophobicContact CD2-CG 4.39Å; W485-M489 HydrophobicContact CD2-CG 4.18Å; W485-M489 HydrophobicContact CH2-CG 4.13Å; W485-M489 HydrophobicContact CZ2-CG 3.73Å; W485-M489 HydrophobicContact CZ2-SD 4.17Å; W485-M489 WeakPolarHBondContact O-CG 3.41Å; W485-M489 PolarHBondContact O-N 3.26Å; A486-M489 PolarHBondContact O-N 2.87Å; C487-M489 PolarHBondContact O-N 3.45Å
490	G	86.6	Confident	88.8	Confident	22 Å²	22	38.4 Å²	38.4	23%	0.227	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.6	2.7	175	0	0	0	0	0	115.9	A486 C487 D488 D505	A486-G490 PolarHBondContact O-N 2.75Å; C487-G490 WeakPolarHBondContact O-CA 3.31Å; C487-G490 PolarHBondContact O-N 3.1Å; D488-G490 PolarHBondContact O-N 3.32Å; G490-D505 CarbonylContact O-C 3.55Å
491	L	89.4	Confident	89	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.			trans	-103.9	95.6	176	-152.2	89.8	0	0	0	109.8	F429 F443 V450 A486 C487 I503	F429-L491 HydrophobicContact CE2-CD1 3.97Å; F429-L491 HydrophobicContact CZ-CD1 4.12Å; F443-L491 HydrophobicContact CE2-CD1 4.1Å; V450-L491 HydrophobicContact CB-CD2 4.13Å; V450-L491 HydrophobicContact CG2-CD2 3.92Å; A486-L491 CarbonylContact C-O 3.55Å; A486-L491 PolarHBondContact O-N 3.39Å; C487-L491 WeakPolarHBondContact CA-O 3.48Å; C487-L491 PolarHBondContact N-O 2.97Å; L491-I503 HydrophobicContact CD2-CD1 4.36Å
492	K	90.7	Very high	89.1	Confident	59 Å²	59	38.2 Å²	38.2	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.4	-170.7	-52.6	-167.2	171	-177.4	0	112.1	L494 I503 K504	K492-L494 PolarHBondContact O-N 3.38Å; K492-I503 CarbonylContact O-C 3.58Å; K492-I503 VanDerWaalsContact O-CA 3.28Å; K492-I503 WeakPolarHBondContact O-CA 3.22Å; K492-K504 HydrophobicContact CB-CB 4.22Å; K492-K504 PolarHBondContact N-O 3.25Å; K492-K504 PolarHBondContact O-N 2.82Å
493	L	91.2	Very high	89.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.4	168.4	-179.2	64.7	0	0	0	109.8	V450 V455 P457 Y472 V483 I501 I503	V450-L493 HydrophobicContact CG1-CB 4.05Å; V450-L493 HydrophobicContact CG1-CD1 4.24Å; V455-L493 HydrophobicContact CB-CD2 4.18Å; V455-L493 HydrophobicContact CG1-CD2 4.41Å; V455-L493 VanDerWaalsContact O-CD2 3.32Å; V455-L493 WeakPolarHBondContact O-CD2 3.46Å; P457-L493 HydrophobicContact CG-CG 4.43Å; Y472-L493 HydrophobicContact CE1-CB 4.02Å; V483-L493 HydrophobicContact CG1-CB 4.01Å; V483-L493 HydrophobicContact CG1-CD2 4.01Å; L493-I501 HydrophobicContact CD1-CG2 3.56Å; L493-I503 HydrophobicContact CD1-CG2 4.15Å
494	L	88.5	Confident	89	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-46.4	-176.9	-68.6	178.8	0	0	0	112.9	P457 R470 K492 I502 K504 E510	P457-L494 VanDerWaalsContact CG-O 3.27Å; P457-L494 WeakPolarHBondContact CG-O 3.45Å; R470-L494 VanDerWaalsContact CZ-CD2 3.48Å; R470-L494 VanDerWaalsContact NH1-CA 3.33Å; R470-L494 VanDerWaalsContact NH1-CD2 3.33Å; R470-L494 PolarHBondContact NH1-O 3.32Å; K492-L494 PolarHBondContact O-N 3.38Å; L494-I502 HydrophobicContact CB-CB 4.46Å; L494-I502 HydrophobicContact CB-CG2 4.35Å; L494-I502 HydrophobicContact CD1-CG2 4.14Å; L494-I502 PolarHBondContact N-O 3.08Å; L494-K504 HydrophobicContact CD1-CB 3.8Å; L494-K504 HydrophobicContact CD1-CD 4.18Å; L494-K504 HydrophobicContact CD1-CG 4.31Å; L494-K504 HydrophobicContact CD2-CB 4.21Å; L494-K504 HydrophobicContact CD2-CD 4.16Å; L494-K504 HydrophobicContact CG-CB 3.88Å; L494-E510 HydrophobicContact CD1-CG 3.86Å
495	F	87.3	Confident	88.8	Confident	96 Å²	96	37.7 Å²	37.7	42%	0.421	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.9	-174.6	-180	-100.2	0	0	0	110.1	D497 I501 I502	F495-D497 HydrophobicContact CE1-CB 3.93Å; F495-D497 HydrophobicContact CZ-CB 3.87Å; F495-I501 WeakPolarHBondContact O-CA 3.25Å; F495-I502 HydrophobicContact CB-CB 4.14Å; F495-I502 HydrophobicContact CB-CD1 4.15Å; F495-I502 HydrophobicContact CB-CG1 4.26Å; F495-I502 HydrophobicContact CD1-CD1 4.21Å; F495-I502 HydrophobicContact CD1-CG1 4.39Å; F495-I502 PolarHBondContact N-O 2.73Å; F495-I502 PolarHBondContact O-N 3.18Å
496	R	86.2	Confident	88.3	Confident	17 Å²	17	38.5 Å²	38.5	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	127.3	174	-179.3	-178.9	-174.1	101.7	13.6	109.6	L451 N453 V455 T500 I501	L451-R496 PolarHBondContact O-NH1 3.48Å; N453-R496 PolarHBondContact O-NH1 3.27Å; N453-R496 PolarHBondContact O-NH2 3.18Å; N453-R496 PolarHBondContact OD1-NH1 2.95Å; N453-R496 VanDerWaalsContact OD1-NH1 3.09Å; V455-R496 WeakPolarHBondContact O-CD 3.5Å; R496-T500 WeakPolarHBondContact CA-O 2.99Å; R496-I501 HydrophobicContact CG-CG1 4.31Å; R496-I501 VanDerWaalsContact NH1-CD1 3.33Å
497	D	81.9	Confident	88	Confident	65 Å²	65	41.8 Å²	41.8	35%	0.348	22%	0.221	S	C	.	.			trans	-126.9	-163.1	164.3	67.8	15.3	0	0	0	110.4	F495 N499 T500 I515	F495-D497 HydrophobicContact CE1-CB 3.93Å; F495-D497 HydrophobicContact CZ-CB 3.87Å; D497-N499 PolarHBondContact O-N 3.07Å; D497-N499 WeakPolarHBondContact OD1-CA 3.48Å; D497-N499 PolarHBondContact OD1-N 3.36Å; D497-T500 PolarHBondContact N-O 3.43Å; D497-T500 WeakPolarHBondContact OD1-CA 3.44Å; D497-T500 WeakPolarHBondContact OD1-CB 3.48Å; D497-T500 PolarHBondContact OD1-N 2.95Å; D497-T500 PolarHBondContact OD1-OG1 3.24Å; D497-T500 PolarHBondContact OD2-OG1 2.94Å; D497-I515 WeakPolarHBondContact O-CD1 3.22Å
498	L	80	Confident	87.7	Confident	122 Å²	122	46.1 Å²	46.1	64%	0.639	24%	0.243	S	C	*	.	S	Bend	trans	-69.8	-19.5	179.3	-68.8	171.5	0	0	0	113.6	V182	V182-L498 HydrophobicContact CG1-CD1 4.21Å; V182-L498 HydrophobicContact CG2-CD1 4.13Å
499	N	86.2	Confident	87.6	Confident	105 Å²	105	47.6 Å²	47.6	56%	0.561	24%	0.24	S	C	*	.	S	Bend	trans	-121.3	-16.4	-168.2	-64.9	-20.4	0	0	0	113.9	D497 K514 I515	D497-N499 PolarHBondContact O-N 3.07Å; D497-N499 WeakPolarHBondContact OD1-CA 3.48Å; D497-N499 PolarHBondContact OD1-N 3.36Å; N499-K514 CarbonylContact O-C 3.59Å; N499-I515 PolarHBondContact O-N 2.58Å
500	T	90.7	Very high	87.8	Confident	37 Å²	37	53 Å²	53	23%	0.227	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.4	-164.1	-10.3	0	0	0	0	110.8	R496 D497 Y513	R496-T500 WeakPolarHBondContact CA-O 2.99Å; D497-T500 PolarHBondContact N-O 3.43Å; D497-T500 WeakPolarHBondContact OD1-CA 3.44Å; D497-T500 WeakPolarHBondContact OD1-CB 3.48Å; D497-T500 PolarHBondContact OD1-N 2.95Å; D497-T500 PolarHBondContact OD1-OG1 3.24Å; D497-T500 PolarHBondContact OD2-OG1 2.94Å; T500-Y513 CarbonylContact C-O 3.6Å; T500-Y513 WeakPolarHBondContact CA-O 3.43Å
501	I	93.3	Very high	87.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.6	174	-56.2	173.5	0	0	0	107.7	L451 L493 F495 R496 I503 Y513 I515 I530	L451-I501 HydrophobicContact CD2-CB 4.34Å; L451-I501 HydrophobicContact CD2-CD1 4.26Å; L451-I501 HydrophobicContact CD2-CG2 3.93Å; L493-I501 HydrophobicContact CD1-CG2 3.56Å; F495-I501 WeakPolarHBondContact O-CA 3.25Å; R496-I501 HydrophobicContact CG-CG1 4.31Å; R496-I501 VanDerWaalsContact NH1-CD1 3.33Å; I501-I503 HydrophobicContact CG2-CG2 4.11Å; I501-Y513 PolarHBondContact N-O 3.42Å; I501-Y513 PolarHBondContact O-N 2.63Å; I501-I515 HydrophobicContact CD1-CD1 3.85Å; I501-I515 HydrophobicContact CD1-CG1 3.85Å; I501-I515 HydrophobicContact CG1-CD1 3.63Å; I501-I515 HydrophobicContact CG1-CG1 3.74Å; I501-I530 HydrophobicContact CD1-CD1 3.98Å
502	I	93.2	Very high	88.1	Confident	42 Å²	42	54.7 Å²	54.7	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.5	175.4	-52.5	177.6	0	0	0	108.4	L494 F495 E510 Q511	L494-I502 HydrophobicContact CB-CB 4.46Å; L494-I502 HydrophobicContact CB-CG2 4.35Å; L494-I502 HydrophobicContact CD1-CG2 4.14Å; L494-I502 PolarHBondContact N-O 3.08Å; F495-I502 HydrophobicContact CB-CB 4.14Å; F495-I502 HydrophobicContact CB-CD1 4.15Å; F495-I502 HydrophobicContact CB-CG1 4.26Å; F495-I502 HydrophobicContact CD1-CD1 4.21Å; F495-I502 HydrophobicContact CD1-CG1 4.39Å; F495-I502 PolarHBondContact N-O 2.73Å; F495-I502 PolarHBondContact O-N 3.18Å; I502-E510 HydrophobicContact CG2-CB 4.31Å; I502-Q511 WeakPolarHBondContact CA-O 3.35Å
503	I	92.9	Very high	88.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149	175.8	65.3	176.1	0	0	0	110.4	V450 L451 L491 K492 L493 I501 E510 Q511 Y513	V450-I503 HydrophobicContact CG1-CG2 3.62Å; L451-I503 HydrophobicContact CD2-CG2 4.4Å; L491-I503 HydrophobicContact CD2-CD1 4.36Å; K492-I503 CarbonylContact O-C 3.58Å; K492-I503 VanDerWaalsContact O-CA 3.28Å; K492-I503 WeakPolarHBondContact O-CA 3.22Å; L493-I503 HydrophobicContact CD1-CG2 4.15Å; I501-I503 HydrophobicContact CG2-CG2 4.11Å; I503-E510 CarbonylContact O-C 3.23Å; I503-E510 WeakPolarHBondContact O-CA 3.43Å; I503-Q511 HydrophobicContact CD1-CB 4.42Å; I503-Q511 HydrophobicContact CG1-CB 3.88Å; I503-Q511 PolarHBondContact N-O 2.82Å; I503-Q511 PolarHBondContact O-N 3.4Å; I503-Y513 HydrophobicContact CD1-CD2 4.46Å; I503-Y513 HydrophobicContact CD1-CE2 3.59Å; I503-Y513 HydrophobicContact CG1-CD2 4.39Å; I503-Y513 HydrophobicContact CG1-CE2 3.8Å
504	K	90.4	Very high	88.5	Confident	34 Å²	34	57.6 Å²	57.6	15%	0.148	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.8	174	-160.2	174.2	-171.8	174.1	0	109	D467 K492 L494 N508 R509	D467-K504 IonicContact OD2-NZ 2.81Å; K492-K504 HydrophobicContact CB-CB 4.22Å; K492-K504 PolarHBondContact N-O 3.25Å; K492-K504 PolarHBondContact O-N 2.82Å; L494-K504 HydrophobicContact CD1-CB 3.8Å; L494-K504 HydrophobicContact CD1-CD 4.18Å; L494-K504 HydrophobicContact CD1-CG 4.31Å; L494-K504 HydrophobicContact CD2-CB 4.21Å; L494-K504 HydrophobicContact CD2-CD 4.16Å; L494-K504 HydrophobicContact CG-CB 3.88Å; K504-N508 WeakPolarHBondContact CE-OD1 3.39Å; K504-R509 WeakPolarHBondContact CA-O 3.32Å
505	D	86.3	Confident	88.7	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	28%	0.281	C	S	.	.			trans	-79.6	170.8	178.3	76.9	9.3	0	0	0	112.1	F429 G490 L507 N508 R509	F429-D505 HydrophobicContact CD1-CB 4.07Å; F429-D505 WeakPolarHBondContact CD1-OD2 3.19Å; F429-D505 HydrophobicContact CD2-CB 4.35Å; F429-D505 HydrophobicContact CE1-CB 3.61Å; F429-D505 WeakPolarHBondContact CE1-OD2 3.41Å; F429-D505 HydrophobicContact CE2-CB 3.92Å; F429-D505 HydrophobicContact CG-CB 4.4Å; F429-D505 HydrophobicContact CZ-CB 3.49Å; F429-D505 VanDerWaalsContact CZ-CB 3.49Å; G490-D505 CarbonylContact O-C 3.55Å; D505-L507 PolarHBondContact O-N 2.73Å; D505-L507 VanDerWaalsContact O-N 3.1Å; D505-L507 VanDerWaalsContact OD1-CA 3.29Å; D505-L507 WeakPolarHBondContact OD1-CA 3.37Å; D505-L507 WeakPolarHBondContact OD1-CB 3.39Å; D505-L507 PolarHBondContact OD1-N 2.96Å; D505-N508 PolarHBondContact O-N 3.11Å; D505-N508 PolarHBondContact OD1-N 2.93Å; D505-R509 PolarHBondContact N-O 2.77Å; D505-R509 PolarHBondContact OD1-N 3.15Å; D505-R509 WeakPolarHBondContact OD2-CB 3.49Å
506	P	82.8	Confident	89	Confident	29 Å²	29	54.3 Å²	54.3	19%	0.188	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.8	177.9	-20.4	31.3	0	0	0	114.4	L425 R426 F429	L425-P506 HydrophobicContact CB-CG 4.06Å; R426-P506 HydrophobicContact CG-CB 3.91Å; F429-P506 HydrophobicContact CD2-CG 4.09Å; F429-P506 HydrophobicContact CE2-CG 4.31Å
507	L	83.4	Confident	89.2	Confident	70 Å²	70	55.5 Å²	55.5	37%	0.366	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	11.9	176	-61.4	178.7	0	0	0	111.9	F429 D505 R509	F429-L507 HydrophobicContact CB-CD1 3.75Å; F429-L507 HydrophobicContact CB-CG 4.16Å; D505-L507 PolarHBondContact O-N 2.73Å; D505-L507 VanDerWaalsContact O-N 3.1Å; D505-L507 VanDerWaalsContact OD1-CA 3.29Å; D505-L507 WeakPolarHBondContact OD1-CA 3.37Å; D505-L507 WeakPolarHBondContact OD1-CB 3.39Å; D505-L507 PolarHBondContact OD1-N 2.96Å; L507-R509 VanDerWaalsContact C-N 3.25Å; L507-R509 HydrophobicContact CB-CG 4.3Å; L507-R509 PolarHBondContact O-N 3.46Å
508	N	83.5	Confident	89.6	Confident	114 Å²	114	54.1 Å²	54.1	61%	0.61	27%	0.269	S	S	*	.	S	Bend	trans	62	22.8	-177.3	-74.6	-32.8	0	0	0	115.2	K504 D505	K504-N508 WeakPolarHBondContact CE-OD1 3.39Å; D505-N508 PolarHBondContact O-N 3.11Å; D505-N508 PolarHBondContact OD1-N 2.93Å
509	R	87.5	Confident	90.1	Very high	147 Å²	147	48.5 Å²	48.5	56%	0.555	24%	0.24	S	C	*	.			trans	-89.7	138.4	172.8	-49	173.1	-178.7	165.6	0.5	109.5	K504 D505 L507	K504-R509 WeakPolarHBondContact CA-O 3.32Å; D505-R509 PolarHBondContact N-O 2.77Å; D505-R509 PolarHBondContact OD1-N 3.15Å; D505-R509 WeakPolarHBondContact OD2-CB 3.49Å; L507-R509 VanDerWaalsContact C-N 3.25Å; L507-R509 HydrophobicContact CB-CG 4.3Å; L507-R509 PolarHBondContact O-N 3.46Å
510	E	91.3	Very high	90	Very high	131 Å²	131	47 Å²	47	61%	0.612	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.8	177.8	-62.4	-175.8	176	0	0	110.2	L494 I502 I503	L494-E510 HydrophobicContact CD1-CG 3.86Å; I502-E510 HydrophobicContact CG2-CB 4.31Å; I503-E510 CarbonylContact O-C 3.23Å; I503-E510 WeakPolarHBondContact O-CA 3.43Å
511	Q	90.2	Very high	89.8	Confident	30 Å²	30	49.5 Å²	49.5	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.2	172.8	-58.7	-168.3	6.4	0	0	108.8	I502 I503 Y513	I502-Q511 WeakPolarHBondContact CA-O 3.35Å; I503-Q511 HydrophobicContact CD1-CB 4.42Å; I503-Q511 HydrophobicContact CG1-CB 3.88Å; I503-Q511 PolarHBondContact N-O 2.82Å; I503-Q511 PolarHBondContact O-N 3.4Å; Q511-Y513 HydrophobicContact CB-CE2 3.7Å; Q511-Y513 PolarHBondContact OE1-OH 3.46Å
512	S	93	Very high	89.1	Confident	27 Å²	27	51.9 Å²	51.9	19%	0.189	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.3	179.5	177.4	0	0	0	0	110	E535	S512-E535 WeakPolarHBondContact CB-OE2 3.12Å; S512-E535 VanDerWaalsContact O-CB 3.24Å; S512-E535 WeakPolarHBondContact O-CB 3.45Å; S512-E535 PolarHBondContact O-N 2.92Å; S512-E535 PolarHBondContact OG-OE2 2.72Å
513	Y	94.9	Very high	88	Confident	6 Å²	6	52.7 Å²	52.7	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.9	179.8	-66.6	-102	0	0	0	109	E447 L451 T500 I501 I503 Q511 V532 Q533 K534	E447-Y513 PolarHBondContact OE1-OH 2.67Å; L451-Y513 HydrophobicContact CD1-CD1 3.92Å; L451-Y513 HydrophobicContact CD1-CE1 3.71Å; L451-Y513 HydrophobicContact CD1-CG 4.41Å; L451-Y513 HydrophobicContact CD2-CD1 4.2Å; L451-Y513 HydrophobicContact CD2-CD2 3.84Å; L451-Y513 HydrophobicContact CD2-CE2 4.21Å; L451-Y513 HydrophobicContact CD2-CG 3.85Å; T500-Y513 CarbonylContact C-O 3.6Å; T500-Y513 WeakPolarHBondContact CA-O 3.43Å; I501-Y513 PolarHBondContact N-O 3.42Å; I501-Y513 PolarHBondContact O-N 2.63Å; I503-Y513 HydrophobicContact CD1-CD2 4.46Å; I503-Y513 HydrophobicContact CD1-CE2 3.59Å; I503-Y513 HydrophobicContact CG1-CD2 4.39Å; I503-Y513 HydrophobicContact CG1-CE2 3.8Å; Q511-Y513 HydrophobicContact CB-CE2 3.7Å; Q511-Y513 PolarHBondContact OE1-OH 3.46Å; Y513-V532 HydrophobicContact CD1-CB 4.49Å; Y513-V532 HydrophobicContact CD1-CG2 4.49Å; Y513-Q533 CarbonylContact C-O 3.54Å; Y513-Q533 WeakPolarHBondContact CA-O 3.48Å; Y513-K534 HydrophobicContact CD1-CB 3.92Å; Y513-K534 HydrophobicContact CD1-CG 4.42Å; Y513-K534 HydrophobicContact CE1-CB 3.72Å; Y513-K534 HydrophobicContact CE1-CD 4.14Å; Y513-K534 HydrophobicContact CE1-CG 3.99Å
514	K	94.8	Very high	87.1	Confident	114 Å²	114	61.3 Å²	61.3	50%	0.496	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.3	172.5	-168.6	174.2	-177.3	175	0	109.7	N499 L516 V532 Q533	N499-K514 CarbonylContact O-C 3.59Å; K514-L516 HydrophobicContact CD-CD2 4.47Å; K514-L516 HydrophobicContact CG-CD2 4.48Å; K514-L516 PolarHBondContact O-N 2.71Å; K514-V532 WeakPolarHBondContact O-CA 3.47Å; K514-Q533 PolarHBondContact N-O 3.36Å; K514-Q533 PolarHBondContact O-N 2.61Å
515	I	93.2	Very high	86.7	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.062	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.3	171.8	-53.5	177.8	0	0	0	107.6	D497 N499 I501 T518 I530	D497-I515 WeakPolarHBondContact O-CD1 3.22Å; N499-I515 PolarHBondContact O-N 2.58Å; I501-I515 HydrophobicContact CD1-CD1 3.85Å; I501-I515 HydrophobicContact CD1-CG1 3.85Å; I501-I515 HydrophobicContact CG1-CD1 3.63Å; I501-I515 HydrophobicContact CG1-CG1 3.74Å; I515-T518 VanDerWaalsContact CG2-OG1 3.26Å; I515-T518 WeakPolarHBondContact CG2-OG1 3.26Å; I515-I530 HydrophobicContact CD1-CD1 4.31Å; I515-I530 HydrophobicContact CG1-CD1 4.23Å; I515-I530 HydrophobicContact CG2-CD1 4.02Å; I515-I530 HydrophobicContact CG2-CG1 4.07Å
516	L	92.9	Very high	86.8	Confident	34 Å²	34	64.5 Å²	64.5	18%	0.178	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-43.5	177.2	-66.6	-177.2	0	0	0	111.2	K514 I531 Q533 I540 Y588	K514-L516 HydrophobicContact CD-CD2 4.47Å; K514-L516 HydrophobicContact CG-CD2 4.48Å; K514-L516 PolarHBondContact O-N 2.71Å; L516-I531 HydrophobicContact CB-CB 4.27Å; L516-I531 HydrophobicContact CB-CG2 4.01Å; L516-I531 HydrophobicContact CD1-CG2 4.01Å; L516-I531 PolarHBondContact N-O 3.44Å; L516-Q533 HydrophobicContact CD1-CB 4.02Å; L516-Q533 HydrophobicContact CG-CB 4.24Å; L516-I540 HydrophobicContact CD1-CD1 4.19Å; L516-I540 HydrophobicContact CD1-CG1 4.33Å; L516-I540 HydrophobicContact CD1-CG2 3.99Å; L516-Y588 HydrophobicContact CB-CE2 3.97Å; L516-Y588 HydrophobicContact CD1-CD1 4.26Å; L516-Y588 HydrophobicContact CD1-CD2 4.22Å; L516-Y588 HydrophobicContact CD1-CE1 3.91Å; L516-Y588 HydrophobicContact CD1-CE2 3.86Å; L516-Y588 HydrophobicContact CD1-CG 4.42Å
517	Q	91.5	Very high	87.2	Confident	42 Å²	42	65.3 Å²	65.3	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	134.2	179	-167.7	60.3	39.8	0	0	110.6	F519 I531 Y595	Q517-F519 HydrophobicContact CB-CZ 4.28Å; Q517-F519 HydrophobicContact CG-CD1 4.5Å; Q517-F519 HydrophobicContact CG-CE1 3.74Å; Q517-F519 HydrophobicContact CG-CE2 4.31Å; Q517-F519 HydrophobicContact CG-CZ 3.63Å; Q517-I531 HydrophobicContact CB-CB 4.41Å; Q517-I531 HydrophobicContact CB-CD1 4.19Å; Q517-I531 HydrophobicContact CB-CG1 4.49Å; Q517-I531 PolarHBondContact N-O 3.47Å; Q517-I531 PolarHBondContact O-N 3.39Å; Q517-Y595 HydrophobicContact CG-CE1 4.12Å
518	T	89.8	Confident	87.6	Confident	35 Å²	35	62 Å²	62	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.1	173.5	-51.2	0	0	0	0	110	I515 P520 M528	I515-T518 VanDerWaalsContact CG2-OG1 3.26Å; I515-T518 WeakPolarHBondContact CG2-OG1 3.26Å; T518-P520 WeakPolarHBondContact O-CD 3.41Å; T518-M528 HydrophobicContact CG2-CE 4.04Å
519	F	90.5	Very high	88.1	Confident	5 Å²	5	56.8 Å²	56.8	2%	0.022	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	94.1	171.3	-51	-73.5	0	0	0	107.7	Q517 M528 G529 I531 F542 F591 Y595 V613 L616	Q517-F519 HydrophobicContact CB-CZ 4.28Å; Q517-F519 HydrophobicContact CG-CD1 4.5Å; Q517-F519 HydrophobicContact CG-CE1 3.74Å; Q517-F519 HydrophobicContact CG-CE2 4.31Å; Q517-F519 HydrophobicContact CG-CZ 3.63Å; F519-M528 WeakPolarHBondContact O-CA 3.33Å; F519-M528 WeakPolarHBondContact O-CG 3.4Å; F519-G529 WeakPolarHBondContact CA-O 3.39Å; F519-G529 PolarHBondContact N-O 3.42Å; F519-G529 PolarHBondContact O-N 2.78Å; F519-G529 VanDerWaalsContact O-N 3.07Å; F519-I531 HydrophobicContact CE2-CD1 4.01Å; F519-I531 HydrophobicContact CE2-CG1 4.01Å; F519-I531 HydrophobicContact CZ-CD1 4.13Å; F519-F542 AromaticContact CD2-CE2 3.9Å; F519-F542 HydrophobicContact CD2-CE2 3.9Å; F519-F542 HydrophobicContact CE2-CD2 4.41Å; F519-F542 AromaticContact CE2-CE2 3.85Å; F519-F542 HydrophobicContact CE2-CE2 3.85Å; F519-F591 AromaticContact CE1-CZ 3.96Å; F519-F591 HydrophobicContact CE1-CZ 3.96Å; F519-F591 AromaticContact CZ-CE1 3.9Å; F519-F591 HydrophobicContact CZ-CE1 3.9Å; F519-F591 HydrophobicContact CZ-CE2 4.5Å; F519-F591 AromaticContact CZ-CZ 3.49Å; F519-F591 HydrophobicContact CZ-CZ 3.49Å; F519-F591 VanDerWaalsContact CZ-CZ 3.49Å; F519-Y595 HydrophobicContact CD1-CE2 4.47Å; F519-Y595 HydrophobicContact CE1-CD2 4.45Å; F519-Y595 AromaticContact CE1-CE2 3.8Å; F519-Y595 HydrophobicContact CE1-CE2 3.8Å; F519-Y595 AromaticContact CE1-CZ 3.87Å; F519-V613 HydrophobicContact CD1-CG2 3.88Å; F519-V613 HydrophobicContact CE1-CG2 3.67Å; F519-V613 HydrophobicContact CZ-CG2 4.45Å; F519-L616 HydrophobicContact CE2-CD1 4.04Å; F519-L616 HydrophobicContact CZ-CD1 3.99Å
520	P	84.9	Confident	88.5	Confident	72 Å²	72	49.8 Å²	49.8	47%	0.468	25%	0.248	S	C	.	.			trans	-61.4	150.6	-172.5	24.6	-34	0	0	0	111.5	T518 T522 R525	T518-P520 WeakPolarHBondContact O-CD 3.41Å; P520-T522 PolarHBondContact O-N 3.4Å; P520-R525 PolarHBondContact O-NH2 3.3Å
521	F	86.4	Confident	88.7	Confident	90 Å²	90	43.5 Å²	43.5	40%	0.395	22%	0.219	S	C	.	.			trans	-57.4	134.1	173.2	178.8	-93.4	0	0	0	110.5	M528	F521-M528 HydrophobicContact CB-CB 4.19Å
522	T	77.2	Confident	88.9	Confident	51 Å²	51	42.2 Å²	42.2	31%	0.313	21%	0.213	S	C	.	.			trans	-129.8	144.9	168.1	65.3	0	0	0	0	109.9	P520 E524 R525 K526	P520-T522 PolarHBondContact O-N 3.4Å; T522-E524 PolarHBondContact O-N 3.17Å; T522-R525 PolarHBondContact O-N 2.86Å; T522-R525 VanDerWaalsContact O-N 3.15Å; T522-R525 WeakPolarHBondContact OG1-CB 3.36Å; T522-R525 VanDerWaalsContact OG1-CG 3.31Å; T522-R525 WeakPolarHBondContact OG1-CG 3.46Å; T522-R525 PolarHBondContact OG1-N 2.9Å; T522-R525 PolarHBondContact OG1-NE 2.99Å; T522-K526 PolarHBondContact O-N 3.08Å
523	S	70.7	Confident	89	Confident	59 Å²	59	43.3 Å²	43.3	41%	0.413	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.2	-179.8	-72.1	0	0	0	0	113.4	K526 K657	S523-K526 WeakPolarHBondContact O-CG 3.34Å; S523-K657 WeakPolarHBondContact OG-CE 3.3Å; S523-K657 PolarHBondContact OG-NZ 2.84Å
524	E	73.5	Confident	88.8	Confident	181 Å²	181	45.8 Å²	45.8	85%	0.846	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-44.1	174.1	-72.4	178.8	160.1	0	0	112.2	T522	T522-E524 PolarHBondContact O-N 3.17Å
525	R	83.3	Confident	88.4	Confident	43 Å²	43	46.5 Å²	46.5	16%	0.162	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-24	-177.4	-61.6	-172.5	-55.4	177.2	7.4	113.3	P520 T522 R527	P520-R525 PolarHBondContact O-NH2 3.3Å; T522-R525 PolarHBondContact O-N 2.86Å; T522-R525 VanDerWaalsContact O-N 3.15Å; T522-R525 WeakPolarHBondContact OG1-CB 3.36Å; T522-R525 VanDerWaalsContact OG1-CG 3.31Å; T522-R525 WeakPolarHBondContact OG1-CG 3.46Å; T522-R525 PolarHBondContact OG1-N 2.9Å; T522-R525 PolarHBondContact OG1-NE 2.99Å; R525-R527 HydrophobicContact CB-CG 4.17Å; R525-R527 WeakPolarHBondContact O-CG 3.21Å; R525-R527 PolarHBondContact O-N 3.28Å; R525-R527 VanDerWaalsContact O-N 3.07Å
526	K	86.7	Confident	88	Confident	62 Å²	62	50.1 Å²	50.1	27%	0.27	27%	0.271	S	S	.	.			trans	51.5	27.3	-176.3	-55.8	179.5	167.8	-173.8	0	114.2	T522 S523 G546 A547 V550 E659	T522-K526 PolarHBondContact O-N 3.08Å; S523-K526 WeakPolarHBondContact O-CG 3.34Å; K526-G546 WeakPolarHBondContact O-CA 3.38Å; K526-A547 HydrophobicContact CB-CB 4.2Å; K526-A547 PolarHBondContact O-N 3.06Å; K526-V550 HydrophobicContact CB-CG2 4Å; K526-V550 HydrophobicContact CD-CG2 4.08Å; K526-E659 IonicContact NZ-OE1 2.68Å; K526-E659 PolarHBondContact NZ-OE1 3.34Å
527	R	91.6	Very high	87.7	Confident	47 Å²	47	51.1 Å²	51.1	18%	0.177	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.2	179.4	66.5	-165.1	179.5	-125.6	1.8	111.3	R525 I544 K545 E617	R525-R527 HydrophobicContact CB-CG 4.17Å; R525-R527 WeakPolarHBondContact O-CG 3.21Å; R525-R527 PolarHBondContact O-N 3.28Å; R525-R527 VanDerWaalsContact O-N 3.07Å; R527-I544 HydrophobicContact CG-CD1 4.47Å; R527-K545 CarbonylContact C-O 3.48Å; R527-K545 VanDerWaalsContact CA-O 3.27Å; R527-K545 WeakPolarHBondContact CA-O 3.36Å; R527-K545 WeakPolarHBondContact CB-O 3.24Å; R527-E617 IonicContact CZ-OE1 2.73Å; R527-E617 IonicContact CZ-OE2 3.14Å; R527-E617 IonicContact NE-OE1 3.32Å; R527-E617 PolarHBondContact NE-OE1 3.28Å; R527-E617 IonicContact NE-OE2 2.82Å; R527-E617 VanDerWaalsContact NH2-CD 3.32Å; R527-E617 IonicContact NH2-OE1 3.4Å; R527-E617 PolarHBondContact NH2-OE1 3Å; R527-E617 IonicContact NH2-OE2 2.63Å; R527-E617 PolarHBondContact NH2-OE2 3.22Å
528	M	92.6	Very high	87.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.9	174.3	174.5	179.1	179.4	0	0	108.5	N453 N454 T518 F519 F521 I544 K545	N453-M528 WeakPolarHBondContact O-CE 3.42Å; N454-M528 VanDerWaalsContact OD1-CE 3.31Å; N454-M528 WeakPolarHBondContact OD1-CE 3.12Å; T518-M528 HydrophobicContact CG2-CE 4.04Å; F519-M528 WeakPolarHBondContact O-CA 3.33Å; F519-M528 WeakPolarHBondContact O-CG 3.4Å; F521-M528 HydrophobicContact CB-CB 4.19Å; M528-I544 WeakPolarHBondContact O-CA 3.29Å; M528-I544 VanDerWaalsContact O-CG1 3.29Å; M528-I544 WeakPolarHBondContact O-CG1 3.23Å; M528-K545 HydrophobicContact CB-CG 4.27Å; M528-K545 PolarHBondContact N-O 3.12Å; M528-K545 PolarHBondContact O-N 3.42Å
529	G	94	Very high	87.3	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154	173.2	0	0	0	0	0	111.8	F519 Y543	F519-G529 WeakPolarHBondContact CA-O 3.39Å; F519-G529 PolarHBondContact N-O 3.42Å; F519-G529 PolarHBondContact O-N 2.78Å; F519-G529 VanDerWaalsContact O-N 3.07Å; G529-Y543 CarbonylContact C-O 3.56Å; G529-Y543 VanDerWaalsContact CA-O 3.23Å; G529-Y543 WeakPolarHBondContact CA-O 3.47Å
530	I	95	Very high	87.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.9	174.3	-163.3	174.5	0	0	0	109.8	C452 I501 I515 V532 F542 Y543	C452-I530 HydrophobicContact CB-CG2 3.89Å; I501-I530 HydrophobicContact CD1-CD1 3.98Å; I515-I530 HydrophobicContact CD1-CD1 4.31Å; I515-I530 HydrophobicContact CG1-CD1 4.23Å; I515-I530 HydrophobicContact CG2-CD1 4.02Å; I515-I530 HydrophobicContact CG2-CG1 4.07Å; I530-V532 HydrophobicContact CD1-CG1 3.89Å; I530-V532 HydrophobicContact CG1-CG1 3.95Å; I530-V532 HydrophobicContact CG2-CG1 4.33Å; I530-F542 WeakPolarHBondContact O-CA 3.28Å; I530-F542 WeakPolarHBondContact O-CD2 3.4Å; I530-Y543 PolarHBondContact N-O 2.83Å; I530-Y543 PolarHBondContact O-N 2.87Å
531	I	95.8	Very high	87.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.4	169.9	-56	175.7	0	0	0	107.3	L516 Q517 F519 I540 F542 L583 Y588 F591 L616	L516-I531 HydrophobicContact CB-CB 4.27Å; L516-I531 HydrophobicContact CB-CG2 4.01Å; L516-I531 HydrophobicContact CD1-CG2 4.01Å; L516-I531 PolarHBondContact N-O 3.44Å; Q517-I531 HydrophobicContact CB-CB 4.41Å; Q517-I531 HydrophobicContact CB-CD1 4.19Å; Q517-I531 HydrophobicContact CB-CG1 4.49Å; Q517-I531 PolarHBondContact N-O 3.47Å; Q517-I531 PolarHBondContact O-N 3.39Å; F519-I531 HydrophobicContact CE2-CD1 4.01Å; F519-I531 HydrophobicContact CE2-CG1 4.01Å; F519-I531 HydrophobicContact CZ-CD1 4.13Å; I531-I540 HydrophobicContact CG2-CG2 3.58Å; I531-F542 HydrophobicContact CG1-CB 4.38Å; I531-F542 HydrophobicContact CG1-CD2 3.71Å; I531-F542 HydrophobicContact CG1-CG 4.44Å; I531-L583 HydrophobicContact CG2-CD1 4.49Å; I531-Y588 HydrophobicContact CD1-CD2 4.28Å; I531-Y588 HydrophobicContact CD1-CE2 4.2Å; I531-Y588 HydrophobicContact CG2-CD2 4.05Å; I531-Y588 HydrophobicContact CG2-CE2 4.08Å; I531-F591 HydrophobicContact CD1-CD1 3.98Å; I531-F591 HydrophobicContact CD1-CE1 3.74Å; I531-L616 HydrophobicContact CD1-CD1 3.82Å
532	V	95.3	Very high	88.4	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144	-179.3	-68.6	0	0	0	0	110.5	L451 Y513 K514 I530 T541 Y543	L451-V532 HydrophobicContact CD1-CG2 4.23Å; Y513-V532 HydrophobicContact CD1-CB 4.49Å; Y513-V532 HydrophobicContact CD1-CG2 4.49Å; K514-V532 WeakPolarHBondContact O-CA 3.47Å; I530-V532 HydrophobicContact CD1-CG1 3.89Å; I530-V532 HydrophobicContact CG1-CG1 3.95Å; I530-V532 HydrophobicContact CG2-CG1 4.33Å; V532-T541 PolarHBondContact N-O 3.41Å; V532-T541 PolarHBondContact O-N 3.14Å; V532-Y543 HydrophobicContact CG2-CD2 3.77Å; V532-Y543 HydrophobicContact CG2-CE2 3.73Å
533	Q	94.7	Very high	89.3	Confident	50 Å²	50	49 Å²	49	23%	0.234	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.2	169.7	-178	178.5	10.2	0	0	108.7	Y513 K514 L516 T537 I540	Y513-Q533 CarbonylContact C-O 3.54Å; Y513-Q533 WeakPolarHBondContact CA-O 3.48Å; K514-Q533 PolarHBondContact N-O 3.36Å; K514-Q533 PolarHBondContact O-N 2.61Å; L516-Q533 HydrophobicContact CD1-CB 4.02Å; L516-Q533 HydrophobicContact CG-CB 4.24Å; Q533-T537 PolarHBondContact NE2-O 3.31Å; Q533-I540 HydrophobicContact CB-CG1 4.31Å; Q533-I540 HydrophobicContact CG-CG1 4.21Å
534	K	91.1	Very high	90.5	Very high	57 Å²	57	46.2 Å²	46.2	25%	0.248	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126	177.2	176.6	171.6	-175.6	159.2	0	110.2	Y513 G536 T537 E539	Y513-K534 HydrophobicContact CD1-CB 3.92Å; Y513-K534 HydrophobicContact CD1-CG 4.42Å; Y513-K534 HydrophobicContact CE1-CB 3.72Å; Y513-K534 HydrophobicContact CE1-CD 4.14Å; Y513-K534 HydrophobicContact CE1-CG 3.99Å; K534-G536 PolarHBondContact O-N 2.91Å; K534-T537 WeakPolarHBondContact CB-OG1 3.31Å; K534-T537 PolarHBondContact O-N 3.43Å; K534-T537 VanDerWaalsContact O-N 3.08Å; K534-T537 PolarHBondContact O-OG1 3.37Å; K534-E539 PolarHBondContact N-O 2.98Å
535	E	86.6	Confident	91.5	Very high	130 Å²	130	38.1 Å²	38.1	61%	0.607	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	133.4	-175.1	-152.1	169.1	-150.5	0	0	110.6	S512 T537	S512-E535 WeakPolarHBondContact CB-OE2 3.12Å; S512-E535 VanDerWaalsContact O-CB 3.24Å; S512-E535 WeakPolarHBondContact O-CB 3.45Å; S512-E535 PolarHBondContact O-N 2.92Å; S512-E535 PolarHBondContact OG-OE2 2.72Å; E535-T537 VanDerWaalsContact C-N 3.35Å
536	G	83.5	Confident	91.9	Very high	87 Å²	87	36.2 Å²	36.2	90%	0.897	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-4.8	-171.7	0	0	0	0	0	115.3	K534	K534-G536 PolarHBondContact O-N 2.91Å
537	T	86.1	Confident	92	Very high	56 Å²	56	34.4 Å²	34.4	34%	0.344	20%	0.195	S	C	.	.	S	Bend	trans	-129.7	154.2	175.1	66.2	0	0	0	0	111.6	Q533 K534 E535 E539	Q533-T537 PolarHBondContact NE2-O 3.31Å; K534-T537 WeakPolarHBondContact CB-OG1 3.31Å; K534-T537 PolarHBondContact O-N 3.43Å; K534-T537 VanDerWaalsContact O-N 3.08Å; K534-T537 PolarHBondContact O-OG1 3.37Å; E535-T537 VanDerWaalsContact C-N 3.35Å; T537-E539 PolarHBondContact O-N 3.42Å
538	D	83.8	Confident	91.8	Very high	131 Å²	131	33.7 Å²	33.7	70%	0.701	20%	0.195	S	C	*	.			trans	-85.6	17.3	170.9	-77.5	-26.8	0	0	0	112.5	I540	D538-I540 PolarHBondContact O-N 3.16Å
539	E	89	Confident	91.4	Very high	102 Å²	102	38.6 Å²	38.6	48%	0.477	23%	0.225	S	C	.	.			trans	-80.8	110.8	-179.5	-165.9	176.7	-178.8	0	0	110.6	K534 T537	K534-E539 PolarHBondContact N-O 2.98Å; T537-E539 PolarHBondContact O-N 3.42Å
540	I	94.5	Very high	91.2	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.1	175.3	-56.9	175.5	0	0	0	108.4	L516 I531 Q533 D538 L583 V585 Y588	L516-I540 HydrophobicContact CD1-CD1 4.19Å; L516-I540 HydrophobicContact CD1-CG1 4.33Å; L516-I540 HydrophobicContact CD1-CG2 3.99Å; I531-I540 HydrophobicContact CG2-CG2 3.58Å; Q533-I540 HydrophobicContact CB-CG1 4.31Å; Q533-I540 HydrophobicContact CG-CG1 4.21Å; D538-I540 PolarHBondContact O-N 3.16Å; I540-L583 HydrophobicContact CB-CB 4.4Å; I540-L583 HydrophobicContact CG2-CB 4.18Å; I540-L583 HydrophobicContact CG2-CD1 4.39Å; I540-L583 PolarHBondContact O-N 3.08Å; I540-V585 HydrophobicContact CD1-CG2 4.27Å; I540-Y588 HydrophobicContact CD1-CD1 4.09Å; I540-Y588 HydrophobicContact CD1-CG 4.05Å
541	T	95.3	Very high	91	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.7	179.2	-55.7	0	0	0	0	110.7	V532 Y543 K580	V532-T541 PolarHBondContact N-O 3.41Å; V532-T541 PolarHBondContact O-N 3.14Å; T541-Y543 HydrophobicContact CG2-CD1 4.3Å; T541-Y543 HydrophobicContact CG2-CD2 4.12Å; T541-Y543 HydrophobicContact CG2-CE1 3.88Å; T541-Y543 HydrophobicContact CG2-CE2 3.69Å; T541-Y543 HydrophobicContact CG2-CG 4.41Å; T541-K580 HydrophobicContact CG2-CB 4.17Å; T541-K580 HydrophobicContact CG2-CD 4.16Å
542	F	95.7	Very high	90.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.9	167.9	174.6	-123.7	0	0	0	109.2	F519 I530 I531 I544 K580 K581 L583 L616 L620	F519-F542 AromaticContact CD2-CE2 3.9Å; F519-F542 HydrophobicContact CD2-CE2 3.9Å; F519-F542 HydrophobicContact CE2-CD2 4.41Å; F519-F542 AromaticContact CE2-CE2 3.85Å; F519-F542 HydrophobicContact CE2-CE2 3.85Å; I530-F542 WeakPolarHBondContact O-CA 3.28Å; I530-F542 WeakPolarHBondContact O-CD2 3.4Å; I531-F542 HydrophobicContact CG1-CB 4.38Å; I531-F542 HydrophobicContact CG1-CD2 3.71Å; I531-F542 HydrophobicContact CG1-CG 4.44Å; F542-I544 HydrophobicContact CE1-CB 4.23Å; F542-I544 HydrophobicContact CE1-CD1 4.34Å; F542-I544 HydrophobicContact CZ-CB 4.11Å; F542-I544 HydrophobicContact CZ-CD1 4.08Å; F542-I544 HydrophobicContact CZ-CG1 4.35Å; F542-K580 CarbonylContact O-C 3.53Å; F542-K580 VanDerWaalsContact O-CA 3.23Å; F542-K580 WeakPolarHBondContact O-CA 3.44Å; F542-K581 HydrophobicContact CB-CB 4.45Å; F542-K581 HydrophobicContact CD1-CB 4.35Å; F542-K581 PolarHBondContact N-O 3.38Å; F542-K581 PolarHBondContact O-N 2.72Å; F542-L583 HydrophobicContact CB-CD1 3.95Å; F542-L583 HydrophobicContact CB-CG 4.43Å; F542-L616 HydrophobicContact CD1-CB 4.08Å; F542-L616 HydrophobicContact CE1-CB 3.87Å; F542-L616 HydrophobicContact CZ-CB 4.25Å; F542-L620 HydrophobicContact CD1-CD2 3.85Å; F542-L620 HydrophobicContact CE1-CD2 3.98Å
543	Y	96.4	Very high	90.3	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.7	172.6	-68.4	-71.2	0	0	0	110.1	E447 A448 L451 G529 I530 V532 T541 K580 L623	E447-Y543 PolarHBondContact OE2-OH 3.32Å; A448-Y543 HydrophobicContact CB-CD1 3.43Å; A448-Y543 VanDerWaalsContact CB-CD1 3.43Å; A448-Y543 HydrophobicContact CB-CE1 3.52Å; A448-Y543 HydrophobicContact CB-CG 4.29Å; L451-Y543 HydrophobicContact CB-CD2 4.33Å; L451-Y543 HydrophobicContact CB-CE2 4.43Å; L451-Y543 HydrophobicContact CD1-CD2 4.41Å; L451-Y543 HydrophobicContact CD1-CE2 3.73Å; G529-Y543 CarbonylContact C-O 3.56Å; G529-Y543 VanDerWaalsContact CA-O 3.23Å; G529-Y543 WeakPolarHBondContact CA-O 3.47Å; I530-Y543 PolarHBondContact N-O 2.83Å; I530-Y543 PolarHBondContact O-N 2.87Å; V532-Y543 HydrophobicContact CG2-CD2 3.77Å; V532-Y543 HydrophobicContact CG2-CE2 3.73Å; T541-Y543 HydrophobicContact CG2-CD1 4.3Å; T541-Y543 HydrophobicContact CG2-CD2 4.12Å; T541-Y543 HydrophobicContact CG2-CE1 3.88Å; T541-Y543 HydrophobicContact CG2-CE2 3.69Å; T541-Y543 HydrophobicContact CG2-CG 4.41Å; Y543-K580 HydrophobicContact CD1-CB 3.64Å; Y543-K580 HydrophobicContact CE1-CB 3.71Å; Y543-K580 HydrophobicContact CE1-CD 3.97Å; Y543-K580 HydrophobicContact CE1-CG 4.48Å; Y543-L623 HydrophobicContact CD1-CD1 4.36Å; Y543-L623 HydrophobicContact CE1-CD1 4.15Å
544	I	95.6	Very high	90	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	139.7	176.3	-162.3	171.7	0	0	0	110.3	R527 M528 F542 L551 V578 A579 E617 L620	R527-I544 HydrophobicContact CG-CD1 4.47Å; M528-I544 WeakPolarHBondContact O-CA 3.29Å; M528-I544 VanDerWaalsContact O-CG1 3.29Å; M528-I544 WeakPolarHBondContact O-CG1 3.23Å; F542-I544 HydrophobicContact CE1-CB 4.23Å; F542-I544 HydrophobicContact CE1-CD1 4.34Å; F542-I544 HydrophobicContact CZ-CB 4.11Å; F542-I544 HydrophobicContact CZ-CD1 4.08Å; F542-I544 HydrophobicContact CZ-CG1 4.35Å; I544-L551 HydrophobicContact CD1-CD2 3.93Å; I544-L551 HydrophobicContact CG1-CD2 4.18Å; I544-L551 HydrophobicContact CG2-CD2 3.98Å; I544-V578 WeakPolarHBondContact O-CA 3.4Å; I544-A579 HydrophobicContact CG2-CB 3.83Å; I544-A579 PolarHBondContact N-O 3.15Å; I544-A579 PolarHBondContact O-N 3.41Å; I544-E617 HydrophobicContact CD1-CG 4.07Å; I544-L620 HydrophobicContact CD1-CD1 4.49Å; I544-L620 HydrophobicContact CG2-CD1 3.91Å; I544-L620 HydrophobicContact CG2-CD2 3.88Å; I544-L620 HydrophobicContact CG2-CG 4.47Å
545	K	94.7	Very high	90	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149	170.4	72	178.6	-178.7	-170	0	111	C452 E479 R527 M528 V577 V578	C452-K545 VanDerWaalsContact O-CD 3.24Å; C452-K545 WeakPolarHBondContact O-CD 3.32Å; C452-K545 WeakPolarHBondContact O-CE 3.35Å; C452-K545 PolarHBondContact O-NZ 3.49Å; E479-K545 VanDerWaalsContact CG-NZ 3.32Å; E479-K545 WeakPolarHBondContact OE1-CE 3.5Å; E479-K545 IonicContact OE1-NZ 2.94Å; E479-K545 PolarHBondContact OE1-NZ 3.37Å; E479-K545 IonicContact OE2-NZ 2.72Å; R527-K545 CarbonylContact C-O 3.48Å; R527-K545 VanDerWaalsContact CA-O 3.27Å; R527-K545 WeakPolarHBondContact CA-O 3.36Å; R527-K545 WeakPolarHBondContact CB-O 3.24Å; M528-K545 HydrophobicContact CB-CG 4.27Å; M528-K545 PolarHBondContact N-O 3.12Å; M528-K545 PolarHBondContact O-N 3.42Å; K545-V577 VanDerWaalsContact CA-O 3.3Å; K545-V577 WeakPolarHBondContact CA-O 3.28Å; K545-V578 HydrophobicContact CB-CG2 4.19Å
546	G	92.6	Very high	90.2	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-178.6	-177.2	0	0	0	0	0	113.8	K526 L576 V577	K526-G546 WeakPolarHBondContact O-CA 3.38Å; G546-L576 WeakPolarHBondContact O-CD2 3.5Å; G546-V577 PolarHBondContact N-O 3.37Å; G546-V577 VanDerWaalsContact N-O 3.12Å; G546-V577 PolarHBondContact O-N 2.99Å
547	A	89	Confident	90.3	Very high	24 Å²	24	45.9 Å²	45.9	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	144.2	177.8	0	0	0	0	0	111.5	K526 V549 V550 L551	K526-A547 HydrophobicContact CB-CB 4.2Å; K526-A547 PolarHBondContact O-N 3.06Å; A547-V549 PolarHBondContact O-N 3.35Å; A547-V550 PolarHBondContact O-N 2.93Å; A547-V550 VanDerWaalsContact O-N 3.1Å; A547-L551 PolarHBondContact O-N 2.99Å
548	D	86.9	Confident	90.2	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-51.5	-49.4	177	52.7	-2.6	0	0	0	113.3	V550 L551 Q552 C565 T575 V577	D548-V550 PolarHBondContact O-N 2.96Å; D548-V550 VanDerWaalsContact O-N 3.12Å; D548-L551 PolarHBondContact O-N 3.09Å; D548-Q552 VanDerWaalsContact O-CB 3.29Å; D548-Q552 WeakPolarHBondContact O-CB 3.49Å; D548-Q552 PolarHBondContact O-N 3.24Å; D548-C565 HydrophobicContact CB-CB 4.16Å; D548-C565 VanDerWaalsContact CB-SG 3.57Å; D548-T575 PolarHBondContact OD2-OG1 2.92Å; D548-T575 VanDerWaalsContact OD2-OG1 3.12Å; D548-V577 HydrophobicContact CB-CG2 3.99Å
549	V	84.5	Confident	90.3	Very high	104 Å²	104	45.6 Å²	45.6	63%	0.63	24%	0.242	S	C	*	.	H	α-helix	trans	-58.8	-30.4	-179.5	-165.1	0	0	0	0	112.5	A547	A547-V549 PolarHBondContact O-N 3.35Å
550	V	88.8	Confident	90.4	Very high	29 Å²	29	43.1 Å²	43.1	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-90	-39.7	-177.1	176.9	0	0	0	0	111.5	K526 A547 D548 P553 I554	K526-V550 HydrophobicContact CB-CG2 4Å; K526-V550 HydrophobicContact CD-CG2 4.08Å; A547-V550 PolarHBondContact O-N 2.93Å; A547-V550 VanDerWaalsContact O-N 3.1Å; D548-V550 PolarHBondContact O-N 2.96Å; D548-V550 VanDerWaalsContact O-N 3.12Å; V550-P553 WeakPolarHBondContact O-CD 3.3Å; V550-I554 HydrophobicContact CG1-CD1 4.27Å; V550-I554 WeakPolarHBondContact O-CD1 3.48Å; V550-I554 VanDerWaalsContact O-CG1 3.27Å; V550-I554 WeakPolarHBondContact O-CG1 3.24Å
551	L	91.2	Very high	90.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-82.1	-32.1	-177	-82.5	175.4	0	0	0	113	I544 A547 D548 P553 I554 V555 V577	I544-L551 HydrophobicContact CD1-CD2 3.93Å; I544-L551 HydrophobicContact CG1-CD2 4.18Å; I544-L551 HydrophobicContact CG2-CD2 3.98Å; A547-L551 PolarHBondContact O-N 2.99Å; D548-L551 PolarHBondContact O-N 3.09Å; L551-P553 VanDerWaalsContact C-N 3.35Å; L551-I554 HydrophobicContact CD2-CB 4.47Å; L551-I554 HydrophobicContact CD2-CD1 4.36Å; L551-I554 WeakPolarHBondContact O-CA 3.19Å; L551-I554 WeakPolarHBondContact O-CB 3.43Å; L551-I554 PolarHBondContact O-N 3.43Å; L551-V555 HydrophobicContact CB-CG2 4.4Å; L551-V555 WeakPolarHBondContact O-CG2 3.47Å; L551-V555 PolarHBondContact O-N 3.35Å; L551-V577 HydrophobicContact CB-CB 3.96Å; L551-V577 HydrophobicContact CB-CG1 3.99Å; L551-V577 HydrophobicContact CD1-CB 3.76Å; L551-V577 HydrophobicContact CD1-CG1 4.07Å; L551-V577 WeakPolarHBondContact CD1-O 3.43Å
552	Q	87	Confident	89.8	Confident	63 Å²	63	49.5 Å²	49.5	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-50	177.5	-98.9	-178.6	-35.3	0	0	114.8	D548 I554 L561 E562	D548-Q552 VanDerWaalsContact O-CB 3.29Å; D548-Q552 WeakPolarHBondContact O-CB 3.49Å; D548-Q552 PolarHBondContact O-N 3.24Å; Q552-I554 PolarHBondContact O-N 2.88Å; Q552-L561 HydrophobicContact CG-CD2 3.81Å; Q552-L561 HydrophobicContact CG-CG 4.22Å; Q552-E562 VanDerWaalsContact NE2-CG 3.32Å
553	P	88.5	Confident	89.5	Confident	108 Å²	108	55.7 Å²	55.7	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.7	179.2	27.6	-34.7	0	0	0	114.6	V550 L551	V550-P553 WeakPolarHBondContact O-CD 3.3Å; L551-P553 VanDerWaalsContact C-N 3.35Å
554	I	90	Very high	89.2	Confident	22 Å²	22	57 Å²	57	11%	0.113	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-34.8	-174.1	-50.3	179.7	0	0	0	111.4	V550 L551 Q552 E617 L620	V550-I554 HydrophobicContact CG1-CD1 4.27Å; V550-I554 WeakPolarHBondContact O-CD1 3.48Å; V550-I554 VanDerWaalsContact O-CG1 3.27Å; V550-I554 WeakPolarHBondContact O-CG1 3.24Å; L551-I554 HydrophobicContact CD2-CB 4.47Å; L551-I554 HydrophobicContact CD2-CD1 4.36Å; L551-I554 WeakPolarHBondContact O-CA 3.19Å; L551-I554 WeakPolarHBondContact O-CB 3.43Å; L551-I554 PolarHBondContact O-N 3.43Å; Q552-I554 PolarHBondContact O-N 2.88Å; I554-E617 VanDerWaalsContact CG2-C 3.48Å; I554-E617 HydrophobicContact CG2-CB 3.81Å; I554-E617 WeakPolarHBondContact CG2-O 3.47Å; I554-L620 HydrophobicContact CG2-CD1 3.49Å; I554-L620 VanDerWaalsContact CG2-CD1 3.49Å; I554-L620 PolarHBondContact O-N 3.15Å
555	V	91.2	Very high	88.8	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.067	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-73.3	151.6	172.3	-106.7	0	0	0	0	111	L551 Y557 L561 V577 A579 L620 L622	L551-V555 HydrophobicContact CB-CG2 4.4Å; L551-V555 WeakPolarHBondContact O-CG2 3.47Å; L551-V555 PolarHBondContact O-N 3.35Å; V555-Y557 PolarHBondContact O-N 3.2Å; V555-L561 HydrophobicContact CG2-CD2 4.08Å; V555-V577 HydrophobicContact CG2-CG1 4.35Å; V555-A579 HydrophobicContact CG1-CB 3.36Å; V555-L620 HydrophobicContact CG1-CB 4.02Å; V555-L620 WeakPolarHBondContact CG1-O 3.29Å; V555-L622 HydrophobicContact CB-CB 4.5Å; V555-L622 HydrophobicContact CG1-CB 3.92Å; V555-L622 HydrophobicContact CG1-CD1 4.28Å
556	S	89.2	Confident	88.3	Confident	50 Å²	50	58.8 Å²	58.8	35%	0.35	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-51.9	138.7	167.8	59	0	0	0	0	110.4	N558 L620	S556-N558 PolarHBondContact O-N 3.09Å; S556-N558 PolarHBondContact O-ND2 3.42Å; S556-L620 PolarHBondContact N-O 3.25Å; S556-L620 PolarHBondContact OG-O 3.34Å
557	Y	86	Confident	88.1	Confident	201 Å²	201	60.5 Å²	60.5	79%	0.788	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-51.5	133.8	179.8	179.9	-103.6	0	0	0	111.9	V555 D559	V555-Y557 PolarHBondContact O-N 3.2Å; Y557-D559 WeakPolarHBondContact CE1-OD1 3.13Å
558	N	85.3	Confident	88	Confident	53 Å²	53	59.5 Å²	59.5	28%	0.283	31%	0.31	S	S	.	.			trans	-143.9	128.7	177.8	-81.9	-81.7	0	0	0	109	S556 W560 L561 L622	S556-N558 PolarHBondContact O-N 3.09Å; S556-N558 PolarHBondContact O-ND2 3.42Å; N558-W560 VanDerWaalsContact C-N 3.3Å; N558-W560 PolarHBondContact O-N 3.26Å; N558-L561 HydrophobicContact CB-CB 4.35Å; N558-L622 HydrophobicContact CB-CD2 3.96Å
559	D	85.8	Confident	87.8	Confident	127 Å²	127	59 Å²	59	68%	0.679	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.5	-172.2	-56.2	-9.6	0	0	0	113.3	Y557	Y557-D559 WeakPolarHBondContact CE1-OD1 3.13Å
560	W	90.5	Very high	87.5	Confident	50 Å²	50	61.5 Å²	61.5	19%	0.189	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-19.3	-171.5	63.2	-93.3	0	0	0	114.4	H407 N558 E562 E563 E564 L622 L625	H407-W560 HydrophobicContact CB-CZ3 4.25Å; H407-W560 AromaticContact CE1-CD2 3.84Å; H407-W560 AromaticContact CE1-CE3 3.41Å; H407-W560 VanDerWaalsContact CE1-CE3 3.41Å; H407-W560 AromaticContact CE1-CZ3 3.68Å; H407-W560 AromaticContact CG-CZ3 3.78Å; H407-W560 AromaticContact ND1-CD2 3.93Å; H407-W560 AromaticContact ND1-CE3 3.25Å; H407-W560 VanDerWaalsContact ND1-CE3 3.25Å; H407-W560 AromaticContact ND1-CH2 3.42Å; H407-W560 WeakPolarHBondContact ND1-CH2 3.33Å; H407-W560 AromaticContact ND1-CZ3 2.99Å; H407-W560 WeakPolarHBondContact ND1-CZ3 2.92Å; N558-W560 VanDerWaalsContact C-N 3.3Å; N558-W560 PolarHBondContact O-N 3.26Å; W560-E562 PolarHBondContact O-N 3.41Å; W560-E563 PolarHBondContact O-N 2.82Å; W560-E564 HydrophobicContact CE3-CB 4.02Å; W560-E564 HydrophobicContact CE3-CG 4.09Å; W560-E564 HydrophobicContact CZ3-CB 4.43Å; W560-E564 WeakPolarHBondContact O-CB 3.32Å; W560-E564 PolarHBondContact O-N 2.82Å; W560-L622 HydrophobicContact CH2-CD2 3.83Å; W560-L622 HydrophobicContact CZ2-CD2 3.37Å; W560-L622 HydrophobicContact CZ2-CG 4.18Å; W560-L625 HydrophobicContact CH2-CB 4.17Å; W560-L625 HydrophobicContact CZ3-CB 3.98Å; W560-L625 HydrophobicContact CZ3-CD2 4.21Å
561	L	90.7	Very high	87.2	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-43.7	-166.7	178.4	62.3	0	0	0	112.3	Q552 V555 N558 C565 V577 L622 L625	Q552-L561 HydrophobicContact CG-CD2 3.81Å; Q552-L561 HydrophobicContact CG-CG 4.22Å; V555-L561 HydrophobicContact CG2-CD2 4.08Å; N558-L561 HydrophobicContact CB-CB 4.35Å; L561-C565 VanDerWaalsContact O-CB 3.25Å; L561-C565 WeakPolarHBondContact O-CB 3.29Å; L561-C565 PolarHBondContact O-N 2.79Å; L561-C565 PolarHBondContact O-SG 2.79Å; L561-V577 HydrophobicContact CD1-CG1 4.46Å; L561-V577 HydrophobicContact CD1-CG2 3.99Å; L561-V577 HydrophobicContact CD2-CG1 4.49Å; L561-L622 HydrophobicContact CB-CD2 4.29Å; L561-L622 HydrophobicContact CD1-CD1 4.34Å; L561-L622 HydrophobicContact CD1-CD2 4.15Å; L561-L622 HydrophobicContact CD2-CD1 4.43Å; L561-L622 HydrophobicContact CD2-CD2 4.14Å; L561-L622 HydrophobicContact CG-CD2 4.43Å; L561-L625 HydrophobicContact CD1-CB 4.46Å; L561-L625 HydrophobicContact CD1-CD2 4.45Å
562	E	87.1	Confident	86.8	Confident	141 Å²	141	65.4 Å²	65.4	66%	0.659	33%	0.326	S	S	*	.	H	α-helix	trans	-66.9	-45.5	-178.3	-169.1	168.4	-179.1	0	0	112.4	Q552 W560 A566	Q552-E562 VanDerWaalsContact NE2-CG 3.32Å; W560-E562 PolarHBondContact O-N 3.41Å; E562-A566 WeakPolarHBondContact O-CB 3.34Å; E562-A566 PolarHBondContact O-N 3.2Å; E562-A566 VanDerWaalsContact O-N 3.07Å
563	E	88	Confident	86.8	Confident	130 Å²	130	62.8 Å²	62.8	61%	0.607	31%	0.314	S	S	*	.	H	α-helix	trans	-65.1	-45.7	-179.1	-172.8	171.4	-173.6	0	0	111.2	W560 A566 N567	W560-E563 PolarHBondContact O-N 2.82Å; E563-A566 WeakPolarHBondContact O-CB 3.4Å; E563-A566 PolarHBondContact O-N 3.15Å; E563-N567 VanDerWaalsContact O-CG 3.26Å; E563-N567 PolarHBondContact O-N 3.49Å; E563-N567 PolarHBondContact O-ND2 3.16Å
564	E	89.8	Confident	86.7	Confident	31 Å²	31	59.1 Å²	59.1	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-71.7	-36.9	-178.9	-72.1	-55.7	119	0	0	113	H407 M412 W560 A566 N567 L568 L625	H407-E564 IonicContact CD2-OE2 3.96Å; M412-E564 WeakPolarHBondContact CE-OE2 3.37Å; W560-E564 HydrophobicContact CE3-CB 4.02Å; W560-E564 HydrophobicContact CE3-CG 4.09Å; W560-E564 HydrophobicContact CZ3-CB 4.43Å; W560-E564 WeakPolarHBondContact O-CB 3.32Å; W560-E564 PolarHBondContact O-N 2.82Å; E564-A566 VanDerWaalsContact C-N 3.28Å; E564-A566 PolarHBondContact O-N 3.32Å; E564-N567 PolarHBondContact O-N 3.35Å; E564-N567 PolarHBondContact OE1-ND2 3.44Å; E564-L568 WeakPolarHBondContact O-CG 3.44Å; E564-L568 PolarHBondContact O-N 3.13Å; E564-L625 HydrophobicContact CB-CD2 3.99Å
565	C	88.5	Confident	86.8	Confident	3 Å²	3	59 Å²	59	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-45.4	168.8	-77.5	0	0	0	0	111	D548 L561 N567 A569 L625	D548-C565 HydrophobicContact CB-CB 4.16Å; D548-C565 VanDerWaalsContact CB-SG 3.57Å; L561-C565 VanDerWaalsContact O-CB 3.25Å; L561-C565 WeakPolarHBondContact O-CB 3.29Å; L561-C565 PolarHBondContact O-N 2.79Å; L561-C565 PolarHBondContact O-SG 2.79Å; C565-N567 VanDerWaalsContact C-N 3.35Å; C565-N567 PolarHBondContact O-N 3.4Å; C565-A569 VanDerWaalsContact O-CB 3.22Å; C565-A569 WeakPolarHBondContact O-CB 3.42Å; C565-A569 PolarHBondContact O-N 3.39Å; C565-L625 HydrophobicContact CB-CD2 4.44Å; C565-L625 WeakPolarHBondContact SG-CD1 3.36Å; C565-L625 VanDerWaalsContact SG-CD2 3.57Å
566	A	84.5	Confident	86.8	Confident	46 Å²	46	60.1 Å²	60.1	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-36.3	178.3	0	0	0	0	0	112.6	E562 E563 E564 R570	E562-A566 WeakPolarHBondContact O-CB 3.34Å; E562-A566 PolarHBondContact O-N 3.2Å; E562-A566 VanDerWaalsContact O-N 3.07Å; E563-A566 WeakPolarHBondContact O-CB 3.4Å; E563-A566 PolarHBondContact O-N 3.15Å; E564-A566 VanDerWaalsContact C-N 3.28Å; E564-A566 PolarHBondContact O-N 3.32Å; A566-R570 WeakPolarHBondContact O-CB 3.44Å; A566-R570 PolarHBondContact O-N 2.7Å
567	N	87.6	Confident	87.1	Confident	38 Å²	38	57.7 Å²	57.7	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-50.8	176.6	-71.9	-24.3	0	0	0	111.4	E563 E564 C565 A569 R570 E571	E563-N567 VanDerWaalsContact O-CG 3.26Å; E563-N567 PolarHBondContact O-N 3.49Å; E563-N567 PolarHBondContact O-ND2 3.16Å; E564-N567 PolarHBondContact O-N 3.35Å; E564-N567 PolarHBondContact OE1-ND2 3.44Å; C565-N567 VanDerWaalsContact C-N 3.35Å; C565-N567 PolarHBondContact O-N 3.4Å; N567-A569 PolarHBondContact O-N 3.24Å; N567-R570 WeakPolarHBondContact O-CA 3.25Å; N567-R570 VanDerWaalsContact O-CB 3.31Å; N567-R570 WeakPolarHBondContact O-CB 3.32Å; N567-R570 PolarHBondContact O-N 3.31Å; N567-R570 PolarHBondContact OD1-NH1 2.93Å; N567-R570 PolarHBondContact OD1-NH2 3.48Å; N567-E571 PolarHBondContact O-N 2.84Å; N567-E571 VanDerWaalsContact O-N 3.15Å
568	L	87.9	Confident	87.5	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-42.5	176.5	-65.2	178	0	0	0	111.8	K405 E564 R570 E571 G572 L573 T575 L625	K405-L568 HydrophobicContact CB-CD2 4.06Å; K405-L568 HydrophobicContact CD-CD2 3.39Å; K405-L568 HydrophobicContact CG-CD2 4.32Å; E564-L568 WeakPolarHBondContact O-CG 3.44Å; E564-L568 PolarHBondContact O-N 3.13Å; L568-R570 PolarHBondContact O-N 2.95Å; L568-E571 WeakPolarHBondContact O-CB 3.35Å; L568-E571 PolarHBondContact O-N 2.9Å; L568-E571 VanDerWaalsContact O-N 3.15Å; L568-G572 PolarHBondContact O-N 2.92Å; L568-L573 HydrophobicContact CB-CB 4.41Å; L568-L573 HydrophobicContact CD2-CD1 3.79Å; L568-L573 PolarHBondContact O-N 3.45Å; L568-L573 VanDerWaalsContact O-N 3.09Å; L568-T575 HydrophobicContact CB-CG2 3.49Å; L568-T575 VanDerWaalsContact CB-CG2 3.49Å; L568-T575 HydrophobicContact CD1-CG2 3.99Å; L568-T575 HydrophobicContact CG-CG2 4.4Å; L568-L625 HydrophobicContact CD1-CD1 4.47Å; L568-L625 HydrophobicContact CD1-CD2 3.59Å; L568-L625 HydrophobicContact CD1-CG 3.72Å
569	A	80.9	Confident	88	Confident	21 Å²	21	45.7 Å²	45.7	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-68.2	-19.1	175.3	0	0	0	0	0	113.3	C565 N567 K666	C565-A569 VanDerWaalsContact O-CB 3.22Å; C565-A569 WeakPolarHBondContact O-CB 3.42Å; C565-A569 PolarHBondContact O-N 3.39Å; N567-A569 PolarHBondContact O-N 3.24Å; A569-K666 WeakPolarHBondContact O-CD 3.46Å; A569-K666 PolarHBondContact O-NZ 2.78Å
570	R	79.4	Confident	88.4	Confident	158 Å²	158	40.5 Å²	40.5	60%	0.596	20%	0.196	S	C	*	.	H	α-helix	trans	-78.4	-32.1	172.7	-162.3	-178.6	-57.1	121.1	6.5	111.6	A566 N567 L568 G572	A566-R570 WeakPolarHBondContact O-CB 3.44Å; A566-R570 PolarHBondContact O-N 2.7Å; N567-R570 WeakPolarHBondContact O-CA 3.25Å; N567-R570 VanDerWaalsContact O-CB 3.31Å; N567-R570 WeakPolarHBondContact O-CB 3.32Å; N567-R570 PolarHBondContact O-N 3.31Å; N567-R570 PolarHBondContact OD1-NH1 2.93Å; N567-R570 PolarHBondContact OD1-NH2 3.48Å; L568-R570 PolarHBondContact O-N 2.95Å; R570-G572 PolarHBondContact O-N 2.67Å
571	E	82.4	Confident	88.6	Confident	105 Å²	105	40.5 Å²	40.5	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-73.4	-12.7	170.9	-65	179.5	-180	0	0	112.8	K405 N567 L568 L573	K405-E571 WeakPolarHBondContact CE-OE2 2.85Å; K405-E571 IonicContact NZ-OE1 3.61Å; K405-E571 PolarHBondContact NZ-OE1 3.17Å; K405-E571 IonicContact NZ-OE2 3.95Å; K405-E571 PolarHBondContact NZ-OE2 3.48Å; N567-E571 PolarHBondContact O-N 2.84Å; N567-E571 VanDerWaalsContact O-N 3.15Å; L568-E571 WeakPolarHBondContact O-CB 3.35Å; L568-E571 PolarHBondContact O-N 2.9Å; L568-E571 VanDerWaalsContact O-N 3.15Å; E571-L573 HydrophobicContact CB-CD1 4.45Å; E571-L573 HydrophobicContact CB-CG 4.25Å
572	G	82.1	Confident	88.7	Confident	5 Å²	5	43.4 Å²	43.4	5%	0.052	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	14.7	-179.6	0	0	0	0	0	113.5	L568 R570	L568-G572 PolarHBondContact O-N 2.92Å; R570-G572 PolarHBondContact O-N 2.67Å
573	L	87.7	Confident	89	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-79.3	142	174.1	-57.4	175.9	0	0	0	110.2	K404 K405 L568 E571 T575 E629	K404-L573 HydrophobicContact CB-CD1 4.37Å; K404-L573 HydrophobicContact CB-CD2 4.01Å; K404-L573 HydrophobicContact CG-CD2 4.01Å; K405-L573 HydrophobicContact CB-CD1 4.47Å; K405-L573 HydrophobicContact CD-CD1 3.88Å; K405-L573 HydrophobicContact CG-CD1 4.2Å; L568-L573 HydrophobicContact CB-CB 4.41Å; L568-L573 HydrophobicContact CD2-CD1 3.79Å; L568-L573 PolarHBondContact O-N 3.45Å; L568-L573 VanDerWaalsContact O-N 3.09Å; E571-L573 HydrophobicContact CB-CD1 4.45Å; E571-L573 HydrophobicContact CB-CG 4.25Å; L573-T575 PolarHBondContact O-N 3.42Å; L573-E629 HydrophobicContact CD2-CB 3.67Å; L573-E629 HydrophobicContact CD2-CG 4.23Å
574	R	87.3	Confident	89.2	Confident	30 Å²	30	34.8 Å²	34.8	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.3	168.8	-59.8	-178.1	-176.4	-169.8	3.7	108.4	M401 D478 G627 V628 D630	M401-R574 VanDerWaalsContact CE-NH2 3.34Å; D478-R574 IonicContact OD1-CZ 3.1Å; D478-R574 IonicContact OD1-NH1 3.42Å; D478-R574 PolarHBondContact OD1-NH1 3.39Å; D478-R574 IonicContact OD2-NH1 2.7Å; D478-R574 PolarHBondContact OD2-NH1 2.89Å; D478-R574 VanDerWaalsContact OD2-NH1 3.07Å; R574-G627 WeakPolarHBondContact O-CA 3.31Å; R574-V628 WeakPolarHBondContact CB-O 3.41Å; R574-V628 PolarHBondContact N-O 3.04Å; R574-V628 PolarHBondContact O-N 3.49Å; R574-D630 IonicContact CZ-OD2 2.67Å; R574-D630 IonicContact NH2-OD2 3.46Å; R574-D630 PolarHBondContact NH2-OD2 3.46Å
575	T	90.1	Very high	89.2	Confident	19 Å²	19	36.1 Å²	36.1	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.9	-178.3	46.2	0	0	0	0	111.1	D548 L568 L573 L625 T626	D548-T575 PolarHBondContact OD2-OG1 2.92Å; D548-T575 VanDerWaalsContact OD2-OG1 3.12Å; L568-T575 HydrophobicContact CB-CG2 3.49Å; L568-T575 VanDerWaalsContact CB-CG2 3.49Å; L568-T575 HydrophobicContact CD1-CG2 3.99Å; L568-T575 HydrophobicContact CG-CG2 4.4Å; L573-T575 PolarHBondContact O-N 3.42Å; T575-L625 HydrophobicContact CG2-CD1 4.34Å; T575-T626 WeakPolarHBondContact CA-O 3.33Å
576	L	92.1	Very high	89.4	Confident	35 Å²	35	43.9 Å²	43.9	18%	0.183	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.7	168.3	-71.8	167.9	0	0	0	110	L482 G546 T626	L482-L576 HydrophobicContact CD1-CD1 4.2Å; G546-L576 WeakPolarHBondContact O-CD2 3.5Å; L576-T626 WeakPolarHBondContact CB-OG1 3.07Å; L576-T626 PolarHBondContact N-O 2.85Å; L576-T626 VanDerWaalsContact N-O 3.1Å; L576-T626 PolarHBondContact O-N 2.98Å; L576-T626 PolarHBondContact O-OG1 3.47Å
577	V	94.6	Very high	89.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.9	174.8	180	0	0	0	0	108.3	K545 G546 D548 L551 V555 L561 L622 L625	K545-V577 VanDerWaalsContact CA-O 3.3Å; K545-V577 WeakPolarHBondContact CA-O 3.28Å; G546-V577 PolarHBondContact N-O 3.37Å; G546-V577 VanDerWaalsContact N-O 3.12Å; G546-V577 PolarHBondContact O-N 2.99Å; D548-V577 HydrophobicContact CB-CG2 3.99Å; L551-V577 HydrophobicContact CB-CB 3.96Å; L551-V577 HydrophobicContact CB-CG1 3.99Å; L551-V577 HydrophobicContact CD1-CB 3.76Å; L551-V577 HydrophobicContact CD1-CG1 4.07Å; L551-V577 WeakPolarHBondContact CD1-O 3.43Å; V555-V577 HydrophobicContact CG2-CG1 4.35Å; L561-V577 HydrophobicContact CD1-CG1 4.46Å; L561-V577 HydrophobicContact CD1-CG2 3.99Å; L561-V577 HydrophobicContact CD2-CG1 4.49Å; V577-L622 HydrophobicContact CG1-CD1 3.46Å; V577-L622 VanDerWaalsContact CG1-CD1 3.46Å; V577-L625 HydrophobicContact CG2-CD1 3.95Å
578	V	95.7	Very high	90	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	178.7	-172.9	0	0	0	0	109.3	A448 L449 I544 K545 L623 C624	A448-V578 HydrophobicContact CB-CG1 3.77Å; L449-V578 HydrophobicContact CD2-CG2 3.78Å; I544-V578 WeakPolarHBondContact O-CA 3.4Å; K545-V578 HydrophobicContact CB-CG2 4.19Å; V578-L623 PolarHBondContact O-N 3.08Å; V578-C624 PolarHBondContact N-O 2.61Å; V578-C624 PolarHBondContact O-N 3.15Å
579	A	95.6	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.8	-177.4	0	0	0	0	0	111.5	I544 V555 L620 Q621	I544-A579 HydrophobicContact CG2-CB 3.83Å; I544-A579 PolarHBondContact N-O 3.15Å; I544-A579 PolarHBondContact O-N 3.41Å; V555-A579 HydrophobicContact CG1-CB 3.36Å; A579-L620 HydrophobicContact CB-CB 4Å; A579-Q621 CarbonylContact C-O 3.38Å; A579-Q621 WeakPolarHBondContact CA-O 3.34Å; A579-Q621 VanDerWaalsContact CB-O 3.29Å; A579-Q621 WeakPolarHBondContact CB-O 3.48Å
580	K	95.1	Very high	90.8	Very high	18 Å²	18	55.2 Å²	55.2	8%	0.078	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.9	176.6	77.5	169.5	-169.4	165.2	0	113.6	T541 F542 Y543 Q621 L623	T541-K580 HydrophobicContact CG2-CB 4.17Å; T541-K580 HydrophobicContact CG2-CD 4.16Å; F542-K580 CarbonylContact O-C 3.53Å; F542-K580 VanDerWaalsContact O-CA 3.23Å; F542-K580 WeakPolarHBondContact O-CA 3.44Å; Y543-K580 HydrophobicContact CD1-CB 3.64Å; Y543-K580 HydrophobicContact CE1-CB 3.71Å; Y543-K580 HydrophobicContact CE1-CD 3.97Å; Y543-K580 HydrophobicContact CE1-CG 4.48Å; K580-Q621 HydrophobicContact CG-CB 4.48Å; K580-Q621 PolarHBondContact N-O 3.42Å; K580-Q621 WeakPolarHBondContact O-CB 3.36Å; K580-Q621 PolarHBondContact O-N 3.31Å; K580-L623 HydrophobicContact CB-CD1 3.87Å; K580-L623 HydrophobicContact CB-CG 4.35Å; K580-L623 HydrophobicContact CD-CD1 4.06Å; K580-L623 HydrophobicContact CD-CD2 4.03Å; K580-L623 HydrophobicContact CD-CG 4.42Å; K580-L623 HydrophobicContact CG-CD1 3.92Å; K580-L623 HydrophobicContact CG-CD2 3.98Å; K580-L623 HydrophobicContact CG-CG 4.02Å
581	K	94.2	Very high	91.4	Very high	50 Å²	50	48.1 Å²	48.1	22%	0.217	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122.2	170	-175.7	169.6	-173.3	169.2	0	109.3	F542 L583 R618 L620	F542-K581 HydrophobicContact CB-CB 4.45Å; F542-K581 HydrophobicContact CD1-CB 4.35Å; F542-K581 PolarHBondContact N-O 3.38Å; F542-K581 PolarHBondContact O-N 2.72Å; K581-L583 HydrophobicContact CG-CD2 4.4Å; K581-R618 PolarHBondContact NZ-O 3.38Å; K581-L620 HydrophobicContact CB-CD2 3.7Å; K581-L620 HydrophobicContact CB-CG 4.49Å
582	A	93	Very high	91.9	Very high	67 Å²	67	44.5 Å²	44.5	55%	0.554	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.3	170.6	0	0	0	0	0	109
583	L	92.5	Very high	92.3	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136	-179.8	-66.6	171.7	0	0	0	109.6	I531 I540 F542 K581 Q587 L616	I531-L583 HydrophobicContact CG2-CD1 4.49Å; I540-L583 HydrophobicContact CB-CB 4.4Å; I540-L583 HydrophobicContact CG2-CB 4.18Å; I540-L583 HydrophobicContact CG2-CD1 4.39Å; I540-L583 PolarHBondContact O-N 3.08Å; F542-L583 HydrophobicContact CB-CD1 3.95Å; F542-L583 HydrophobicContact CB-CG 4.43Å; K581-L583 HydrophobicContact CG-CD2 4.4Å; L583-Q587 HydrophobicContact CD2-CB 4.31Å; L583-L616 HydrophobicContact CD1-CD2 3.93Å; L583-L616 HydrophobicContact CD2-CD2 3.99Å
584	T	92.8	Very high	92.5	Very high	76 Å²	76	49.4 Å²	49.4	47%	0.466	28%	0.279	S	S	.	.			trans	-75.4	154.9	167.2	69.1	0	0	0	0	110.1	Q586 Q587 Y588	T584-Q586 PolarHBondContact O-N 3.31Å; T584-Q586 VanDerWaalsContact O-N 3.12Å; T584-Q587 WeakPolarHBondContact O-CB 3.46Å; T584-Q587 PolarHBondContact O-N 3.01Å; T584-Q587 VanDerWaalsContact OG1-CG 3.3Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.41Å; T584-Q587 PolarHBondContact OG1-N 3.26Å; T584-Y588 PolarHBondContact O-N 3.34Å
585	V	90.3	Very high	92.7	Very high	58 Å²	58	48.9 Å²	48.9	35%	0.352	28%	0.278	S	S	.	.	H	α-helix	trans	-54.5	-34.8	176.6	-179	0	0	0	0	111.7	I540 K589	I540-V585 HydrophobicContact CD1-CG2 4.27Å; V585-K589 HydrophobicContact CG1-CD 4.45Å; V585-K589 WeakPolarHBondContact O-CB 3.37Å; V585-K589 WeakPolarHBondContact O-CG 3.23Å; V585-K589 PolarHBondContact O-N 2.93Å
586	Q	92.3	Very high	92.6	Very high	166 Å²	166	51.2 Å²	51.2	78%	0.776	29%	0.29	S	S	*	.	H	α-helix	trans	-68.8	-43.9	175.6	-68.2	-174.7	-3.5	0	0	112.4	T584 Y588 K589 A590	T584-Q586 PolarHBondContact O-N 3.31Å; T584-Q586 VanDerWaalsContact O-N 3.12Å; Q586-Y588 VanDerWaalsContact C-N 3.34Å; Q586-Y588 PolarHBondContact O-N 3.33Å; Q586-K589 PolarHBondContact O-N 3.46Å; Q586-A590 WeakPolarHBondContact O-CB 3.31Å; Q586-A590 PolarHBondContact O-N 3.29Å
587	Q	91.2	Very high	92.5	Very high	98 Å²	98	57.6 Å²	57.6	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-42.8	176.2	-74.7	170.6	-18.2	0	0	111.4	L583 T584 A590 F591	L583-Q587 HydrophobicContact CD2-CB 4.31Å; T584-Q587 WeakPolarHBondContact O-CB 3.46Å; T584-Q587 PolarHBondContact O-N 3.01Å; T584-Q587 VanDerWaalsContact OG1-CG 3.3Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.41Å; T584-Q587 PolarHBondContact OG1-N 3.26Å; Q587-A590 PolarHBondContact O-N 3.33Å; Q587-F591 WeakPolarHBondContact O-CB 3.34Å; Q587-F591 PolarHBondContact O-N 3.39Å
588	Y	92.3	Very high	92.2	Very high	39 Å²	39	57.9 Å²	57.9	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-46.9	176.1	173.8	-105.2	0	0	0	112	L516 I531 I540 T584 Q586 A590 F591 S592	L516-Y588 HydrophobicContact CB-CE2 3.97Å; L516-Y588 HydrophobicContact CD1-CD1 4.26Å; L516-Y588 HydrophobicContact CD1-CD2 4.22Å; L516-Y588 HydrophobicContact CD1-CE1 3.91Å; L516-Y588 HydrophobicContact CD1-CE2 3.86Å; L516-Y588 HydrophobicContact CD1-CG 4.42Å; I531-Y588 HydrophobicContact CD1-CD2 4.28Å; I531-Y588 HydrophobicContact CD1-CE2 4.2Å; I531-Y588 HydrophobicContact CG2-CD2 4.05Å; I531-Y588 HydrophobicContact CG2-CE2 4.08Å; I540-Y588 HydrophobicContact CD1-CD1 4.09Å; I540-Y588 HydrophobicContact CD1-CG 4.05Å; T584-Y588 PolarHBondContact O-N 3.34Å; Q586-Y588 VanDerWaalsContact C-N 3.34Å; Q586-Y588 PolarHBondContact O-N 3.33Å; Y588-A590 VanDerWaalsContact C-N 3.33Å; Y588-A590 PolarHBondContact O-N 3.46Å; Y588-F591 PolarHBondContact O-N 3.23Å; Y588-S592 WeakPolarHBondContact O-CB 3.33Å; Y588-S592 PolarHBondContact O-N 3Å
589	K	93.2	Very high	91.5	Very high	143 Å²	143	62.1 Å²	62.1	62%	0.622	34%	0.336	S	S	*	.	H	α-helix	trans	-60.3	-42.1	177.3	-78.5	-178.7	178.2	-179.9	0	112.3	V585 Q586 S592 A593	V585-K589 HydrophobicContact CG1-CD 4.45Å; V585-K589 WeakPolarHBondContact O-CB 3.37Å; V585-K589 WeakPolarHBondContact O-CG 3.23Å; V585-K589 PolarHBondContact O-N 2.93Å; Q586-K589 PolarHBondContact O-N 3.46Å; K589-S592 PolarHBondContact O-N 3.05Å; K589-A593 WeakPolarHBondContact O-CB 3.27Å; K589-A593 PolarHBondContact O-N 3.48Å
590	A	92.5	Very high	91	Very high	66 Å²	66	69 Å²	69	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.4	0	0	0	0	0	111.8	Q586 Q587 Y588 S594	Q586-A590 WeakPolarHBondContact O-CB 3.31Å; Q586-A590 PolarHBondContact O-N 3.29Å; Q587-A590 PolarHBondContact O-N 3.33Å; Y588-A590 VanDerWaalsContact C-N 3.33Å; Y588-A590 PolarHBondContact O-N 3.46Å; A590-S594 PolarHBondContact O-N 2.88Å
591	F	93.2	Very high	90.4	Very high	9 Å²	9	69.1 Å²	69.1	4%	0.039	38%	0.376	C	S	.	.	H	α-helix	trans	-62	-51	174.3	166.8	-98.9	0	0	0	111.8	F519 I531 Q587 Y588 A593 S594 Y595 A612 L616	F519-F591 AromaticContact CE1-CZ 3.96Å; F519-F591 HydrophobicContact CE1-CZ 3.96Å; F519-F591 AromaticContact CZ-CE1 3.9Å; F519-F591 HydrophobicContact CZ-CE1 3.9Å; F519-F591 HydrophobicContact CZ-CE2 4.5Å; F519-F591 AromaticContact CZ-CZ 3.49Å; F519-F591 HydrophobicContact CZ-CZ 3.49Å; F519-F591 VanDerWaalsContact CZ-CZ 3.49Å; I531-F591 HydrophobicContact CD1-CD1 3.98Å; I531-F591 HydrophobicContact CD1-CE1 3.74Å; Q587-F591 WeakPolarHBondContact O-CB 3.34Å; Q587-F591 PolarHBondContact O-N 3.39Å; Y588-F591 PolarHBondContact O-N 3.23Å; F591-A593 VanDerWaalsContact C-N 3.33Å; F591-A593 PolarHBondContact O-N 3.3Å; F591-S594 WeakPolarHBondContact O-CB 3.39Å; F591-S594 PolarHBondContact O-N 2.92Å; F591-S594 VanDerWaalsContact O-N 3.12Å; F591-Y595 HydrophobicContact CE1-CG 4.3Å; F591-Y595 HydrophobicContact CE2-CD2 4.21Å; F591-Y595 HydrophobicContact CE2-CG 4.4Å; F591-Y595 HydrophobicContact CZ-CD1 4.48Å; F591-Y595 AromaticContact CZ-CD2 3.78Å; F591-Y595 HydrophobicContact CZ-CD2 3.78Å; F591-Y595 HydrophobicContact CZ-CE2 4.48Å; F591-Y595 AromaticContact CZ-CG 3.79Å; F591-Y595 HydrophobicContact CZ-CG 3.79Å; F591-Y595 VanDerWaalsContact O-CB 3.31Å; F591-Y595 WeakPolarHBondContact O-CB 3.25Å; F591-Y595 PolarHBondContact O-N 3.18Å; F591-A612 WeakPolarHBondContact CE2-O 3.46Å; F591-L616 HydrophobicContact CB-CD2 4.42Å; F591-L616 HydrophobicContact CD1-CD1 4.05Å; F591-L616 HydrophobicContact CD2-CD1 3.66Å; F591-L616 HydrophobicContact CD2-CD2 4.08Å; F591-L616 HydrophobicContact CD2-CG 3.68Å; F591-L616 HydrophobicContact CE1-CD1 3.83Å; F591-L616 HydrophobicContact CE2-CD1 3.41Å; F591-L616 VanDerWaalsContact CE2-CD1 3.41Å; F591-L616 HydrophobicContact CE2-CG 3.85Å; F591-L616 HydrophobicContact CG-CD1 3.99Å; F591-L616 HydrophobicContact CG-CD2 4.08Å; F591-L616 HydrophobicContact CG-CG 4.14Å; F591-L616 HydrophobicContact CZ-CD1 3.52Å; F591-L616 HydrophobicContact CZ-CG 4.43Å
592	S	92.1	Very high	89.8	Confident	30 Å²	30	74.3 Å²	74.3	21%	0.21	41%	0.405	C	S	.	.	H	α-helix	trans	-56	-47.6	-179.3	-168.4	0	0	0	0	111	Y588 K589 S594 Y595 D596	Y588-S592 WeakPolarHBondContact O-CB 3.33Å; Y588-S592 PolarHBondContact O-N 3Å; K589-S592 PolarHBondContact O-N 3.05Å; S592-S594 VanDerWaalsContact C-N 3.33Å; S592-S594 PolarHBondContact O-N 2.89Å; S592-Y595 PolarHBondContact O-N 3.08Å; S592-D596 WeakPolarHBondContact O-CB 3.38Å; S592-D596 PolarHBondContact O-N 2.97Å; S592-D596 VanDerWaalsContact O-OD2 3.04Å; S592-D596 PolarHBondContact OG-OD2 3.49Å
593	A	91.8	Very high	89.4	Confident	65 Å²	65	79.7 Å²	79.7	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-41.1	178.5	0	0	0	0	0	112.8	K589 F591 K597	K589-A593 WeakPolarHBondContact O-CB 3.27Å; K589-A593 PolarHBondContact O-N 3.48Å; F591-A593 VanDerWaalsContact C-N 3.33Å; F591-A593 PolarHBondContact O-N 3.3Å; A593-K597 VanDerWaalsContact O-CB 3.28Å; A593-K597 WeakPolarHBondContact O-CB 3.24Å; A593-K597 PolarHBondContact O-N 3.22Å; A593-K597 VanDerWaalsContact O-N 3.16Å
594	S	91.3	Very high	88.9	Confident	51 Å²	51	84.5 Å²	84.5	36%	0.357	44%	0.438	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.9	-171.2	0	0	0	0	111.9	A590 F591 S592 K597 A598	A590-S594 PolarHBondContact O-N 2.88Å; F591-S594 WeakPolarHBondContact O-CB 3.39Å; F591-S594 PolarHBondContact O-N 2.92Å; F591-S594 VanDerWaalsContact O-N 3.12Å; S592-S594 VanDerWaalsContact C-N 3.33Å; S592-S594 PolarHBondContact O-N 2.89Å; S594-K597 PolarHBondContact O-N 2.78Å; S594-A598 WeakPolarHBondContact O-CB 3.37Å; S594-A598 PolarHBondContact O-N 3.32Å
595	Y	90.6	Very high	88.4	Confident	19 Å²	19	87.7 Å²	87.7	8%	0.075	44%	0.441	C	S	.	.	H	α-helix	trans	-68.7	-42.7	-178.4	-174.3	-106.4	0	0	0	112.7	Q517 F519 F591 S592 A598 K599 V609 A612 V613	Q517-Y595 HydrophobicContact CG-CE1 4.12Å; F519-Y595 HydrophobicContact CD1-CE2 4.47Å; F519-Y595 HydrophobicContact CE1-CD2 4.45Å; F519-Y595 AromaticContact CE1-CE2 3.8Å; F519-Y595 HydrophobicContact CE1-CE2 3.8Å; F519-Y595 AromaticContact CE1-CZ 3.87Å; F591-Y595 HydrophobicContact CE1-CG 4.3Å; F591-Y595 HydrophobicContact CE2-CD2 4.21Å; F591-Y595 HydrophobicContact CE2-CG 4.4Å; F591-Y595 HydrophobicContact CZ-CD1 4.48Å; F591-Y595 AromaticContact CZ-CD2 3.78Å; F591-Y595 HydrophobicContact CZ-CD2 3.78Å; F591-Y595 HydrophobicContact CZ-CE2 4.48Å; F591-Y595 AromaticContact CZ-CG 3.79Å; F591-Y595 HydrophobicContact CZ-CG 3.79Å; F591-Y595 VanDerWaalsContact O-CB 3.31Å; F591-Y595 WeakPolarHBondContact O-CB 3.25Å; F591-Y595 PolarHBondContact O-N 3.18Å; S592-Y595 PolarHBondContact O-N 3.08Å; Y595-A598 WeakPolarHBondContact O-CB 3.34Å; Y595-A598 PolarHBondContact O-N 3.33Å; Y595-A598 VanDerWaalsContact O-N 3.17Å; Y595-K599 HydrophobicContact CD1-CD 4.24Å; Y595-K599 HydrophobicContact CE1-CD 3.79Å; Y595-K599 HydrophobicContact CE1-CG 4.36Å; Y595-K599 VanDerWaalsContact CE1-NZ 3.34Å; Y595-K599 VanDerWaalsContact CZ-CE 3.5Å; Y595-K599 PolarHBondContact O-N 3.45Å; Y595-K599 VanDerWaalsContact OH-CE 3.3Å; Y595-K599 WeakPolarHBondContact OH-CE 3.47Å; Y595-V609 HydrophobicContact CE2-CG1 3.8Å; Y595-A612 HydrophobicContact CD2-CB 4.23Å; Y595-V613 HydrophobicContact CD2-CG2 4.1Å; Y595-V613 HydrophobicContact CE2-CG2 3.74Å
596	D	89.4	Confident	88	Confident	69 Å²	69	90.6 Å²	90.6	37%	0.369	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-41	176.3	-66.2	-34.5	0	0	0	110.9	S592 A598 K599 L600	S592-D596 WeakPolarHBondContact O-CB 3.38Å; S592-D596 PolarHBondContact O-N 2.97Å; S592-D596 VanDerWaalsContact O-OD2 3.04Å; S592-D596 PolarHBondContact OG-OD2 3.49Å; D596-A598 VanDerWaalsContact C-N 3.27Å; D596-A598 PolarHBondContact O-N 3.06Å; D596-K599 PolarHBondContact O-N 3.43Å; D596-L600 WeakPolarHBondContact O-CG 3.29Å; D596-L600 PolarHBondContact O-N 3.41Å
597	K	89.1	Confident	87.7	Confident	168 Å²	168	86.6 Å²	86.6	73%	0.73	44%	0.438	S	S	*	.	H	α-helix	trans	-59.2	-38.6	171.8	-176	179.4	-179.7	-179.4	0	111.9	A593 S594 S601	A593-K597 VanDerWaalsContact O-CB 3.28Å; A593-K597 WeakPolarHBondContact O-CB 3.24Å; A593-K597 PolarHBondContact O-N 3.22Å; A593-K597 VanDerWaalsContact O-N 3.16Å; S594-K597 PolarHBondContact O-N 2.78Å; K597-S601 PolarHBondContact O-N 2.99Å
598	A	87.4	Confident	87.5	Confident	6 Å²	6	86.2 Å²	86.2	5%	0.05	44%	0.435	C	S	.	.	H	α-helix	trans	-69.1	-42.3	176.8	0	0	0	0	0	112.4	S594 Y595 D596 L600 S601 K608 V609	S594-A598 WeakPolarHBondContact O-CB 3.37Å; S594-A598 PolarHBondContact O-N 3.32Å; Y595-A598 WeakPolarHBondContact O-CB 3.34Å; Y595-A598 PolarHBondContact O-N 3.33Å; Y595-A598 VanDerWaalsContact O-N 3.17Å; D596-A598 VanDerWaalsContact C-N 3.27Å; D596-A598 PolarHBondContact O-N 3.06Å; A598-L600 VanDerWaalsContact C-N 3.33Å; A598-L600 PolarHBondContact O-N 3.2Å; A598-S601 VanDerWaalsContact O-CB 3.3Å; A598-S601 WeakPolarHBondContact O-CB 3.34Å; A598-S601 PolarHBondContact O-N 2.93Å; A598-K608 HydrophobicContact CB-CB 3.83Å; A598-V609 HydrophobicContact CB-CG2 3.9Å
599	K	81.9	Confident	87.3	Confident	91 Å²	91	85.2 Å²	85.2	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-37.2	177.5	-86.2	-177.6	167.8	174.2	0	113.4	Y595 D596 S601 R605 V609	Y595-K599 HydrophobicContact CD1-CD 4.24Å; Y595-K599 HydrophobicContact CE1-CD 3.79Å; Y595-K599 HydrophobicContact CE1-CG 4.36Å; Y595-K599 VanDerWaalsContact CE1-NZ 3.34Å; Y595-K599 VanDerWaalsContact CZ-CE 3.5Å; Y595-K599 PolarHBondContact O-N 3.45Å; Y595-K599 VanDerWaalsContact OH-CE 3.3Å; Y595-K599 WeakPolarHBondContact OH-CE 3.47Å; D596-K599 PolarHBondContact O-N 3.43Å; K599-S601 VanDerWaalsContact C-N 3.26Å; K599-S601 PolarHBondContact O-N 3.37Å; K599-R605 WeakPolarHBondContact O-CD 3.34Å; K599-V609 HydrophobicContact CG-CG2 4.24Å
600	L	84.8	Confident	86.9	Confident	146 Å²	146	81.6 Å²	81.6	76%	0.764	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.7	179.1	-68	169	0	0	0	113.4	D596 A598 L602	D596-L600 WeakPolarHBondContact O-CG 3.29Å; D596-L600 PolarHBondContact O-N 3.41Å; A598-L600 VanDerWaalsContact C-N 3.33Å; A598-L600 PolarHBondContact O-N 3.2Å; L600-L602 PolarHBondContact O-N 3.33Å
601	S	83.5	Confident	86.8	Confident	20 Å²	20	84.8 Å²	84.8	14%	0.14	42%	0.424	C	S	.	.			trans	-69.8	125.1	179	-171.8	0	0	0	0	111.1	K597 A598 K599 Y603 R605 K608	K597-S601 PolarHBondContact O-N 2.99Å; A598-S601 VanDerWaalsContact O-CB 3.3Å; A598-S601 WeakPolarHBondContact O-CB 3.34Å; A598-S601 PolarHBondContact O-N 2.93Å; K599-S601 VanDerWaalsContact C-N 3.26Å; K599-S601 PolarHBondContact O-N 3.37Å; S601-Y603 PolarHBondContact OG-O 3.24Å; S601-R605 WeakPolarHBondContact O-CB 3.47Å; S601-K608 PolarHBondContact OG-NZ 3.16Å
602	L	80.8	Confident	86.6	Confident	159 Å²	159	84.5 Å²	84.5	83%	0.832	42%	0.423	S	S	*	.	S	Bend	trans	-73.1	-30.2	175	-68.6	166.8	0	0	0	112.7	L600	L600-L602 PolarHBondContact O-N 3.33Å
603	Y	84.7	Confident	86.5	Confident	179 Å²	179	83.2 Å²	83.2	70%	0.702	41%	0.414	S	S	*	.	S	Bend	trans	-106.8	136.4	-179.3	-50.8	-79.1	0	0	0	110.4	S601 R605	S601-Y603 PolarHBondContact OG-O 3.24Å; Y603-R605 PolarHBondContact O-N 3.09Å; Y603-R605 VanDerWaalsContact O-N 3.12Å
604	D	81.9	Confident	86.3	Confident	116 Å²	116	82.1 Å²	82.1	62%	0.62	40%	0.402	S	S	*	.	S	Bend	trans	49	37.5	178.2	-61.8	-33.2	0	0	0	114.3	Q606 T607 K608	D604-Q606 VanDerWaalsContact C-N 3.29Å; D604-Q606 PolarHBondContact O-N 2.97Å; D604-T607 PolarHBondContact O-N 2.91Å; D604-K608 PolarHBondContact O-N 3.31Å
605	R	83	Confident	86.2	Confident	144 Å²	144	84.3 Å²	84.3	54%	0.543	41%	0.409	S	S	.	.	H	α-helix	trans	-50.6	-49.9	-178.4	-170.7	180	68.3	177.6	-0.9	111.5	K599 S601 Y603 T607 K608 V609	K599-R605 WeakPolarHBondContact O-CD 3.34Å; S601-R605 WeakPolarHBondContact O-CB 3.47Å; Y603-R605 PolarHBondContact O-N 3.09Å; Y603-R605 VanDerWaalsContact O-N 3.12Å; R605-T607 VanDerWaalsContact C-N 3.33Å; R605-T607 PolarHBondContact O-N 3.1Å; R605-K608 PolarHBondContact O-N 2.87Å; R605-V609 HydrophobicContact CG-CG2 4.33Å; R605-V609 VanDerWaalsContact O-CB 3.3Å; R605-V609 WeakPolarHBondContact O-CB 3.28Å; R605-V609 WeakPolarHBondContact O-CG2 3.27Å; R605-V609 PolarHBondContact O-N 3.07Å
606	Q	80.6	Confident	86.2	Confident	118 Å²	118	83.7 Å²	83.7	55%	0.551	41%	0.407	S	S	*	.	H	α-helix	trans	-62.2	-41.6	-176.2	-155.2	69.8	12.9	0	0	111.9	D604 V609 N610	D604-Q606 VanDerWaalsContact C-N 3.29Å; D604-Q606 PolarHBondContact O-N 2.97Å; Q606-V609 PolarHBondContact O-N 3.17Å; Q606-N610 WeakPolarHBondContact O-CB 3.41Å; Q606-N610 PolarHBondContact O-N 3.26Å; Q606-N610 PolarHBondContact O-ND2 3.1Å
607	T	86.6	Confident	86.2	Confident	82 Å²	82	81.4 Å²	81.4	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-67.5	-47.9	-178.9	-27.8	0	0	0	0	111.2	D604 R605 V609 N610 E611	D604-T607 PolarHBondContact O-N 2.91Å; R605-T607 VanDerWaalsContact C-N 3.33Å; R605-T607 PolarHBondContact O-N 3.1Å; T607-V609 VanDerWaalsContact C-N 3.32Å; T607-V609 PolarHBondContact O-N 3.13Å; T607-N610 PolarHBondContact O-N 2.91Å; T607-E611 PolarHBondContact O-N 3.29Å
608	K	88	Confident	86.1	Confident	91 Å²	91	81.1 Å²	81.1	40%	0.396	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-37.9	177	-68.5	-179.4	-175.6	174.4	0	112.3	A598 S601 D604 R605 N610 E611 A612	A598-K608 HydrophobicContact CB-CB 3.83Å; S601-K608 PolarHBondContact OG-NZ 3.16Å; D604-K608 PolarHBondContact O-N 3.31Å; R605-K608 PolarHBondContact O-N 2.87Å; K608-N610 VanDerWaalsContact C-N 3.33Å; K608-E611 PolarHBondContact O-N 2.86Å; K608-A612 PolarHBondContact O-N 2.69Å
609	V	86.3	Confident	86.1	Confident	17 Å²	17	87.5 Å²	87.5	10%	0.103	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-43.5	175.1	166.3	0	0	0	0	110.1	Y595 A598 K599 R605 Q606 T607 A612 V613	Y595-V609 HydrophobicContact CE2-CG1 3.8Å; A598-V609 HydrophobicContact CB-CG2 3.9Å; K599-V609 HydrophobicContact CG-CG2 4.24Å; R605-V609 HydrophobicContact CG-CG2 4.33Å; R605-V609 VanDerWaalsContact O-CB 3.3Å; R605-V609 WeakPolarHBondContact O-CB 3.28Å; R605-V609 WeakPolarHBondContact O-CG2 3.27Å; R605-V609 PolarHBondContact O-N 3.07Å; Q606-V609 PolarHBondContact O-N 3.17Å; T607-V609 VanDerWaalsContact C-N 3.32Å; T607-V609 PolarHBondContact O-N 3.13Å; V609-A612 PolarHBondContact O-N 3.08Å; V609-V613 VanDerWaalsContact O-CG2 3.26Å; V609-V613 WeakPolarHBondContact O-CG2 3.43Å; V609-V613 PolarHBondContact O-N 2.88Å
610	N	86.5	Confident	86.7	Confident	67 Å²	67	83.2 Å²	83.2	36%	0.358	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-38.7	176.5	-71.5	-21.3	0	0	0	112.6	Q606 T607 K608 V613 S614	Q606-N610 WeakPolarHBondContact O-CB 3.41Å; Q606-N610 PolarHBondContact O-N 3.26Å; Q606-N610 PolarHBondContact O-ND2 3.1Å; T607-N610 PolarHBondContact O-N 2.91Å; K608-N610 VanDerWaalsContact C-N 3.33Å; N610-V613 PolarHBondContact O-N 3.5Å; N610-S614 WeakPolarHBondContact O-CB 3.3Å; N610-S614 PolarHBondContact O-N 3.41Å; N610-S614 PolarHBondContact O-OG 2.99Å
611	E	88.8	Confident	87.1	Confident	134 Å²	134	81 Å²	81	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-62.1	-44.7	173.5	-83.8	-173.5	155.9	0	0	112.3	T607 K608 V613 S614	T607-E611 PolarHBondContact O-N 3.29Å; K608-E611 PolarHBondContact O-N 2.86Å; E611-V613 VanDerWaalsContact C-N 3.34Å; E611-V613 PolarHBondContact O-N 3.28Å; E611-S614 VanDerWaalsContact CA-OG 3.28Å; E611-S614 WeakPolarHBondContact CA-OG 3.31Å; E611-S614 PolarHBondContact O-N 3.42Å; E611-S614 PolarHBondContact O-OG 3.37Å
612	A	90	Very high	87.6	Confident	3 Å²	3	80.8 Å²	80.8	3%	0.025	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-42.8	176.9	0	0	0	0	0	111.7	F591 Y595 K608 V609 I615	F591-A612 WeakPolarHBondContact CE2-O 3.46Å; Y595-A612 HydrophobicContact CD2-CB 4.23Å; K608-A612 PolarHBondContact O-N 2.69Å; V609-A612 PolarHBondContact O-N 3.08Å; A612-I615 WeakPolarHBondContact O-CB 3.36Å; A612-I615 PolarHBondContact O-N 3.4Å
613	V	89.8	Confident	88.2	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-37.1	178.7	174.1	0	0	0	0	111.8	F519 Y595 V609 N610 E611 I615 L616 E617	F519-V613 HydrophobicContact CD1-CG2 3.88Å; F519-V613 HydrophobicContact CE1-CG2 3.67Å; F519-V613 HydrophobicContact CZ-CG2 4.45Å; Y595-V613 HydrophobicContact CD2-CG2 4.1Å; Y595-V613 HydrophobicContact CE2-CG2 3.74Å; V609-V613 VanDerWaalsContact O-CG2 3.26Å; V609-V613 WeakPolarHBondContact O-CG2 3.43Å; V609-V613 PolarHBondContact O-N 2.88Å; N610-V613 PolarHBondContact O-N 3.5Å; E611-V613 VanDerWaalsContact C-N 3.34Å; E611-V613 PolarHBondContact O-N 3.28Å; V613-I615 PolarHBondContact O-N 2.87Å; V613-I615 VanDerWaalsContact O-N 3.14Å; V613-L616 WeakPolarHBondContact O-CB 3.31Å; V613-L616 PolarHBondContact O-N 2.87Å; V613-E617 HydrophobicContact CG1-CG 4.31Å; V613-E617 PolarHBondContact O-N 3.47Å
614	S	88.2	Confident	88.6	Confident	42 Å²	42	64.8 Å²	64.8	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-69.2	-9.8	-178.7	40.6	0	0	0	0	114.4	N610 E611 L616	N610-S614 WeakPolarHBondContact O-CB 3.3Å; N610-S614 PolarHBondContact O-N 3.41Å; N610-S614 PolarHBondContact O-OG 2.99Å; E611-S614 VanDerWaalsContact CA-OG 3.28Å; E611-S614 WeakPolarHBondContact CA-OG 3.31Å; E611-S614 PolarHBondContact O-N 3.42Å; E611-S614 PolarHBondContact O-OG 3.37Å; S614-L616 VanDerWaalsContact C-N 3.34Å
615	I	88.5	Confident	89.2	Confident	98 Å²	98	59.3 Å²	59.3	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-35.8	167.4	-61	170.2	0	0	0	110.9	A612 V613	A612-I615 WeakPolarHBondContact O-CB 3.36Å; A612-I615 PolarHBondContact O-N 3.4Å; V613-I615 PolarHBondContact O-N 2.87Å; V613-I615 VanDerWaalsContact O-N 3.14Å
616	L	90.1	Very high	89.8	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-34.5	177.4	-63.2	174.1	0	0	0	111.6	F519 I531 F542 L583 F591 V613 S614 R618	F519-L616 HydrophobicContact CE2-CD1 4.04Å; F519-L616 HydrophobicContact CZ-CD1 3.99Å; I531-L616 HydrophobicContact CD1-CD1 3.82Å; F542-L616 HydrophobicContact CD1-CB 4.08Å; F542-L616 HydrophobicContact CE1-CB 3.87Å; F542-L616 HydrophobicContact CZ-CB 4.25Å; L583-L616 HydrophobicContact CD1-CD2 3.93Å; L583-L616 HydrophobicContact CD2-CD2 3.99Å; F591-L616 HydrophobicContact CB-CD2 4.42Å; F591-L616 HydrophobicContact CD1-CD1 4.05Å; F591-L616 HydrophobicContact CD2-CD1 3.66Å; F591-L616 HydrophobicContact CD2-CD2 4.08Å; F591-L616 HydrophobicContact CD2-CG 3.68Å; F591-L616 HydrophobicContact CE1-CD1 3.83Å; F591-L616 HydrophobicContact CE2-CD1 3.41Å; F591-L616 VanDerWaalsContact CE2-CD1 3.41Å; F591-L616 HydrophobicContact CE2-CG 3.85Å; F591-L616 HydrophobicContact CG-CD1 3.99Å; F591-L616 HydrophobicContact CG-CD2 4.08Å; F591-L616 HydrophobicContact CG-CG 4.14Å; F591-L616 HydrophobicContact CZ-CD1 3.52Å; F591-L616 HydrophobicContact CZ-CG 4.43Å; V613-L616 WeakPolarHBondContact O-CB 3.31Å; V613-L616 PolarHBondContact O-N 2.87Å; S614-L616 VanDerWaalsContact C-N 3.34Å; L616-R618 PolarHBondContact O-N 3.41Å
617	E	90.2	Very high	90.3	Very high	21 Å²	21	46.8 Å²	46.8	10%	0.098	23%	0.232	C	C	.	.	S	Bend	trans	-83.3	52.7	-176.8	-57.2	175.6	148.4	0	0	112.1	R527 I544 I554 V613	R527-E617 IonicContact CZ-OE1 2.73Å; R527-E617 IonicContact CZ-OE2 3.14Å; R527-E617 IonicContact NE-OE1 3.32Å; R527-E617 PolarHBondContact NE-OE1 3.28Å; R527-E617 IonicContact NE-OE2 2.82Å; R527-E617 VanDerWaalsContact NH2-CD 3.32Å; R527-E617 IonicContact NH2-OE1 3.4Å; R527-E617 PolarHBondContact NH2-OE1 3Å; R527-E617 IonicContact NH2-OE2 2.63Å; R527-E617 PolarHBondContact NH2-OE2 3.22Å; I544-E617 HydrophobicContact CD1-CG 4.07Å; I554-E617 VanDerWaalsContact CG2-C 3.48Å; I554-E617 HydrophobicContact CG2-CB 3.81Å; I554-E617 WeakPolarHBondContact CG2-O 3.47Å; V613-E617 HydrophobicContact CG1-CG 4.31Å; V613-E617 PolarHBondContact O-N 3.47Å
618	R	87.6	Confident	90.6	Very high	162 Å²	162	43 Å²	43	61%	0.611	21%	0.208	S	C	*	.	S	Bend	trans	-140.7	141	172.3	-66.1	-174.3	-175.4	-176.8	0.1	110.3	K581 L616 L620	K581-R618 PolarHBondContact NZ-O 3.38Å; L616-R618 PolarHBondContact O-N 3.41Å; R618-L620 VanDerWaalsContact C-N 3.3Å; R618-L620 PolarHBondContact O-N 2.87Å
619	D	87.2	Confident	90.7	Very high	139 Å²	139	40.9 Å²	40.9	74%	0.743	20%	0.2	S	C	*	.	S	Bend	trans	51.6	46.3	175.8	-54.9	-44.6	0	0	0	112.9
620	L	93.1	Very high	90.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-75.1	140.9	177.3	-78.2	144.4	0	0	0	110.5	F542 I544 I554 V555 S556 A579 K581 R618	F542-L620 HydrophobicContact CD1-CD2 3.85Å; F542-L620 HydrophobicContact CE1-CD2 3.98Å; I544-L620 HydrophobicContact CD1-CD1 4.49Å; I544-L620 HydrophobicContact CG2-CD1 3.91Å; I544-L620 HydrophobicContact CG2-CD2 3.88Å; I544-L620 HydrophobicContact CG2-CG 4.47Å; I554-L620 HydrophobicContact CG2-CD1 3.49Å; I554-L620 VanDerWaalsContact CG2-CD1 3.49Å; I554-L620 PolarHBondContact O-N 3.15Å; V555-L620 HydrophobicContact CG1-CB 4.02Å; V555-L620 WeakPolarHBondContact CG1-O 3.29Å; S556-L620 PolarHBondContact N-O 3.25Å; S556-L620 PolarHBondContact OG-O 3.34Å; A579-L620 HydrophobicContact CB-CB 4Å; K581-L620 HydrophobicContact CB-CD2 3.7Å; K581-L620 HydrophobicContact CB-CG 4.49Å; R618-L620 VanDerWaalsContact C-N 3.3Å; R618-L620 PolarHBondContact O-N 2.87Å
621	Q	93.7	Very high	91	Very high	100 Å²	100	39.9 Å²	39.9	47%	0.467	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.5	172.7	-177.3	-174.8	8.1	0	0	109.7	A579 K580 L623	A579-Q621 CarbonylContact C-O 3.38Å; A579-Q621 WeakPolarHBondContact CA-O 3.34Å; A579-Q621 VanDerWaalsContact CB-O 3.29Å; A579-Q621 WeakPolarHBondContact CB-O 3.48Å; K580-Q621 HydrophobicContact CG-CB 4.48Å; K580-Q621 PolarHBondContact N-O 3.42Å; K580-Q621 WeakPolarHBondContact O-CB 3.36Å; K580-Q621 PolarHBondContact O-N 3.31Å; Q621-L623 PolarHBondContact O-N 3.46Å
622	L	93.9	Very high	91.1	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128.8	172	-179.1	64.4	0	0	0	110.3	V555 N558 W560 L561 V577	V555-L622 HydrophobicContact CB-CB 4.5Å; V555-L622 HydrophobicContact CG1-CB 3.92Å; V555-L622 HydrophobicContact CG1-CD1 4.28Å; N558-L622 HydrophobicContact CB-CD2 3.96Å; W560-L622 HydrophobicContact CH2-CD2 3.83Å; W560-L622 HydrophobicContact CZ2-CD2 3.37Å; W560-L622 HydrophobicContact CZ2-CG 4.18Å; L561-L622 HydrophobicContact CB-CD2 4.29Å; L561-L622 HydrophobicContact CD1-CD1 4.34Å; L561-L622 HydrophobicContact CD1-CD2 4.15Å; L561-L622 HydrophobicContact CD2-CD1 4.43Å; L561-L622 HydrophobicContact CD2-CD2 4.14Å; L561-L622 HydrophobicContact CG-CD2 4.43Å; V577-L622 HydrophobicContact CG1-CD1 3.46Å; V577-L622 VanDerWaalsContact CG1-CD1 3.46Å
623	L	93.2	Very high	91.2	Very high	2 Å²	2	36 Å²	36	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-54.5	176.4	-69.2	177.6	0	0	0	111.4	L441 K444 A448 Y543 V578 K580 Q621	L441-L623 HydrophobicContact CD1-CD2 4.44Å; K444-L623 HydrophobicContact CB-CD2 4.23Å; A448-L623 HydrophobicContact CB-CD1 3.57Å; Y543-L623 HydrophobicContact CD1-CD1 4.36Å; Y543-L623 HydrophobicContact CE1-CD1 4.15Å; V578-L623 PolarHBondContact O-N 3.08Å; K580-L623 HydrophobicContact CB-CD1 3.87Å; K580-L623 HydrophobicContact CB-CG 4.35Å; K580-L623 HydrophobicContact CD-CD1 4.06Å; K580-L623 HydrophobicContact CD-CD2 4.03Å; K580-L623 HydrophobicContact CD-CG 4.42Å; K580-L623 HydrophobicContact CG-CD1 3.92Å; K580-L623 HydrophobicContact CG-CD2 3.98Å; K580-L623 HydrophobicContact CG-CG 4.02Å; Q621-L623 PolarHBondContact O-N 3.46Å
624	C	93.7	Very high	91.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.8	-177	68.2	0	0	0	0	112.7	L406 H407 L408 A445 V578	L406-C624 HydrophobicContact CD1-CB 3.67Å; H407-C624 CarbonylContact O-C 3.52Å; H407-C624 WeakPolarHBondContact O-CA 3.44Å; H407-C624 WeakPolarHBondContact O-CB 2.73Å; L408-C624 HydrophobicContact CD2-CB 3.55Å; A445-C624 HydrophobicContact CB-CB 3.98Å; V578-C624 PolarHBondContact N-O 2.61Å; V578-C624 PolarHBondContact O-N 3.15Å
625	L	94.5	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	166.5	170.5	67	0	0	0	107.9	H407 W560 L561 E564 C565 L568 T575 V577	H407-L625 HydrophobicContact CB-CB 4.19Å; H407-L625 PolarHBondContact N-O 2.98Å; H407-L625 PolarHBondContact O-N 2.87Å; W560-L625 HydrophobicContact CH2-CB 4.17Å; W560-L625 HydrophobicContact CZ3-CB 3.98Å; W560-L625 HydrophobicContact CZ3-CD2 4.21Å; L561-L625 HydrophobicContact CD1-CB 4.46Å; L561-L625 HydrophobicContact CD1-CD2 4.45Å; E564-L625 HydrophobicContact CB-CD2 3.99Å; C565-L625 HydrophobicContact CB-CD2 4.44Å; C565-L625 WeakPolarHBondContact SG-CD1 3.36Å; C565-L625 VanDerWaalsContact SG-CD2 3.57Å; L568-L625 HydrophobicContact CD1-CD1 4.47Å; L568-L625 HydrophobicContact CD1-CD2 3.59Å; L568-L625 HydrophobicContact CD1-CG 3.72Å; T575-L625 HydrophobicContact CG2-CD1 4.34Å; V577-L625 HydrophobicContact CG2-CD1 3.95Å
626	T	94.4	Very high	91.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.2	-178.4	58.4	0	0	0	0	111	F403 L406 L449 L482 T575 L576	F403-T626 HydrophobicContact CE2-CG2 3.71Å; F403-T626 HydrophobicContact CZ-CG2 4.1Å; L406-T626 HydrophobicContact CD1-CG2 3.98Å; L449-T626 HydrophobicContact CD1-CG2 4.25Å; L449-T626 HydrophobicContact CD2-CG2 3.99Å; L482-T626 HydrophobicContact CD2-CG2 4.1Å; T575-T626 WeakPolarHBondContact CA-O 3.33Å; L576-T626 WeakPolarHBondContact CB-OG1 3.07Å; L576-T626 PolarHBondContact N-O 2.85Å; L576-T626 VanDerWaalsContact N-O 3.1Å; L576-T626 PolarHBondContact O-N 2.98Å; L576-T626 PolarHBondContact O-OG1 3.47Å
627	G	92.7	Very high	92	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	110.7	174.4	0	0	0	0	0	110.8	K404 K405 R574	K404-G627 PolarHBondContact N-O 3.01Å; K405-G627 PolarHBondContact N-O 3.36Å; K405-G627 PolarHBondContact O-N 3.41Å; R574-G627 WeakPolarHBondContact O-CA 3.31Å
628	V	92.1	Very high	92.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.8	176.5	-178.8	0	0	0	0	109.4	M401 F403 A481 L482 R574	M401-V628 HydrophobicContact CB-CG1 3.96Å; F403-V628 HydrophobicContact CD2-CG2 4.07Å; A481-V628 HydrophobicContact CB-CG1 4.32Å; L482-V628 HydrophobicContact CD2-CG2 4.2Å; L482-V628 HydrophobicContact CG-CG2 4.47Å; R574-V628 WeakPolarHBondContact CB-O 3.41Å; R574-V628 PolarHBondContact N-O 3.04Å; R574-V628 PolarHBondContact O-N 3.49Å
629	E	90.4	Very high	92.6	Very high	48 Å²	48	34 Å²	34	22%	0.224	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	174.8	-171.2	-179	-165.5	0	0	110.5	M401 I402 K404 L573 Q631	M401-E629 WeakPolarHBondContact CA-O 3.45Å; I402-E629 PolarHBondContact N-O 2.86Å; I402-E629 PolarHBondContact O-N 3.33Å; K404-E629 WeakPolarHBondContact CE-OE2 3.4Å; K404-E629 HydrophobicContact CG-CB 3.71Å; K404-E629 IonicContact NZ-OE2 3.64Å; L573-E629 HydrophobicContact CD2-CB 3.67Å; L573-E629 HydrophobicContact CD2-CG 4.23Å; E629-Q631 PolarHBondContact O-N 2.92Å
630	D	88.6	Confident	92.9	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	99.4	163.3	-178.2	-0.6	0	0	0	107.4	K392 T397 M401 R574 L632 I664	K392-D630 IonicContact NZ-OD2 3.69Å; K392-D630 PolarHBondContact NZ-OD2 3.44Å; T397-D630 WeakPolarHBondContact CB-OD1 3.43Å; T397-D630 PolarHBondContact OG1-OD1 2.96Å; M401-D630 HydrophobicContact CE-CB 4.06Å; M401-D630 HydrophobicContact SD-CB 3.52Å; M401-D630 VanDerWaalsContact SD-CB 3.52Å; R574-D630 IonicContact CZ-OD2 2.67Å; R574-D630 IonicContact NH2-OD2 3.46Å; R574-D630 PolarHBondContact NH2-OD2 3.46Å; D630-L632 PolarHBondContact O-N 2.94Å; D630-I664 HydrophobicContact CB-CD1 3.91Å
631	Q	89.9	Confident	92.9	Very high	60 Å²	60	33.7 Å²	33.7	28%	0.28	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.7	-165.9	-168.3	180	22.1	0	0	111.2	T397 Q398 N400 I402 E629	T397-Q631 CarbonylContact C-O 3.45Å; T397-Q631 WeakPolarHBondContact CA-O 3.15Å; Q398-Q631 PolarHBondContact N-O 3.38Å; N400-Q631 HydrophobicContact CB-CB 4.49Å; N400-Q631 PolarHBondContact ND2-OE1 3.4Å; N400-Q631 WeakPolarHBondContact O-CB 3.49Å; N400-Q631 PolarHBondContact O-N 3.1Å; I402-Q631 HydrophobicContact CD1-CB 4.32Å; I402-Q631 HydrophobicContact CD1-CG 4.37Å; E629-Q631 PolarHBondContact O-N 2.92Å
632	L	92.4	Very high	93	Very high	29 Å²	29	30.9 Å²	30.9	15%	0.152	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	155.3	174.1	-63	176.5	0	0	0	111.7	L396 T397 Q398 D630 V636 I664 S667	L396-L632 CarbonylContact O-C 3.6Å; L396-L632 WeakPolarHBondContact O-CA 3.3Å; T397-L632 HydrophobicContact CG2-CD2 4.19Å; Q398-L632 PolarHBondContact NE2-O 3.28Å; D630-L632 PolarHBondContact O-N 2.94Å; L632-V636 HydrophobicContact CB-CB 4.46Å; L632-I664 HydrophobicContact CD2-CD1 4.37Å; L632-I664 HydrophobicContact CD2-CG2 4.16Å; L632-S667 WeakPolarHBondContact CD1-O 3.47Å
633	Q	92	Very high	93	Very high	25 Å²	25	30.3 Å²	30.3	12%	0.117	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-62.2	162.6	164.5	-63.6	-161.4	8.8	0	0	111	G394 T395 L396 Q398 D635 V636 F799	G394-Q633 PolarHBondContact O-NE2 2.93Å; T395-Q633 VanDerWaalsContact O-CD 3.23Å; T395-Q633 PolarHBondContact O-NE2 3.32Å; L396-Q633 PolarHBondContact O-N 2.85Å; Q398-Q633 HydrophobicContact CG-CB 4.4Å; Q398-Q633 HydrophobicContact CG-CG 3.94Å; Q633-D635 PolarHBondContact O-N 3.11Å; Q633-V636 HydrophobicContact CB-CG2 3.61Å; Q633-V636 WeakPolarHBondContact O-CG2 3.47Å; Q633-F799 HydrophobicContact CB-CB 4.48Å
634	V	91.3	Very high	92.9	Very high	72 Å²	72	34 Å²	34	44%	0.436	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.8	177.6	-176.6	0	0	0	0	110	V636 S800	V634-V636 PolarHBondContact O-N 3.47Å; V634-V636 VanDerWaalsContact O-N 3.09Å; V634-S800 WeakPolarHBondContact O-CB 2.92Å
635	D	93.1	Very high	92.8	Very high	87 Å²	87	37.4 Å²	37.4	47%	0.465	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	26	173.7	-57.9	-29.2	0	0	0	116.6	Q633 G637 I638 T639	Q633-D635 PolarHBondContact O-N 3.11Å; D635-G637 VanDerWaalsContact C-N 3.35Å; D635-G637 PolarHBondContact O-N 3.15Å; D635-I638 HydrophobicContact CB-CB 4.43Å; D635-I638 HydrophobicContact CB-CD1 4.41Å; D635-I638 PolarHBondContact O-N 3.04Å; D635-T639 VanDerWaalsContact O-CB 3.25Å; D635-T639 WeakPolarHBondContact O-CB 3.24Å; D635-T639 PolarHBondContact O-N 2.8Å; D635-T639 PolarHBondContact O-OG1 3Å
636	V	95	Very high	92.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-46.9	177.2	169.2	0	0	0	0	111.7	L396 L632 Q633 V634 T639 L640 F799	L396-V636 HydrophobicContact CD2-CG1 3.64Å; L632-V636 HydrophobicContact CB-CB 4.46Å; Q633-V636 HydrophobicContact CB-CG2 3.61Å; Q633-V636 WeakPolarHBondContact O-CG2 3.47Å; V634-V636 PolarHBondContact O-N 3.47Å; V634-V636 VanDerWaalsContact O-N 3.09Å; V636-T639 PolarHBondContact O-N 3.18Å; V636-L640 HydrophobicContact CG1-CD1 3.92Å; V636-L640 HydrophobicContact CG1-CG 4.47Å; V636-L640 WeakPolarHBondContact O-CG 3.23Å; V636-L640 PolarHBondContact O-N 2.84Å; V636-F799 HydrophobicContact CB-CD1 4.29Å; V636-F799 HydrophobicContact CG1-CD1 4.26Å; V636-F799 HydrophobicContact CG1-CE1 4.28Å; V636-F799 HydrophobicContact CG2-CB 4.13Å; V636-F799 HydrophobicContact CG2-CD1 3.88Å; V636-F799 HydrophobicContact CG2-CG 4.19Å
637	G	93.4	Very high	92.6	Very high	27 Å²	27	39.1 Å²	39.1	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-47.6	-179.8	0	0	0	0	0	113	D635 T639 L640 E641 S668	D635-G637 VanDerWaalsContact C-N 3.35Å; D635-G637 PolarHBondContact O-N 3.15Å; G637-T639 VanDerWaalsContact C-N 3.32Å; G637-T639 PolarHBondContact O-N 2.82Å; G637-L640 PolarHBondContact O-N 2.82Å; G637-E641 WeakPolarHBondContact O-CB 3.34Å; G637-E641 PolarHBondContact O-N 3.47Å; G637-S668 WeakPolarHBondContact CA-O 3.48Å
638	I	94.1	Very high	92.7	Very high	98 Å²	98	39.4 Å²	39.4	50%	0.503	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-43.6	177.6	-57.7	175.1	0	0	0	110.2	D635 E641 L642	D635-I638 HydrophobicContact CB-CB 4.43Å; D635-I638 HydrophobicContact CB-CD1 4.41Å; D635-I638 PolarHBondContact O-N 3.04Å; I638-E641 PolarHBondContact O-N 2.82Å; I638-L642 HydrophobicContact CG2-CD1 4.17Å; I638-L642 HydrophobicContact CG2-CG 4.46Å; I638-L642 WeakPolarHBondContact O-CG 3.14Å; I638-L642 PolarHBondContact O-N 2.86Å
639	T	95.6	Very high	92.8	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-47.2	179.6	-60.4	0	0	0	0	111.4	D635 V636 G637 E641 L642 L643 F799 S800 L802 A803	D635-T639 VanDerWaalsContact O-CB 3.25Å; D635-T639 WeakPolarHBondContact O-CB 3.24Å; D635-T639 PolarHBondContact O-N 2.8Å; D635-T639 PolarHBondContact O-OG1 3Å; V636-T639 PolarHBondContact O-N 3.18Å; G637-T639 VanDerWaalsContact C-N 3.32Å; G637-T639 PolarHBondContact O-N 2.82Å; T639-E641 VanDerWaalsContact C-N 3.32Å; T639-E641 PolarHBondContact O-N 3Å; T639-L642 PolarHBondContact O-N 3.09Å; T639-L643 HydrophobicContact CG2-CD1 4.2Å; T639-L643 WeakPolarHBondContact O-CB 3.17Å; T639-L643 VanDerWaalsContact O-CG 3.25Å; T639-L643 WeakPolarHBondContact O-CG 3.21Å; T639-L643 PolarHBondContact O-N 2.77Å; T639-F799 HydrophobicContact CG2-CD1 3.85Å; T639-F799 HydrophobicContact CG2-CE1 3.58Å; T639-S800 WeakPolarHBondContact OG1-CA 3.49Å; T639-L802 HydrophobicContact CG2-CB 4.39Å; T639-A803 HydrophobicContact CG2-CB 3.98Å
640	L	94.9	Very high	93	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-38	177.5	-74.9	173.1	0	0	0	112	L396 V636 G637 L643 K644 A650 S668 L670 F799	L396-L640 HydrophobicContact CD2-CD1 4.39Å; V636-L640 HydrophobicContact CG1-CD1 3.92Å; V636-L640 HydrophobicContact CG1-CG 4.47Å; V636-L640 WeakPolarHBondContact O-CG 3.23Å; V636-L640 PolarHBondContact O-N 2.84Å; G637-L640 PolarHBondContact O-N 2.82Å; L640-L643 PolarHBondContact O-N 2.88Å; L640-K644 VanDerWaalsContact O-CB 3.3Å; L640-K644 WeakPolarHBondContact O-CB 3.18Å; L640-K644 PolarHBondContact O-N 2.93Å; L640-A650 HydrophobicContact CD2-CB 3.86Å; L640-S668 WeakPolarHBondContact CD1-O 3Å; L640-L670 HydrophobicContact CD1-CD1 4.07Å; L640-L670 HydrophobicContact CD2-CD1 4.42Å; L640-F799 HydrophobicContact CD2-CE1 4.16Å; L640-F799 HydrophobicContact CD2-CZ 3.84Å; L640-F799 HydrophobicContact CG-CE1 4.03Å; L640-F799 HydrophobicContact CG-CZ 4.19Å
641	E	92.7	Very high	93.3	Very high	122 Å²	122	40.4 Å²	40.4	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-65.7	-44.6	175.7	-172.3	170.4	-167.2	0	0	112	G637 I638 T639 L643 K644 N645	G637-E641 WeakPolarHBondContact O-CB 3.34Å; G637-E641 PolarHBondContact O-N 3.47Å; I638-E641 PolarHBondContact O-N 2.82Å; T639-E641 VanDerWaalsContact C-N 3.32Å; T639-E641 PolarHBondContact O-N 3Å; E641-L643 VanDerWaalsContact C-N 3.32Å; E641-L643 PolarHBondContact O-N 2.89Å; E641-K644 PolarHBondContact O-N 3.35Å; E641-N645 WeakPolarHBondContact O-CB 3.36Å; E641-N645 VanDerWaalsContact O-CG 3.24Å; E641-N645 PolarHBondContact O-N 2.89Å; E641-N645 PolarHBondContact O-ND2 3.47Å
642	L	94.2	Very high	93.6	Very high	42 Å²	42	37.6 Å²	37.6	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-43.5	174.1	-74.4	173.3	0	0	0	111.9	I638 T639 N645 A646 A803 L807 P885	I638-L642 HydrophobicContact CG2-CD1 4.17Å; I638-L642 HydrophobicContact CG2-CG 4.46Å; I638-L642 WeakPolarHBondContact O-CG 3.14Å; I638-L642 PolarHBondContact O-N 2.86Å; T639-L642 PolarHBondContact O-N 3.09Å; L642-N645 PolarHBondContact O-N 3.01Å; L642-A646 WeakPolarHBondContact O-CB 3.42Å; L642-A646 PolarHBondContact O-N 3.32Å; L642-A803 HydrophobicContact CD1-CB 4.25Å; L642-L807 HydrophobicContact CB-CD1 4.36Å; L642-P885 HydrophobicContact CD2-CG 4.13Å; L642-P885 WeakPolarHBondContact O-CB 3.34Å
643	L	94.4	Very high	93.7	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-39.9	178.1	-68.9	177.9	0	0	0	112.2	L388 T639 L640 E641 N645 A646 G647 V648 L802 L806	L388-L643 HydrophobicContact CD2-CD1 3.84Å; T639-L643 HydrophobicContact CG2-CD1 4.2Å; T639-L643 WeakPolarHBondContact O-CB 3.17Å; T639-L643 VanDerWaalsContact O-CG 3.25Å; T639-L643 WeakPolarHBondContact O-CG 3.21Å; T639-L643 PolarHBondContact O-N 2.77Å; L640-L643 PolarHBondContact O-N 2.88Å; E641-L643 VanDerWaalsContact C-N 3.32Å; E641-L643 PolarHBondContact O-N 2.89Å; L643-N645 VanDerWaalsContact C-N 3.34Å; L643-N645 PolarHBondContact O-N 3.43Å; L643-A646 CarbonylContact O-C 3.54Å; L643-A646 WeakPolarHBondContact O-CA 3.22Å; L643-A646 WeakPolarHBondContact O-CB 3.3Å; L643-A646 PolarHBondContact O-N 2.95Å; L643-A646 VanDerWaalsContact O-N 3.16Å; L643-G647 PolarHBondContact O-N 3Å; L643-G647 VanDerWaalsContact O-N 3.16Å; L643-V648 HydrophobicContact CB-CB 4.2Å; L643-V648 HydrophobicContact CD2-CG2 4.48Å; L643-V648 WeakPolarHBondContact O-CB 3.16Å; L643-V648 PolarHBondContact O-N 2.91Å; L643-L802 HydrophobicContact CD1-CD2 3.87Å; L643-L802 HydrophobicContact CD1-CG 4.23Å; L643-L806 HydrophobicContact CD2-CB 4.42Å; L643-L806 HydrophobicContact CD2-CD1 3.78Å
644	K	92	Very high	93.6	Very high	81 Å²	81	35 Å²	35	35%	0.352	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-44.6	173.2	-176.3	178.5	178.2	178.6	0	110.8	L640 E641 A646 G647 S672	L640-K644 VanDerWaalsContact O-CB 3.3Å; L640-K644 WeakPolarHBondContact O-CB 3.18Å; L640-K644 PolarHBondContact O-N 2.93Å; E641-K644 PolarHBondContact O-N 3.35Å; K644-A646 VanDerWaalsContact C-N 3.3Å; K644-A646 PolarHBondContact O-N 3.33Å; K644-G647 WeakPolarHBondContact O-CA 3.49Å; K644-G647 PolarHBondContact O-N 3.29Å; K644-S672 PolarHBondContact NZ-OG 2.88Å
645	N	92.3	Very high	93.1	Very high	71 Å²	71	32.2 Å²	32.2	38%	0.38	18%	0.18	S	C	.	.	H	α-helix	trans	-65.3	-33.3	175.4	-68.6	-21.7	0	0	0	111.9	E641 L642 L643 G647 P885 D886 K889	E641-N645 WeakPolarHBondContact O-CB 3.36Å; E641-N645 VanDerWaalsContact O-CG 3.24Å; E641-N645 PolarHBondContact O-N 2.89Å; E641-N645 PolarHBondContact O-ND2 3.47Å; L642-N645 PolarHBondContact O-N 3.01Å; L643-N645 VanDerWaalsContact C-N 3.34Å; L643-N645 PolarHBondContact O-N 3.43Å; N645-G647 PolarHBondContact O-N 3.41Å; N645-P885 HydrophobicContact CB-CB 4.4Å; N645-P885 HydrophobicContact CB-CG 3.65Å; N645-D886 VanDerWaalsContact O-OD1 3.11Å; N645-K889 WeakPolarHBondContact O-CE 3.22Å; N645-K889 PolarHBondContact O-NZ 2.86Å
646	A	93.1	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.4	170.8	0	0	0	0	0	114.2	L642 L643 K644 V648 L807 P885 Y888 K889	L642-A646 WeakPolarHBondContact O-CB 3.42Å; L642-A646 PolarHBondContact O-N 3.32Å; L643-A646 CarbonylContact O-C 3.54Å; L643-A646 WeakPolarHBondContact O-CA 3.22Å; L643-A646 WeakPolarHBondContact O-CB 3.3Å; L643-A646 PolarHBondContact O-N 2.95Å; L643-A646 VanDerWaalsContact O-N 3.16Å; K644-A646 VanDerWaalsContact C-N 3.3Å; K644-A646 PolarHBondContact O-N 3.33Å; A646-V648 HydrophobicContact CB-CG2 4.46Å; A646-L807 HydrophobicContact CB-CD2 3.49Å; A646-L807 VanDerWaalsContact CB-CD2 3.49Å; A646-P885 WeakPolarHBondContact CA-O 3.5Å; A646-P885 HydrophobicContact CB-CB 4.05Å; A646-Y888 HydrophobicContact CB-CD1 4.13Å; A646-Y888 HydrophobicContact CB-CG 4.18Å; A646-K889 WeakPolarHBondContact O-CG 3.25Å
647	G	91.5	Very high	91.6	Very high	36 Å²	36	31 Å²	31	37%	0.371	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	16.6	-178.7	0	0	0	0	0	114.5	L643 K644 N645	L643-G647 PolarHBondContact O-N 3Å; L643-G647 VanDerWaalsContact O-N 3.16Å; K644-G647 WeakPolarHBondContact O-CA 3.49Å; K644-G647 PolarHBondContact O-N 3.29Å; N645-G647 PolarHBondContact O-N 3.41Å
648	V	94.1	Very high	91.1	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-87.3	125.8	172.8	-175.6	0	0	0	0	109	I385 Q386 L388 L643 A646 Y888	I385-V648 HydrophobicContact CG2-CG1 4.24Å; Q386-V648 WeakPolarHBondContact O-CA 3.18Å; L388-V648 HydrophobicContact CB-CG1 3.84Å; L643-V648 HydrophobicContact CB-CB 4.2Å; L643-V648 HydrophobicContact CD2-CG2 4.48Å; L643-V648 WeakPolarHBondContact O-CB 3.16Å; L643-V648 PolarHBondContact O-N 2.91Å; A646-V648 HydrophobicContact CB-CG2 4.46Å; V648-Y888 HydrophobicContact CG2-CD1 4.43Å; V648-Y888 HydrophobicContact CG2-CE1 4.03Å
649	K	93.2	Very high	90.4	Very high	62 Å²	62	31.7 Å²	31.7	27%	0.27	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.9	175.5	-65	-167.7	172.8	-153.4	0	110.1	Q386 Y387 L388 S727 C729	Q386-K649 PolarHBondContact O-N 2.67Å; Y387-K649 WeakPolarHBondContact CA-O 3.26Å; Y387-K649 HydrophobicContact CD1-CB 4.16Å; Y387-K649 HydrophobicContact CE1-CB 4.29Å; Y387-K649 HydrophobicContact CE1-CD 4.12Å; L388-K649 PolarHBondContact N-O 2.88Å; K649-S727 PolarHBondContact NZ-O 3Å; K649-C729 PolarHBondContact NZ-O 3.1Å
650	A	94.8	Very high	89.7	Confident	12 Å²	12	32.5 Å²	32.5	10%	0.099	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.5	178.6	0	0	0	0	0	111.1	L388 L640 L670 S731	L388-A650 CarbonylContact O-C 3.35Å; L388-A650 WeakPolarHBondContact O-CA 3.43Å; L640-A650 HydrophobicContact CD2-CB 3.86Å; A650-L670 HydrophobicContact CB-CD1 3.95Å; A650-S731 WeakPolarHBondContact O-CA 3.24Å; A650-S731 WeakPolarHBondContact O-CB 3.09Å
651	W	96.1	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.4	174.2	-71.2	19.8	0	0	0	108.1	Y387 L388 L389 C390 I723 S726 V732 V745 L749	Y387-W651 HydrophobicContact CD1-CZ2 4.33Å; Y387-W651 AromaticContact CD1-NE1 3.96Å; Y387-W651 HydrophobicContact CE1-CZ2 4.05Å; L388-W651 PolarHBondContact O-N 3.32Å; L389-W651 CarbonylContact C-O 3.55Å; L389-W651 VanDerWaalsContact CA-O 3.31Å; L389-W651 WeakPolarHBondContact CA-O 3.2Å; L389-W651 HydrophobicContact CG-CB 4.18Å; C390-W651 PolarHBondContact N-O 3.27Å; C390-W651 PolarHBondContact SG-O 3.45Å; W651-I723 HydrophobicContact CH2-CD1 4.25Å; W651-I723 HydrophobicContact CZ3-CD1 4.48Å; W651-S726 WeakPolarHBondContact CH2-OG 3.31Å; W651-V732 CarbonylContact C-O 3.01Å; W651-V732 VanDerWaalsContact CA-O 3.25Å; W651-V732 WeakPolarHBondContact CA-O 3.25Å; W651-V732 HydrophobicContact CB-CB 4.34Å; W651-V732 HydrophobicContact CD2-CB 3.69Å; W651-V732 HydrophobicContact CD2-CG1 4.37Å; W651-V732 HydrophobicContact CD2-CG2 3.82Å; W651-V732 VanDerWaalsContact CE2-CG2 3.41Å; W651-V732 HydrophobicContact CE3-CB 4.18Å; W651-V732 HydrophobicContact CE3-CG1 4.36Å; W651-V732 HydrophobicContact CE3-CG2 4.42Å; W651-V732 HydrophobicContact CG-CB 3.75Å; W651-V732 HydrophobicContact CG-CG2 4.16Å; W651-V732 HydrophobicContact CH2-CG2 4.34Å; W651-V732 HydrophobicContact CZ2-CB 4.48Å; W651-V732 HydrophobicContact CZ2-CG2 3.71Å; W651-V745 HydrophobicContact CE3-CG1 4.13Å; W651-V745 HydrophobicContact CZ3-CG1 3.99Å; W651-L749 HydrophobicContact CE3-CD2 4.48Å; W651-L749 HydrophobicContact CH2-CD1 3.87Å; W651-L749 HydrophobicContact CZ2-CD1 4.27Å; W651-L749 HydrophobicContact CZ3-CD1 4.35Å; W651-L749 HydrophobicContact CZ3-CD2 4.34Å
652	M	95.7	Very high	88.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.6	176.6	-173.2	-171	-59.7	0	0	109.1	C390 K392 L396 I664 A665 L670 V732 V733 C734	C390-M652 CarbonylContact O-C 3.48Å; C390-M652 WeakPolarHBondContact O-CA 3.13Å; K392-M652 HydrophobicContact CB-CG 4.37Å; K392-M652 HydrophobicContact CB-SD 4.17Å; K392-M652 HydrophobicContact CG-SD 4.17Å; L396-M652 HydrophobicContact CD1-CE 3.6Å; L396-M652 HydrophobicContact CD1-CG 4.33Å; L396-M652 HydrophobicContact CD1-SD 4.44Å; M652-I664 HydrophobicContact CE-CB 4.45Å; M652-I664 HydrophobicContact CE-CG2 3.88Å; M652-I664 HydrophobicContact SD-CG2 4.43Å; M652-A665 HydrophobicContact CE-CB 4.11Å; M652-L670 HydrophobicContact CB-CD2 4.48Å; M652-L670 HydrophobicContact CE-CD1 4.4Å; M652-L670 HydrophobicContact CE-CD2 4.45Å; M652-V732 PolarHBondContact N-O 3.49Å; M652-V733 HydrophobicContact CB-CG1 4.45Å; M652-V733 HydrophobicContact CB-CG2 4.23Å; M652-V733 CarbonylContact O-C 3.55Å; M652-V733 WeakPolarHBondContact O-CA 3.45Å; M652-V733 HydrophobicContact SD-CG1 4.3Å; M652-C734 PolarHBondContact O-N 2.94Å
653	L	94.3	Very high	88.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.1	176.5	-56.5	-175.1	0	0	0	108.8	L389 C390 C734 K742 V745 M770	L389-L653 HydrophobicContact CB-CD1 4.23Å; L389-L653 HydrophobicContact CD2-CD1 3.47Å; L389-L653 VanDerWaalsContact CD2-CD1 3.47Å; L389-L653 HydrophobicContact CD2-CG 4.28Å; L389-L653 HydrophobicContact CG-CD1 4.19Å; C390-L653 PolarHBondContact O-N 3.42Å; L653-C734 HydrophobicContact CD2-CB 3.48Å; L653-C734 VanDerWaalsContact CD2-CB 3.48Å; L653-C734 WeakPolarHBondContact CD2-SG 3.29Å; L653-K742 HydrophobicContact CB-CD 4.34Å; L653-K742 HydrophobicContact CB-CG 4.15Å; L653-K742 HydrophobicContact CD1-CB 4.2Å; L653-K742 HydrophobicContact CD1-CG 4.43Å; L653-K742 WeakPolarHBondContact O-CE 3.32Å; L653-V745 HydrophobicContact CD1-CB 4.29Å; L653-V745 HydrophobicContact CD1-CG1 4.28Å; L653-V745 HydrophobicContact CD2-CG1 4.31Å; L653-M770 HydrophobicContact CB-SD 4.49Å; L653-M770 HydrophobicContact CD1-SD 3.83Å
654	T	90.1	Very high	88.3	Confident	1 Å²	1	26 Å²	26	1%	0.006	14%	0.143	C	C	.	.			trans	-127.8	148.8	-174.5	-176.8	0	0	0	0	112.9	K392 D656 A661 C734 C735 R736 C737	K392-T654 HydrophobicContact CB-CG2 4.49Å; T654-D656 HydrophobicContact CG2-CB 4.13Å; T654-D656 WeakPolarHBondContact OG1-CB 3.47Å; T654-D656 PolarHBondContact OG1-N 3.26Å; T654-A661 HydrophobicContact CG2-CB 3.58Å; T654-C734 PolarHBondContact N-O 3.45Å; T654-C735 CarbonylContact O-C 3.52Å; T654-R736 PolarHBondContact O-N 3.34Å; T654-C737 PolarHBondContact O-N 3.42Å
655	G	80.9	Confident	88.2	Confident	13 Å²	13	22.2 Å²	22.2	13%	0.134	13%	0.126	C	C	.	.	S	Bend	trans	-73.6	-12.3	166.9	0	0	0	0	0	113	R736	G655-R736 WeakPolarHBondContact O-CA 3.42Å
656	D	80.5	Confident	88	Confident	18 Å²	18	21.7 Å²	21.7	10%	0.096	12%	0.121	C	C	.	.	S	Bend	trans	-72.2	165.1	-176.6	-92.2	-26.7	0	0	0	114.5	K392 T654 T660 R736	K392-D656 VanDerWaalsContact CD-OD2 3.24Å; K392-D656 WeakPolarHBondContact CD-OD2 3.24Å; K392-D656 WeakPolarHBondContact CE-OD2 3.3Å; K392-D656 IonicContact NZ-OD2 3.75Å; K392-D656 PolarHBondContact NZ-OD2 3.02Å; T654-D656 HydrophobicContact CG2-CB 4.13Å; T654-D656 WeakPolarHBondContact OG1-CB 3.47Å; T654-D656 PolarHBondContact OG1-N 3.26Å; D656-T660 HydrophobicContact CB-CG2 4.38Å; D656-R736 WeakPolarHBondContact O-CG 3.27Å; D656-R736 PolarHBondContact O-N 3.4Å
657	K	75.8	Confident	87.8	Confident	46 Å²	46	23.3 Å²	23.3	20%	0.2	13%	0.132	C	C	.	.			trans	-61.3	153.8	171.5	-60.8	176.2	-178.9	163.5	0	111.3	S523 E659 T660 A661	S523-K657 WeakPolarHBondContact OG-CE 3.3Å; S523-K657 PolarHBondContact OG-NZ 2.84Å; K657-E659 VanDerWaalsContact C-N 3.28Å; K657-E659 PolarHBondContact O-N 3Å; K657-T660 PolarHBondContact O-N 3.07Å; K657-A661 WeakPolarHBondContact O-CB 3.42Å; K657-A661 PolarHBondContact O-N 2.91Å
658	V	83.4	Confident	87.7	Confident	46 Å²	46	21.6 Å²	21.6	28%	0.279	12%	0.115	S	C	.	.	H	α-helix	trans	-60.1	-40.2	-175.1	179.8	0	0	0	0	111.4	F662 V705 C735	V658-F662 WeakPolarHBondContact O-CB 3.07Å; V658-F662 PolarHBondContact O-N 3.41Å; V658-V705 HydrophobicContact CG1-CG1 3.76Å; V658-C735 HydrophobicContact CB-CB 4.39Å; V658-C735 HydrophobicContact CG2-CB 3.7Å
659	E	78.7	Confident	87.4	Confident	92 Å²	92	23.2 Å²	23.2	43%	0.43	13%	0.132	S	C	.	.	H	α-helix	trans	-65.1	-46.7	-177.9	-58.2	83.9	173.5	0	0	111.1	K526 K657 F662 C663	K526-E659 IonicContact NZ-OE1 2.68Å; K526-E659 PolarHBondContact NZ-OE1 3.34Å; K657-E659 VanDerWaalsContact C-N 3.28Å; K657-E659 PolarHBondContact O-N 3Å; E659-F662 PolarHBondContact O-N 3.24Å; E659-C663 PolarHBondContact O-N 3.4Å; E659-C663 PolarHBondContact O-SG 3.48Å
660	T	80	Confident	87.2	Confident	21 Å²	21	20.6 Å²	20.6	13%	0.129	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-48.4	176.8	-53.5	0	0	0	0	111.6	D656 K657 F662 C663 I664	D656-T660 HydrophobicContact CB-CG2 4.38Å; K657-T660 PolarHBondContact O-N 3.07Å; T660-F662 PolarHBondContact O-N 2.98Å; T660-C663 PolarHBondContact O-N 3.25Å; T660-I664 PolarHBondContact O-N 3.4Å
661	A	86.5	Confident	86.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-39.9	177.9	0	0	0	0	0	111.4	T654 K657 I664 A665 V733	T654-A661 HydrophobicContact CG2-CB 3.58Å; K657-A661 WeakPolarHBondContact O-CB 3.42Å; K657-A661 PolarHBondContact O-N 2.91Å; A661-I664 PolarHBondContact O-N 3.01Å; A661-A665 WeakPolarHBondContact O-CB 3.5Å; A661-A665 PolarHBondContact O-N 3.3Å; A661-V733 HydrophobicContact CB-CG1 3.83Å
662	F	86.1	Confident	86.1	Confident	25 Å²	25	23.5 Å²	23.5	11%	0.11	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-39.7	177.4	-174.9	-110.6	0	0	0	112.9	V658 E659 T660 A665 K666 V677 L703 V705	V658-F662 WeakPolarHBondContact O-CB 3.07Å; V658-F662 PolarHBondContact O-N 3.41Å; E659-F662 PolarHBondContact O-N 3.24Å; T660-F662 PolarHBondContact O-N 2.98Å; F662-A665 PolarHBondContact O-N 3.46Å; F662-K666 HydrophobicContact CD1-CD 4.47Å; F662-K666 HydrophobicContact CE1-CD 4.05Å; F662-K666 HydrophobicContact CZ-CD 4.38Å; F662-K666 PolarHBondContact O-N 3.01Å; F662-K666 VanDerWaalsContact O-N 3.09Å; F662-V677 HydrophobicContact CE2-CB 4.42Å; F662-V677 HydrophobicContact CE2-CG1 3.84Å; F662-V677 HydrophobicContact CE2-CG2 3.78Å; F662-V677 HydrophobicContact CZ-CG2 4.11Å; F662-L703 HydrophobicContact CD2-CD2 4.43Å; F662-L703 HydrophobicContact CE2-CD2 4.31Å; F662-V705 HydrophobicContact CD2-CG2 4.36Å
663	C	85	Confident	85.2	Confident	16 Å²	16	35.8 Å²	35.8	11%	0.108	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-45	174.3	-66.3	0	0	0	0	111.2	E659 T660 A665 K666 S667	E659-C663 PolarHBondContact O-N 3.4Å; E659-C663 PolarHBondContact O-SG 3.48Å; T660-C663 PolarHBondContact O-N 3.25Å; C663-A665 PolarHBondContact O-N 3.41Å; C663-K666 WeakPolarHBondContact O-CB 3.38Å; C663-K666 PolarHBondContact O-N 3.07Å; C663-S667 PolarHBondContact O-N 3.16Å; C663-S667 PolarHBondContact O-OG 3.24Å
664	I	89.9	Confident	84.5	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-37.9	176	-63.9	-53.4	0	0	0	112.1	K392 L396 T397 D630 L632 M652 T660 A661 K666 S667 S668	K392-I664 HydrophobicContact CD-CB 4.42Å; K392-I664 HydrophobicContact CD-CG1 3.86Å; K392-I664 HydrophobicContact CG-CB 4.05Å; K392-I664 HydrophobicContact CG-CG1 3.97Å; K392-I664 HydrophobicContact CG-CG2 3.81Å; L396-I664 HydrophobicContact CB-CG2 4.48Å; L396-I664 HydrophobicContact CD1-CG2 4.42Å; T397-I664 HydrophobicContact CG2-CD1 3.63Å; T397-I664 HydrophobicContact CG2-CG1 4.01Å; T397-I664 HydrophobicContact CG2-CG2 4.21Å; D630-I664 HydrophobicContact CB-CD1 3.91Å; L632-I664 HydrophobicContact CD2-CD1 4.37Å; L632-I664 HydrophobicContact CD2-CG2 4.16Å; M652-I664 HydrophobicContact CE-CB 4.45Å; M652-I664 HydrophobicContact CE-CG2 3.88Å; M652-I664 HydrophobicContact SD-CG2 4.43Å; T660-I664 PolarHBondContact O-N 3.4Å; A661-I664 PolarHBondContact O-N 3.01Å; I664-K666 PolarHBondContact O-N 2.97Å; I664-S667 WeakPolarHBondContact CA-OG 3.46Å; I664-S667 PolarHBondContact O-N 2.95Å; I664-S667 PolarHBondContact O-OG 3.05Å; I664-S668 WeakPolarHBondContact O-CB 3.33Å; I664-S668 PolarHBondContact O-N 2.93Å; I664-S668 PolarHBondContact O-OG 3.32Å
665	A	90.9	Very high	84.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-35.2	175.3	0	0	0	0	0	111.9	M652 A661 F662 C663 S668 L670 I671 V733	M652-A665 HydrophobicContact CE-CB 4.11Å; A661-A665 WeakPolarHBondContact O-CB 3.5Å; A661-A665 PolarHBondContact O-N 3.3Å; F662-A665 PolarHBondContact O-N 3.46Å; C663-A665 PolarHBondContact O-N 3.41Å; A665-S668 PolarHBondContact O-OG 3.01Å; A665-L670 HydrophobicContact CB-CB 4.37Å; A665-L670 HydrophobicContact CB-CD2 4.36Å; A665-L670 WeakPolarHBondContact O-CB 3.4Å; A665-L670 PolarHBondContact O-N 3.38Å; A665-L670 VanDerWaalsContact O-N 3.09Å; A665-I671 WeakPolarHBondContact O-CG2 3.25Å; A665-I671 PolarHBondContact O-N 3.48Å; A665-V733 HydrophobicContact CB-CG2 4.02Å
666	K	87.8	Confident	84.5	Confident	60 Å²	60	46.3 Å²	46.3	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-69.7	-54.6	171.8	-77.6	177.2	169.4	176.1	0	113.1	A569 F662 C663 I664 S668 G669 I671	A569-K666 WeakPolarHBondContact O-CD 3.46Å; A569-K666 PolarHBondContact O-NZ 2.78Å; F662-K666 HydrophobicContact CD1-CD 4.47Å; F662-K666 HydrophobicContact CE1-CD 4.05Å; F662-K666 HydrophobicContact CZ-CD 4.38Å; F662-K666 PolarHBondContact O-N 3.01Å; F662-K666 VanDerWaalsContact O-N 3.09Å; C663-K666 WeakPolarHBondContact O-CB 3.38Å; C663-K666 PolarHBondContact O-N 3.07Å; I664-K666 PolarHBondContact O-N 2.97Å; K666-S668 VanDerWaalsContact C-N 3.3Å; K666-S668 PolarHBondContact O-N 3.43Å; K666-G669 PolarHBondContact O-N 3.34Å; K666-G669 VanDerWaalsContact O-N 3.16Å; K666-I671 VanDerWaalsContact CA-CG2 3.5Å; K666-I671 HydrophobicContact CB-CG2 4.15Å; K666-I671 HydrophobicContact CG-CG2 3.66Å
667	S	87.9	Confident	84.9	Confident	35 Å²	35	47.8 Å²	47.8	25%	0.245	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-36.8	-175.9	61.9	0	0	0	0	112	L632 C663 I664 G669	L632-S667 WeakPolarHBondContact CD1-O 3.47Å; C663-S667 PolarHBondContact O-N 3.16Å; C663-S667 PolarHBondContact O-OG 3.24Å; I664-S667 WeakPolarHBondContact CA-OG 3.46Å; I664-S667 PolarHBondContact O-N 2.95Å; I664-S667 PolarHBondContact O-OG 3.05Å; S667-G669 PolarHBondContact O-N 3.3Å
668	S	90.5	Very high	85.7	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.2	178.5	63.3	0	0	0	0	114.5	G637 L640 I664 A665 K666 L670	G637-S668 WeakPolarHBondContact CA-O 3.48Å; L640-S668 WeakPolarHBondContact CD1-O 3Å; I664-S668 WeakPolarHBondContact O-CB 3.33Å; I664-S668 PolarHBondContact O-N 2.93Å; I664-S668 PolarHBondContact O-OG 3.32Å; A665-S668 PolarHBondContact O-OG 3.01Å; K666-S668 VanDerWaalsContact C-N 3.3Å; K666-S668 PolarHBondContact O-N 3.43Å; S668-L670 PolarHBondContact O-N 2.65Å
669	G	87.1	Confident	86	Confident	39 Å²	39	52.2 Å²	52.2	40%	0.402	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	12	-176.3	0	0	0	0	0	114.4	K666 S667 I671	K666-G669 PolarHBondContact O-N 3.34Å; K666-G669 VanDerWaalsContact O-N 3.16Å; S667-G669 PolarHBondContact O-N 3.3Å; G669-I671 PolarHBondContact O-N 2.9Å
670	L	88.8	Confident	86.5	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-61.3	-29.2	174	-154.8	111.7	0	0	0	111.6	L640 A650 M652 A665 S668 L703 S731 V733	L640-L670 HydrophobicContact CD1-CD1 4.07Å; L640-L670 HydrophobicContact CD2-CD1 4.42Å; A650-L670 HydrophobicContact CB-CD1 3.95Å; M652-L670 HydrophobicContact CB-CD2 4.48Å; M652-L670 HydrophobicContact CE-CD1 4.4Å; M652-L670 HydrophobicContact CE-CD2 4.45Å; A665-L670 HydrophobicContact CB-CB 4.37Å; A665-L670 HydrophobicContact CB-CD2 4.36Å; A665-L670 WeakPolarHBondContact O-CB 3.4Å; A665-L670 PolarHBondContact O-N 3.38Å; A665-L670 VanDerWaalsContact O-N 3.09Å; S668-L670 PolarHBondContact O-N 2.65Å; L670-L703 HydrophobicContact CD2-CD1 3.99Å; L670-S731 PolarHBondContact O-OG 3.43Å; L670-V733 HydrophobicContact CD2-CG2 3.85Å
671	I	86.1	Confident	86.9	Confident	21 Å²	21	50.2 Å²	50.2	11%	0.108	27%	0.273	C	S	.	.	S	Bend	trans	-104.8	129.5	167.1	-170.5	173.9	0	0	0	110.3	A665 K666 G669 Q675 V677 L703	A665-I671 WeakPolarHBondContact O-CG2 3.25Å; A665-I671 PolarHBondContact O-N 3.48Å; K666-I671 VanDerWaalsContact CA-CG2 3.5Å; K666-I671 HydrophobicContact CB-CG2 4.15Å; K666-I671 HydrophobicContact CG-CG2 3.66Å; G669-I671 PolarHBondContact O-N 2.9Å; I671-Q675 HydrophobicContact CG1-CB 3.87Å; I671-Q675 HydrophobicContact CG1-CG 4.43Å; I671-V677 HydrophobicContact CD1-CG2 3.37Å; I671-L703 HydrophobicContact CB-CD2 4.27Å; I671-L703 HydrophobicContact CD1-CB 4.42Å; I671-L703 HydrophobicContact CD1-CD2 4Å; I671-L703 HydrophobicContact CG1-CD2 4.45Å
672	S	81.7	Confident	86.9	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	29%	0.294	S	S	.	.			trans	-77.6	150.1	173.1	-64.8	0	0	0	0	110.9	K644 G674 Q675	K644-S672 PolarHBondContact NZ-OG 2.88Å; S672-G674 PolarHBondContact O-N 3.32Å; S672-Q675 WeakPolarHBondContact O-CB 3.48Å; S672-Q675 PolarHBondContact O-N 3.33Å
673	R	77.3	Confident	86.9	Confident	259 Å²	259	52.6 Å²	52.6	98%	0.977	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	125.3	177.7	-67.3	-176.7	179.1	-177.7	-0.3	110.2	Q675	R673-Q675 VanDerWaalsContact C-N 3.33Å
674	G	79.6	Confident	87.1	Confident	81 Å²	81	58.6 Å²	58.6	84%	0.835	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	3.3	-178.7	0	0	0	0	0	115.7	S672	S672-G674 PolarHBondContact O-N 3.32Å
675	Q	84.6	Confident	87.2	Confident	32 Å²	32	61.8 Å²	61.8	15%	0.15	34%	0.335	C	S	.	.			trans	-71.1	136.1	176.9	-173.3	178.8	1.4	0	0	111.3	I671 S672 R673 S701 T730	I671-Q675 HydrophobicContact CG1-CB 3.87Å; I671-Q675 HydrophobicContact CG1-CG 4.43Å; S672-Q675 WeakPolarHBondContact O-CB 3.48Å; S672-Q675 PolarHBondContact O-N 3.33Å; R673-Q675 VanDerWaalsContact C-N 3.33Å; Q675-S701 PolarHBondContact NE2-O 3.24Å; Q675-T730 VanDerWaalsContact NE2-CB 3.27Å; Q675-T730 PolarHBondContact NE2-OG1 3.45Å
676	N	87.5	Confident	87.1	Confident	121 Å²	121	65 Å²	65	65%	0.647	36%	0.356	S	S	*	.			trans	-65.5	140.8	177.4	-73.6	-23.2	0	0	0	111.7	S702 L703	N676-S702 VanDerWaalsContact O-CA 3.27Å; N676-S702 WeakPolarHBondContact O-CA 3.41Å; N676-S702 VanDerWaalsContact O-CB 3.25Å; N676-S702 WeakPolarHBondContact O-CB 3.46Å; N676-L703 PolarHBondContact O-N 3.44Å
677	V	89	Confident	87.2	Confident	50 Å²	50	71.4 Å²	71.4	30%	0.303	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120	177.9	-176.9	0	0	0	0	108.6	F662 I671 R679 L703 V705	F662-V677 HydrophobicContact CE2-CB 4.42Å; F662-V677 HydrophobicContact CE2-CG1 3.84Å; F662-V677 HydrophobicContact CE2-CG2 3.78Å; F662-V677 HydrophobicContact CZ-CG2 4.11Å; I671-V677 HydrophobicContact CD1-CG2 3.37Å; V677-R679 HydrophobicContact CG1-CG 4.14Å; V677-L703 HydrophobicContact CG1-CD2 4.38Å; V677-L703 HydrophobicContact CG2-CD2 4.44Å; V677-V705 HydrophobicContact CG1-CG2 3.9Å
678	F	91.2	Very high	87.4	Confident	28 Å²	28	73 Å²	73	12%	0.123	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.9	171.2	-172.5	-88.9	0	0	0	109	C680 K695 L696 L703 L704 V705	F678-C680 HydrophobicContact CE1-CB 4.3Å; F678-K695 HydrophobicContact CE2-CB 3.96Å; F678-K695 HydrophobicContact CZ-CB 4.19Å; F678-L696 HydrophobicContact CB-CD1 3.98Å; F678-L696 HydrophobicContact CD1-CB 4.45Å; F678-L696 HydrophobicContact CD1-CD1 3.61Å; F678-L696 HydrophobicContact CD2-CD1 4.49Å; F678-L696 HydrophobicContact CE1-CB 4.19Å; F678-L696 HydrophobicContact CE1-CD1 4.18Å; F678-L696 HydrophobicContact CG-CD1 3.77Å; F678-L696 HydrophobicContact CZ-CB 4.36Å; F678-L703 PolarHBondContact N-O 3.41Å; F678-L704 HydrophobicContact CD1-CD1 3.79Å; F678-L704 HydrophobicContact CE1-CD1 4.45Å; F678-V705 PolarHBondContact O-N 3.1Å
679	R	90	Very high	87.4	Confident	157 Å²	157	73 Å²	73	59%	0.592	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.7	173	-67.1	-177	178.9	131.4	-2.6	108.5	V677 P681 V705	V677-R679 HydrophobicContact CG1-CG 4.14Å; R679-P681 WeakPolarHBondContact O-CD 3.44Å; R679-V705 HydrophobicContact CG-CB 4.34Å
680	C	89.2	Confident	87.6	Confident	17 Å²	17	74.8 Å²	74.8	12%	0.115	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-71.7	122.6	179.2	-174.8	0	0	0	0	109.5	F678 L704 V705 I706	F678-C680 HydrophobicContact CE1-CB 4.3Å; C680-L704 HydrophobicContact CB-CD1 4.09Å; C680-V705 PolarHBondContact N-O 3.15Å; C680-I706 HydrophobicContact CB-CB 4.3Å; C680-I706 HydrophobicContact CB-CG1 4.16Å
681	P	87.5	Confident	87.7	Confident	53 Å²	53	79.3 Å²	79.3	34%	0.344	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-68	167.4	176.1	28.4	-32.6	0	0	0	111.3	R679 V683 E692 S710	R679-P681 WeakPolarHBondContact O-CD 3.44Å; P681-V683 PolarHBondContact O-N 3.48Å; P681-E692 HydrophobicContact CG-CG 3.79Å; P681-S710 PolarHBondContact O-OG 2.84Å
682	T	86.4	Confident	88	Confident	73 Å²	73	79.5 Å²	79.5	45%	0.448	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70.1	123.5	171.2	-50.2	0	0	0	0	108.9	A709 S710	T682-A709 HydrophobicContact CG2-CB 4.43Å; T682-S710 WeakPolarHBondContact CA-OG 3.37Å
683	V	87.9	Confident	88.4	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.018	39%	0.388	C	S	.	.			trans	-111.8	137.3	-178.5	-67.6	0	0	0	0	110.4	P681 E688 A689 E692 F713 Y714	P681-V683 PolarHBondContact O-N 3.48Å; V683-E688 HydrophobicContact CG1-CG 4.2Å; V683-A689 HydrophobicContact CB-CB 4.22Å; V683-A689 HydrophobicContact CG1-CB 4.46Å; V683-A689 HydrophobicContact CG2-CB 4.16Å; V683-E692 HydrophobicContact CG1-CG 4.33Å; V683-F713 HydrophobicContact CG2-CB 4.3Å; V683-F713 HydrophobicContact CG2-CD1 3.92Å; V683-F713 HydrophobicContact CG2-CG 4.26Å; V683-Y714 HydrophobicContact CG2-CD2 4.4Å; V683-Y714 HydrophobicContact CG2-CE2 3.8Å
684	H	88.4	Confident	89	Confident	141 Å²	141	71.2 Å²	71.2	65%	0.653	37%	0.37	S	S	*	.			trans	-118	-20.3	179.7	-62.1	-65.9	0	0	0	113.1	E688 F713	H684-E688 PolarHBondContact N-OE2 3Å; H684-F713 VanDerWaalsContact O-CE2 3.25Å; H684-F713 WeakPolarHBondContact O-CE2 3.25Å
685	T	91.2	Very high	89.5	Confident	69 Å²	69	72.6 Å²	72.6	42%	0.423	35%	0.353	S	S	.	.	S	Bend	trans	-122.4	146.8	-177.7	69	0	0	0	0	111.7	R687 E688 A689 F713	T685-R687 PolarHBondContact O-N 3.43Å; T685-E688 PolarHBondContact O-N 2.85Å; T685-E688 VanDerWaalsContact OG1-CB 3.29Å; T685-E688 WeakPolarHBondContact OG1-CB 3.02Å; T685-E688 PolarHBondContact OG1-N 3.42Å; T685-A689 WeakPolarHBondContact O-CB 3.41Å; T685-A689 PolarHBondContact O-N 3.28Å; T685-F713 VanDerWaalsContact C-CZ 3.48Å
686	P	89.4	Confident	89.7	Confident	67 Å²	67	71.3 Å²	71.3	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-31	-179.1	-24	34.3	0	0	0	113.5	A689 L690 F713	P686-A689 PolarHBondContact O-N 3.01Å; P686-L690 PolarHBondContact O-N 3.16Å; P686-F713 HydrophobicContact CG-CE1 4.48Å; P686-F713 HydrophobicContact CG-CZ 3.92Å
687	R	90.6	Very high	89.7	Confident	196 Å²	196	71.3 Å²	71.3	74%	0.74	34%	0.338	S	S	*	.	H	α-helix	trans	-70.4	-44.3	-179.4	-172.5	175.4	178.3	149.2	-0.1	111.9	T685 A689 L690 Q691	T685-R687 PolarHBondContact O-N 3.43Å; R687-A689 VanDerWaalsContact C-N 3.34Å; R687-L690 PolarHBondContact O-N 3.41Å; R687-Q691 WeakPolarHBondContact O-CG 3.37Å; R687-Q691 PolarHBondContact O-N 3.14Å; R687-Q691 VanDerWaalsContact O-N 3.12Å
688	E	91.4	Very high	89.5	Confident	68 Å²	68	73.4 Å²	73.4	32%	0.318	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-45	173.1	-176.7	-175.9	-157.4	0	0	110.5	V683 H684 T685 L690 Q691 E692	V683-E688 HydrophobicContact CG1-CG 4.2Å; H684-E688 PolarHBondContact N-OE2 3Å; T685-E688 PolarHBondContact O-N 2.85Å; T685-E688 VanDerWaalsContact OG1-CB 3.29Å; T685-E688 WeakPolarHBondContact OG1-CB 3.02Å; T685-E688 PolarHBondContact OG1-N 3.42Å; E688-L690 VanDerWaalsContact C-N 3.32Å; E688-L690 PolarHBondContact O-N 3.12Å; E688-Q691 PolarHBondContact O-N 3.26Å; E688-Q691 VanDerWaalsContact O-N 3.14Å; E688-E692 PolarHBondContact O-N 3.15Å
689	A	90	Very high	89	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-57.1	-42.2	177.1	0	0	0	0	0	112.7	V683 T685 P686 R687 L693 F713 Y714 L718	V683-A689 HydrophobicContact CB-CB 4.22Å; V683-A689 HydrophobicContact CG1-CB 4.46Å; V683-A689 HydrophobicContact CG2-CB 4.16Å; T685-A689 WeakPolarHBondContact O-CB 3.41Å; T685-A689 PolarHBondContact O-N 3.28Å; P686-A689 PolarHBondContact O-N 3.01Å; R687-A689 VanDerWaalsContact C-N 3.34Å; A689-L693 WeakPolarHBondContact O-CG 3.48Å; A689-L693 PolarHBondContact O-N 2.95Å; A689-L693 VanDerWaalsContact O-N 3.08Å; A689-F713 HydrophobicContact CB-CD1 4.08Å; A689-F713 HydrophobicContact CB-CE1 3.77Å; A689-Y714 HydrophobicContact CB-CD1 4.33Å; A689-Y714 HydrophobicContact CB-CE1 3.59Å; A689-Y714 WeakPolarHBondContact O-CE1 3.43Å; A689-Y714 PolarHBondContact O-OH 2.91Å; A689-Y714 VanDerWaalsContact O-OH 3.04Å; A689-L718 HydrophobicContact CB-CD1 3.81Å
690	L	91.7	Very high	88.1	Confident	76 Å²	76	70.5 Å²	70.5	40%	0.398	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.9	-85.4	163.5	0	0	0	113	P686 R687 E688 E692 L693 E694 L718 E721	P686-L690 PolarHBondContact O-N 3.16Å; R687-L690 PolarHBondContact O-N 3.41Å; E688-L690 VanDerWaalsContact C-N 3.32Å; E688-L690 PolarHBondContact O-N 3.12Å; L690-E692 VanDerWaalsContact C-N 3.32Å; L690-E692 PolarHBondContact O-N 3.43Å; L690-L693 WeakPolarHBondContact O-CB 3.46Å; L690-L693 PolarHBondContact O-N 3.34Å; L690-E694 PolarHBondContact O-N 2.97Å; L690-L718 HydrophobicContact CD1-CD2 4.47Å; L690-L718 HydrophobicContact CD2-CD2 4.39Å; L690-L718 HydrophobicContact CG-CD1 3.94Å; L690-L718 HydrophobicContact CG-CD2 4.31Å; L690-E721 HydrophobicContact CD2-CG 4.49Å
691	Q	91.5	Very high	87.7	Confident	102 Å²	102	73.5 Å²	73.5	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.3	-75.6	179.3	-22	0	0	111.6	R687 E688 L693 E694 K695	R687-Q691 WeakPolarHBondContact O-CG 3.37Å; R687-Q691 PolarHBondContact O-N 3.14Å; R687-Q691 VanDerWaalsContact O-N 3.12Å; E688-Q691 PolarHBondContact O-N 3.26Å; E688-Q691 VanDerWaalsContact O-N 3.14Å; Q691-L693 VanDerWaalsContact C-N 3.34Å; Q691-E694 PolarHBondContact O-N 3.04Å; Q691-K695 WeakPolarHBondContact O-CG 3.36Å; Q691-K695 PolarHBondContact O-N 3.39Å; Q691-K695 VanDerWaalsContact O-N 3.13Å
692	E	91.2	Very high	87.8	Confident	25 Å²	25	71 Å²	71	12%	0.117	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-34.4	175.4	-67.5	-55.3	133.9	0	0	112.5	P681 V683 E688 L690 K695 L696	P681-E692 HydrophobicContact CG-CG 3.79Å; V683-E692 HydrophobicContact CG1-CG 4.33Å; E688-E692 PolarHBondContact O-N 3.15Å; L690-E692 VanDerWaalsContact C-N 3.32Å; L690-E692 PolarHBondContact O-N 3.43Å; E692-K695 PolarHBondContact O-N 3.14Å; E692-K695 IonicContact OE1-NZ 3.63Å; E692-K695 PolarHBondContact OE1-NZ 3Å; E692-K695 IonicContact OE2-NZ 3.17Å; E692-L696 PolarHBondContact O-N 3.08Å
693	L	90.5	Very high	88	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-36.4	173.3	-74.4	173.4	0	0	0	112.8	A689 L690 Q691 L696 R697 Y714 E721 F722 A725	A689-L693 WeakPolarHBondContact O-CG 3.48Å; A689-L693 PolarHBondContact O-N 2.95Å; A689-L693 VanDerWaalsContact O-N 3.08Å; L690-L693 WeakPolarHBondContact O-CB 3.46Å; L690-L693 PolarHBondContact O-N 3.34Å; Q691-L693 VanDerWaalsContact C-N 3.34Å; L693-L696 HydrophobicContact CD2-CD2 4.38Å; L693-L696 PolarHBondContact O-N 3.48Å; L693-R697 WeakPolarHBondContact O-CG 3.47Å; L693-R697 PolarHBondContact O-N 3.42Å; L693-Y714 HydrophobicContact CD1-CD1 3.95Å; L693-Y714 HydrophobicContact CD1-CE1 3.57Å; L693-Y714 HydrophobicContact CD2-CD1 4.48Å; L693-Y714 HydrophobicContact CD2-CE1 3.99Å; L693-Y714 HydrophobicContact CG-CD1 4.33Å; L693-Y714 HydrophobicContact CG-CE1 3.58Å; L693-E721 HydrophobicContact CD1-CB 3.94Å; L693-F722 HydrophobicContact CD2-CB 4.48Å; L693-F722 HydrophobicContact CD2-CD2 4.09Å; L693-A725 HydrophobicContact CD2-CB 3.8Å
694	E	89.8	Confident	88.3	Confident	132 Å²	132	67.5 Å²	67.5	62%	0.617	35%	0.346	S	S	*	.	H	α-helix	trans	-64.3	-41.2	173.2	-83	-179.6	164.2	0	0	111.8	L690 Q691 L696 R697 S698	L690-E694 PolarHBondContact O-N 2.97Å; Q691-E694 PolarHBondContact O-N 3.04Å; E694-L696 VanDerWaalsContact C-N 3.33Å; E694-L696 PolarHBondContact O-N 3.11Å; E694-R697 PolarHBondContact O-N 3.04Å; E694-S698 PolarHBondContact O-N 2.88Å
695	K	89.8	Confident	88.5	Confident	109 Å²	109	61.1 Å²	61.1	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-41.6	172	-66.1	174.1	-172.2	171.3	0	111.6	F678 Q691 E692 R697 S698 C699	F678-K695 HydrophobicContact CE2-CB 3.96Å; F678-K695 HydrophobicContact CZ-CB 4.19Å; Q691-K695 WeakPolarHBondContact O-CG 3.36Å; Q691-K695 PolarHBondContact O-N 3.39Å; Q691-K695 VanDerWaalsContact O-N 3.13Å; E692-K695 PolarHBondContact O-N 3.14Å; E692-K695 IonicContact OE1-NZ 3.63Å; E692-K695 PolarHBondContact OE1-NZ 3Å; E692-K695 IonicContact OE2-NZ 3.17Å; K695-R697 VanDerWaalsContact C-N 3.32Å; K695-R697 PolarHBondContact O-N 3.49Å; K695-S698 PolarHBondContact O-N 2.71Å; K695-S698 PolarHBondContact O-OG 3.46Å; K695-C699 PolarHBondContact O-N 3.42Å
696	L	88.8	Confident	88.6	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-39	176.8	-178.1	64.1	0	0	0	112.2	F678 E692 L693 E694 S698 C699 L704 A725	F678-L696 HydrophobicContact CB-CD1 3.98Å; F678-L696 HydrophobicContact CD1-CB 4.45Å; F678-L696 HydrophobicContact CD1-CD1 3.61Å; F678-L696 HydrophobicContact CD2-CD1 4.49Å; F678-L696 HydrophobicContact CE1-CB 4.19Å; F678-L696 HydrophobicContact CE1-CD1 4.18Å; F678-L696 HydrophobicContact CG-CD1 3.77Å; F678-L696 HydrophobicContact CZ-CB 4.36Å; E692-L696 PolarHBondContact O-N 3.08Å; L693-L696 HydrophobicContact CD2-CD2 4.38Å; L693-L696 PolarHBondContact O-N 3.48Å; E694-L696 VanDerWaalsContact C-N 3.33Å; E694-L696 PolarHBondContact O-N 3.11Å; L696-S698 VanDerWaalsContact C-N 3.31Å; L696-S698 PolarHBondContact O-N 3.49Å; L696-C699 CarbonylContact O-C 3.48Å; L696-C699 PolarHBondContact O-N 2.91Å; L696-L704 HydrophobicContact CD1-CB 4.43Å; L696-L704 HydrophobicContact CD1-CD1 4.01Å; L696-L704 HydrophobicContact CD2-CD1 4.13Å; L696-L704 HydrophobicContact CD2-CD2 3.94Å; L696-A725 HydrophobicContact CD2-CB 3.96Å
697	R	87.1	Confident	88.6	Confident	120 Å²	120	56.1 Å²	56.1	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-34.4	178.9	-75.3	175.2	-175.8	-179	3.5	112.8	L693 E694 K695 C699 A725	L693-R697 WeakPolarHBondContact O-CG 3.47Å; L693-R697 PolarHBondContact O-N 3.42Å; E694-R697 PolarHBondContact O-N 3.04Å; K695-R697 VanDerWaalsContact C-N 3.32Å; K695-R697 PolarHBondContact O-N 3.49Å; R697-C699 VanDerWaalsContact C-N 3.32Å; R697-A725 HydrophobicContact CG-CB 3.99Å
698	S	84.8	Confident	88.4	Confident	95 Å²	95	48 Å²	48	66%	0.664	26%	0.259	S	S	*	.	H	α-helix	trans	-71.5	-30	176.1	71.7	0	0	0	0	111.9	E694 K695 L696 S700	E694-S698 PolarHBondContact O-N 2.88Å; K695-S698 PolarHBondContact O-N 2.71Å; K695-S698 PolarHBondContact O-OG 3.46Å; L696-S698 VanDerWaalsContact C-N 3.31Å; L696-S698 PolarHBondContact O-N 3.49Å; S698-S700 PolarHBondContact O-N 3.31Å; S698-S700 VanDerWaalsContact O-N 3.11Å
699	C	81.9	Confident	88.2	Confident	48 Å²	48	47.5 Å²	47.5	32%	0.324	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	43.3	172.9	-62.6	0	0	0	0	113.3	K695 L696 R697 S701 S702	K695-C699 PolarHBondContact O-N 3.42Å; L696-C699 CarbonylContact O-C 3.48Å; L696-C699 PolarHBondContact O-N 2.91Å; R697-C699 VanDerWaalsContact C-N 3.32Å; C699-S701 PolarHBondContact O-N 2.62Å; C699-S702 VanDerWaalsContact O-CB 3.31Å; C699-S702 WeakPolarHBondContact O-CB 3.06Å; C699-S702 PolarHBondContact O-N 3.11Å; C699-S702 PolarHBondContact O-OG 3.09Å
700	S	71.7	Confident	88.2	Confident	76 Å²	76	47.5 Å²	47.5	53%	0.531	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	132.6	174.4	66.8	0	0	0	0	110.1	S698	S698-S700 PolarHBondContact O-N 3.31Å; S698-S700 VanDerWaalsContact O-N 3.11Å
701	S	80.9	Confident	88.2	Confident	79 Å²	79	43.9 Å²	43.9	55%	0.552	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	13	-171	-35.6	0	0	0	0	117.5	Q675 C699 T730	Q675-S701 PolarHBondContact NE2-O 3.24Å; C699-S701 PolarHBondContact O-N 2.62Å; S701-T730 WeakPolarHBondContact CA-OG1 3.46Å; S701-T730 PolarHBondContact O-OG1 2.97Å; S701-T730 VanDerWaalsContact O-OG1 3.1Å
702	S	88.5	Confident	88.1	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.014	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-84.1	163.4	168.8	58	0	0	0	0	113	N676 C699 C729 T730	N676-S702 VanDerWaalsContact O-CA 3.27Å; N676-S702 WeakPolarHBondContact O-CA 3.41Å; N676-S702 VanDerWaalsContact O-CB 3.25Å; N676-S702 WeakPolarHBondContact O-CB 3.46Å; C699-S702 VanDerWaalsContact O-CB 3.31Å; C699-S702 WeakPolarHBondContact O-CB 3.06Å; C699-S702 PolarHBondContact O-N 3.11Å; C699-S702 PolarHBondContact O-OG 3.09Å; S702-C729 WeakPolarHBondContact O-CB 3.23Å; S702-T730 PolarHBondContact O-N 2.86Å
703	L	91	Very high	88.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.9	162.5	179.5	77.1	0	0	0	108.6	F662 L670 I671 N676 V677 F678 V705 V733	F662-L703 HydrophobicContact CD2-CD2 4.43Å; F662-L703 HydrophobicContact CE2-CD2 4.31Å; L670-L703 HydrophobicContact CD2-CD1 3.99Å; I671-L703 HydrophobicContact CB-CD2 4.27Å; I671-L703 HydrophobicContact CD1-CB 4.42Å; I671-L703 HydrophobicContact CD1-CD2 4Å; I671-L703 HydrophobicContact CG1-CD2 4.45Å; N676-L703 PolarHBondContact O-N 3.44Å; V677-L703 HydrophobicContact CG1-CD2 4.38Å; V677-L703 HydrophobicContact CG2-CD2 4.44Å; F678-L703 PolarHBondContact N-O 3.41Å; L703-V705 HydrophobicContact CD2-CG2 4.01Å; L703-V705 HydrophobicContact CG-CG2 4.34Å; L703-V733 HydrophobicContact CD1-CG2 3.89Å; L703-V733 HydrophobicContact CD2-CG2 4.36Å; L703-V733 HydrophobicContact CG-CG2 4.42Å
704	L	93.9	Very high	88.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127	171.3	172.7	62.5	0	0	0	109.9	F678 C680 L696 F722 S731 V732 V733	F678-L704 HydrophobicContact CD1-CD1 3.79Å; F678-L704 HydrophobicContact CE1-CD1 4.45Å; C680-L704 HydrophobicContact CB-CD1 4.09Å; L696-L704 HydrophobicContact CD1-CB 4.43Å; L696-L704 HydrophobicContact CD1-CD1 4.01Å; L696-L704 HydrophobicContact CD2-CD1 4.13Å; L696-L704 HydrophobicContact CD2-CD2 3.94Å; L704-F722 HydrophobicContact CD2-CE2 4.16Å; L704-F722 HydrophobicContact CD2-CZ 4.43Å; L704-S731 PolarHBondContact N-O 3.41Å; L704-V732 HydrophobicContact CB-CG1 4.27Å; L704-V732 HydrophobicContact CB-CG2 4.19Å; L704-V732 HydrophobicContact CD2-CG1 3.93Å; L704-V732 HydrophobicContact CD2-CG2 4.29Å; L704-V732 HydrophobicContact CG-CG1 4.18Å; L704-V732 CarbonylContact O-C 3.43Å; L704-V732 WeakPolarHBondContact O-CA 3.32Å; L704-V733 PolarHBondContact O-N 3.33Å
705	V	93.3	Very high	88.5	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.7	169	-177.4	0	0	0	0	108.5	V658 F662 V677 F678 R679 C680 L703 V733	V658-V705 HydrophobicContact CG1-CG1 3.76Å; F662-V705 HydrophobicContact CD2-CG2 4.36Å; V677-V705 HydrophobicContact CG1-CG2 3.9Å; F678-V705 PolarHBondContact O-N 3.1Å; R679-V705 HydrophobicContact CG-CB 4.34Å; C680-V705 PolarHBondContact N-O 3.15Å; L703-V705 HydrophobicContact CD2-CG2 4.01Å; L703-V705 HydrophobicContact CG-CG2 4.34Å; V705-V733 WeakPolarHBondContact CA-O 3.42Å; V705-V733 HydrophobicContact CG2-CB 4.41Å
706	I	93.2	Very high	88.6	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.7	-177.1	-169.5	166.9	0	0	0	111.6	C680 L711 Y714 F722 V733 C734 C735	C680-I706 HydrophobicContact CB-CB 4.3Å; C680-I706 HydrophobicContact CB-CG1 4.16Å; I706-L711 HydrophobicContact CD1-CB 4.07Å; I706-L711 HydrophobicContact CD1-CD1 4.2Å; I706-L711 HydrophobicContact CG1-CB 4.22Å; I706-L711 HydrophobicContact CG2-CD1 4.47Å; I706-Y714 HydrophobicContact CD1-CD2 3.78Å; I706-Y714 HydrophobicContact CD1-CE2 4.15Å; I706-F722 HydrophobicContact CD1-CE2 3.65Å; I706-F722 HydrophobicContact CD1-CZ 3.95Å; I706-V733 PolarHBondContact N-O 2.91Å; I706-C734 HydrophobicContact CG2-CB 3.96Å; I706-C734 WeakPolarHBondContact CG2-SG 3.18Å; I706-C734 WeakPolarHBondContact O-CA 3.41Å; I706-C735 PolarHBondContact O-N 2.96Å
707	S	88.8	Confident	88.7	Confident	31 Å²	31	43.6 Å²	43.6	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	156.5	174.6	80.2	0	0	0	0	111.6	A709 S710 L711	S707-A709 VanDerWaalsContact C-N 3.33Å; S707-A709 PolarHBondContact O-N 2.92Å; S707-S710 PolarHBondContact O-N 3.06Å; S707-S710 PolarHBondContact OG-OG 2.88Å; S707-L711 VanDerWaalsContact O-CB 3.3Å; S707-L711 WeakPolarHBondContact O-CB 3.42Å; S707-L711 PolarHBondContact O-N 2.93Å
708	S	86.5	Confident	89	Confident	26 Å²	26	38.8 Å²	38.8	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-52.7	-43.7	176.5	175.3	0	0	0	0	114.1	L711 E712 C735 R736 Q741	S708-L711 PolarHBondContact O-N 3.25Å; S708-E712 WeakPolarHBondContact O-CB 3.21Å; S708-E712 PolarHBondContact O-N 3.49Å; S708-C735 PolarHBondContact N-O 2.91Å; S708-C735 VanDerWaalsContact N-O 3.07Å; S708-R736 WeakPolarHBondContact CB-O 3.18Å; S708-R736 PolarHBondContact OG-O 3.42Å; S708-Q741 VanDerWaalsContact OG-CD 3.26Å; S708-Q741 PolarHBondContact OG-NE2 3.34Å; S708-Q741 PolarHBondContact OG-OE1 3.47Å
709	A	86.8	Confident	89.4	Confident	57 Å²	57	35.4 Å²	35.4	47%	0.471	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-46.5	-178.7	0	0	0	0	0	112.3	T682 S707 L711 F713	T682-A709 HydrophobicContact CG2-CB 4.43Å; S707-A709 VanDerWaalsContact C-N 3.33Å; S707-A709 PolarHBondContact O-N 2.92Å; A709-L711 VanDerWaalsContact C-N 3.33Å; A709-F713 PolarHBondContact O-N 3.43Å
710	S	90.7	Very high	90	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-41.8	174.6	-50.8	0	0	0	0	111.1	P681 T682 S707 E712 F713 Y714	P681-S710 PolarHBondContact O-OG 2.84Å; T682-S710 WeakPolarHBondContact CA-OG 3.37Å; S707-S710 PolarHBondContact O-N 3.06Å; S707-S710 PolarHBondContact OG-OG 2.88Å; S710-E712 PolarHBondContact O-N 2.93Å; S710-F713 WeakPolarHBondContact O-CB 3.33Å; S710-F713 PolarHBondContact O-N 3.16Å; S710-Y714 WeakPolarHBondContact O-CD2 3.07Å; S710-Y714 PolarHBondContact O-N 2.88Å
711	L	91.9	Very high	91	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-46.4	-177.6	-179.7	65.7	0	0	0	111.5	I706 S707 S708 A709 F713 Y714 L715 F722 C734 V745	I706-L711 HydrophobicContact CD1-CB 4.07Å; I706-L711 HydrophobicContact CD1-CD1 4.2Å; I706-L711 HydrophobicContact CG1-CB 4.22Å; I706-L711 HydrophobicContact CG2-CD1 4.47Å; S707-L711 VanDerWaalsContact O-CB 3.3Å; S707-L711 WeakPolarHBondContact O-CB 3.42Å; S707-L711 PolarHBondContact O-N 2.93Å; S708-L711 PolarHBondContact O-N 3.25Å; A709-L711 VanDerWaalsContact C-N 3.33Å; L711-F713 VanDerWaalsContact C-N 3.28Å; L711-F713 PolarHBondContact O-N 3.38Å; L711-Y714 PolarHBondContact O-N 3.36Å; L711-L715 HydrophobicContact CD1-CD1 4.04Å; L711-L715 HydrophobicContact CD1-CG 4.12Å; L711-L715 HydrophobicContact CD2-CD1 4.45Å; L711-L715 HydrophobicContact CG-CD1 3.82Å; L711-L715 HydrophobicContact CG-CG 4.3Å; L711-L715 WeakPolarHBondContact O-CB 3.44Å; L711-L715 VanDerWaalsContact O-CG 3.25Å; L711-L715 WeakPolarHBondContact O-CG 3.34Å; L711-L715 PolarHBondContact O-N 2.9Å; L711-F722 HydrophobicContact CD1-CE1 3.86Å; L711-F722 HydrophobicContact CD1-CZ 3.82Å; L711-C734 HydrophobicContact CD2-CB 4.15Å; L711-V745 HydrophobicContact CD1-CG2 4.05Å; L711-V745 HydrophobicContact CD2-CG2 3.8Å; L711-V745 HydrophobicContact CG-CG2 4.31Å
712	E	90.1	Very high	91.6	Very high	114 Å²	114	33.6 Å²	33.6	53%	0.533	18%	0.182	S	C	.	.	H	α-helix	trans	-57.8	-43.7	176.7	-173.9	171.6	-179.4	0	0	111.3	S708 S710 L715 A716	S708-E712 WeakPolarHBondContact O-CB 3.21Å; S708-E712 PolarHBondContact O-N 3.49Å; S710-E712 PolarHBondContact O-N 2.93Å; E712-L715 PolarHBondContact O-N 3.16Å; E712-A716 VanDerWaalsContact O-CB 3.31Å; E712-A716 WeakPolarHBondContact O-CB 3.42Å; E712-A716 PolarHBondContact O-N 3.14Å
713	F	92.2	Very high	91.9	Very high	28 Å²	28	33.5 Å²	33.5	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-47.9	176.3	-169.2	-86.7	0	0	0	112.3	V683 H684 T685 P686 A689 A709 S710 L711 A716 Y717	V683-F713 HydrophobicContact CG2-CB 4.3Å; V683-F713 HydrophobicContact CG2-CD1 3.92Å; V683-F713 HydrophobicContact CG2-CG 4.26Å; H684-F713 VanDerWaalsContact O-CE2 3.25Å; H684-F713 WeakPolarHBondContact O-CE2 3.25Å; T685-F713 VanDerWaalsContact C-CZ 3.48Å; P686-F713 HydrophobicContact CG-CE1 4.48Å; P686-F713 HydrophobicContact CG-CZ 3.92Å; A689-F713 HydrophobicContact CB-CD1 4.08Å; A689-F713 HydrophobicContact CB-CE1 3.77Å; A709-F713 PolarHBondContact O-N 3.43Å; S710-F713 WeakPolarHBondContact O-CB 3.33Å; S710-F713 PolarHBondContact O-N 3.16Å; L711-F713 VanDerWaalsContact C-N 3.28Å; L711-F713 PolarHBondContact O-N 3.38Å; F713-A716 PolarHBondContact O-N 2.89Å; F713-Y717 HydrophobicContact CD1-CD2 4.16Å; F713-Y717 AromaticContact CD2-CD2 3.66Å; F713-Y717 HydrophobicContact CD2-CD2 3.66Å; F713-Y717 AromaticContact CD2-CE2 3.71Å; F713-Y717 HydrophobicContact CD2-CE2 3.71Å; F713-Y717 HydrophobicContact CE1-CD2 4.04Å; F713-Y717 AromaticContact CE2-CD2 3.53Å; F713-Y717 HydrophobicContact CE2-CD2 3.53Å; F713-Y717 AromaticContact CE2-CE2 3.57Å; F713-Y717 HydrophobicContact CE2-CE2 3.57Å; F713-Y717 HydrophobicContact CE2-CG 4.47Å; F713-Y717 AromaticContact CG-CD2 3.97Å; F713-Y717 HydrophobicContact CG-CD2 3.97Å; F713-Y717 HydrophobicContact CG-CE2 4.42Å; F713-Y717 AromaticContact CZ-CD2 3.71Å; F713-Y717 HydrophobicContact CZ-CD2 3.71Å; F713-Y717 HydrophobicContact CZ-CE2 4.18Å; F713-Y717 HydrophobicContact CZ-CG 4.29Å; F713-Y717 WeakPolarHBondContact O-CD2 3.42Å; F713-Y717 PolarHBondContact O-N 3.32Å
714	Y	94	Very high	91.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-42.2	178.4	-77.8	-65.5	0	0	0	112.7	V683 A689 L693 I706 S710 L711 A716 L718 P719 F722	V683-Y714 HydrophobicContact CG2-CD2 4.4Å; V683-Y714 HydrophobicContact CG2-CE2 3.8Å; A689-Y714 HydrophobicContact CB-CD1 4.33Å; A689-Y714 HydrophobicContact CB-CE1 3.59Å; A689-Y714 WeakPolarHBondContact O-CE1 3.43Å; A689-Y714 PolarHBondContact O-OH 2.91Å; A689-Y714 VanDerWaalsContact O-OH 3.04Å; L693-Y714 HydrophobicContact CD1-CD1 3.95Å; L693-Y714 HydrophobicContact CD1-CE1 3.57Å; L693-Y714 HydrophobicContact CD2-CD1 4.48Å; L693-Y714 HydrophobicContact CD2-CE1 3.99Å; L693-Y714 HydrophobicContact CG-CD1 4.33Å; L693-Y714 HydrophobicContact CG-CE1 3.58Å; I706-Y714 HydrophobicContact CD1-CD2 3.78Å; I706-Y714 HydrophobicContact CD1-CE2 4.15Å; S710-Y714 WeakPolarHBondContact O-CD2 3.07Å; S710-Y714 PolarHBondContact O-N 2.88Å; L711-Y714 PolarHBondContact O-N 3.36Å; Y714-A716 VanDerWaalsContact C-N 3.33Å; Y714-A716 PolarHBondContact O-N 2.87Å; Y714-L718 HydrophobicContact CD1-CB 4.42Å; Y714-L718 CarbonylContact O-C 3.6Å; Y714-L718 WeakPolarHBondContact O-CA 3.47Å; Y714-L718 PolarHBondContact O-N 3.26Å; Y714-P719 WeakPolarHBondContact O-CA 3.25Å; Y714-P719 VanDerWaalsContact O-N 3.1Å; Y714-F722 HydrophobicContact CD1-CB 4.18Å; Y714-F722 HydrophobicContact CD1-CD2 4.11Å; Y714-F722 HydrophobicContact CD1-CG 4.45Å; Y714-F722 HydrophobicContact CD2-CD2 4.04Å; Y714-F722 HydrophobicContact CD2-CE2 4.29Å; Y714-F722 HydrophobicContact CG-CB 4.29Å; Y714-F722 AromaticContact CG-CD2 3.74Å; Y714-F722 HydrophobicContact CG-CD2 3.74Å; Y714-F722 HydrophobicContact CG-CE2 4.4Å; Y714-F722 HydrophobicContact CG-CG 4.14Å
715	L	92.2	Very high	91.8	Very high	8 Å²	8	37 Å²	37	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-36.2	179.4	-67.4	173.7	0	0	0	112	L711 E712 E744 V745 T748	L711-L715 HydrophobicContact CD1-CD1 4.04Å; L711-L715 HydrophobicContact CD1-CG 4.12Å; L711-L715 HydrophobicContact CD2-CD1 4.45Å; L711-L715 HydrophobicContact CG-CD1 3.82Å; L711-L715 HydrophobicContact CG-CG 4.3Å; L711-L715 WeakPolarHBondContact O-CB 3.44Å; L711-L715 VanDerWaalsContact O-CG 3.25Å; L711-L715 WeakPolarHBondContact O-CG 3.34Å; L711-L715 PolarHBondContact O-N 2.9Å; E712-L715 PolarHBondContact O-N 3.16Å; L715-E744 HydrophobicContact CD1-CB 4.28Å; L715-E744 HydrophobicContact CD1-CG 4.04Å; L715-V745 HydrophobicContact CD1-CG2 3.97Å; L715-T748 HydrophobicContact CD2-CG2 3.89Å
716	A	91.4	Very high	91.7	Very high	66 Å²	66	36.8 Å²	36.8	55%	0.545	20%	0.199	S	C	.	.	H	α-helix	trans	-75.4	-44.3	-179.9	0	0	0	0	0	113.4	E712 F713 Y714	E712-A716 VanDerWaalsContact O-CB 3.31Å; E712-A716 WeakPolarHBondContact O-CB 3.42Å; E712-A716 PolarHBondContact O-N 3.14Å; F713-A716 PolarHBondContact O-N 2.89Å; Y714-A716 VanDerWaalsContact C-N 3.33Å; Y714-A716 PolarHBondContact O-N 2.87Å
717	Y	92.1	Very high	91.6	Very high	154 Å²	154	37.4 Å²	37.4	60%	0.604	20%	0.203	S	C	*	.	H	α-helix	trans	-107.4	-33.4	-168.6	-62.8	-74.8	0	0	0	114.8	F713 P719	F713-Y717 HydrophobicContact CD1-CD2 4.16Å; F713-Y717 AromaticContact CD2-CD2 3.66Å; F713-Y717 HydrophobicContact CD2-CD2 3.66Å; F713-Y717 AromaticContact CD2-CE2 3.71Å; F713-Y717 HydrophobicContact CD2-CE2 3.71Å; F713-Y717 HydrophobicContact CE1-CD2 4.04Å; F713-Y717 AromaticContact CE2-CD2 3.53Å; F713-Y717 HydrophobicContact CE2-CD2 3.53Å; F713-Y717 AromaticContact CE2-CE2 3.57Å; F713-Y717 HydrophobicContact CE2-CE2 3.57Å; F713-Y717 HydrophobicContact CE2-CG 4.47Å; F713-Y717 AromaticContact CG-CD2 3.97Å; F713-Y717 HydrophobicContact CG-CD2 3.97Å; F713-Y717 HydrophobicContact CG-CE2 4.42Å; F713-Y717 AromaticContact CZ-CD2 3.71Å; F713-Y717 HydrophobicContact CZ-CD2 3.71Å; F713-Y717 HydrophobicContact CZ-CE2 4.18Å; F713-Y717 HydrophobicContact CZ-CG 4.29Å; F713-Y717 WeakPolarHBondContact O-CD2 3.42Å; F713-Y717 PolarHBondContact O-N 3.32Å; Y717-P719 VanDerWaalsContact C-CD 3.47Å
718	L	93.7	Very high	91.6	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.099	21%	0.211	C	C	.	.			trans	-135.8	50.4	-172.6	-66.4	165.8	0	0	0	112.6	A689 L690 Y714 E720 F722	A689-L718 HydrophobicContact CB-CD1 3.81Å; L690-L718 HydrophobicContact CD1-CD2 4.47Å; L690-L718 HydrophobicContact CD2-CD2 4.39Å; L690-L718 HydrophobicContact CG-CD1 3.94Å; L690-L718 HydrophobicContact CG-CD2 4.31Å; Y714-L718 HydrophobicContact CD1-CB 4.42Å; Y714-L718 CarbonylContact O-C 3.6Å; Y714-L718 WeakPolarHBondContact O-CA 3.47Å; Y714-L718 PolarHBondContact O-N 3.26Å; L718-E720 PolarHBondContact O-N 3.45Å; L718-F722 VanDerWaalsContact O-CB 3.25Å; L718-F722 WeakPolarHBondContact O-CB 3.46Å; L718-F722 PolarHBondContact O-N 3.43Å; L718-F722 VanDerWaalsContact O-N 3.1Å
719	P	93.7	Very high	91.7	Very high	24 Å²	24	37 Å²	37	16%	0.156	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-36.5	-170.6	24.4	-34	0	0	0	113.2	Y714 Y717 I723 T748 Y752	Y714-P719 WeakPolarHBondContact O-CA 3.25Å; Y714-P719 VanDerWaalsContact O-N 3.1Å; Y717-P719 VanDerWaalsContact C-CD 3.47Å; P719-I723 WeakPolarHBondContact O-CB 3.42Å; P719-I723 VanDerWaalsContact O-CG1 3.26Å; P719-I723 WeakPolarHBondContact O-CG1 3.42Å; P719-I723 PolarHBondContact O-N 3.34Å; P719-I723 VanDerWaalsContact O-N 3.1Å; P719-T748 HydrophobicContact CB-CG2 3.54Å; P719-Y752 HydrophobicContact CB-CD2 4.32Å; P719-Y752 HydrophobicContact CB-CE2 3.79Å; P719-Y752 HydrophobicContact CG-CE2 4.04Å
720	E	94.3	Very high	91.8	Very high	98 Å²	98	35.8 Å²	35.8	46%	0.458	19%	0.19	S	C	.	.	H	α-helix	trans	-71.7	-48	-176.7	-177.7	170.1	168.9	0	0	111.3	L718 F722 I723 N724 Y752	L718-E720 PolarHBondContact O-N 3.45Å; E720-F722 VanDerWaalsContact C-N 3.31Å; E720-F722 PolarHBondContact O-N 3.04Å; E720-I723 PolarHBondContact O-N 2.92Å; E720-N724 WeakPolarHBondContact O-CB 3.28Å; E720-N724 VanDerWaalsContact O-CG 3.28Å; E720-N724 PolarHBondContact O-N 2.94Å; E720-N724 PolarHBondContact O-ND2 3.25Å; E720-Y752 HydrophobicContact CB-CD1 3.65Å; E720-Y752 HydrophobicContact CB-CE1 3.81Å; E720-Y752 HydrophobicContact CB-CG 4.18Å; E720-Y752 HydrophobicContact CG-CD1 3.73Å; E720-Y752 HydrophobicContact CG-CE1 4.23Å; E720-Y752 HydrophobicContact CG-CG 4.39Å
721	E	92.5	Very high	91.8	Very high	65 Å²	65	36.1 Å²	36.1	30%	0.304	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-40.6	-179.9	-64.7	78.2	-177.2	0	0	111.1	L690 L693 A725	L690-E721 HydrophobicContact CD2-CG 4.49Å; L693-E721 HydrophobicContact CD1-CB 3.94Å; E721-A725 WeakPolarHBondContact O-CB 3.41Å; E721-A725 PolarHBondContact O-N 3.21Å
722	F	94	Very high	91.9	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-49	175.3	175.3	-105.5	0	0	0	111.8	L693 L704 I706 L711 Y714 L718 E720 N724 A725 S726	L693-F722 HydrophobicContact CD2-CB 4.48Å; L693-F722 HydrophobicContact CD2-CD2 4.09Å; L704-F722 HydrophobicContact CD2-CE2 4.16Å; L704-F722 HydrophobicContact CD2-CZ 4.43Å; I706-F722 HydrophobicContact CD1-CE2 3.65Å; I706-F722 HydrophobicContact CD1-CZ 3.95Å; L711-F722 HydrophobicContact CD1-CE1 3.86Å; L711-F722 HydrophobicContact CD1-CZ 3.82Å; Y714-F722 HydrophobicContact CD1-CB 4.18Å; Y714-F722 HydrophobicContact CD1-CD2 4.11Å; Y714-F722 HydrophobicContact CD1-CG 4.45Å; Y714-F722 HydrophobicContact CD2-CD2 4.04Å; Y714-F722 HydrophobicContact CD2-CE2 4.29Å; Y714-F722 HydrophobicContact CG-CB 4.29Å; Y714-F722 AromaticContact CG-CD2 3.74Å; Y714-F722 HydrophobicContact CG-CD2 3.74Å; Y714-F722 HydrophobicContact CG-CE2 4.4Å; Y714-F722 HydrophobicContact CG-CG 4.14Å; L718-F722 VanDerWaalsContact O-CB 3.25Å; L718-F722 WeakPolarHBondContact O-CB 3.46Å; L718-F722 PolarHBondContact O-N 3.43Å; L718-F722 VanDerWaalsContact O-N 3.1Å; E720-F722 VanDerWaalsContact C-N 3.31Å; E720-F722 PolarHBondContact O-N 3.04Å; F722-N724 VanDerWaalsContact C-N 3.32Å; F722-N724 PolarHBondContact O-N 3.47Å; F722-A725 PolarHBondContact O-N 2.86Å; F722-S726 VanDerWaalsContact O-CB 3.32Å; F722-S726 WeakPolarHBondContact O-CB 3.47Å; F722-S726 PolarHBondContact O-N 3.36Å; F722-S726 PolarHBondContact O-OG 2.97Å
723	I	93.7	Very high	92.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-39	179.1	-69.5	-57.5	0	0	0	111.5	W651 P719 E720 S726 S727 T748 L749 N753	W651-I723 HydrophobicContact CH2-CD1 4.25Å; W651-I723 HydrophobicContact CZ3-CD1 4.48Å; P719-I723 WeakPolarHBondContact O-CB 3.42Å; P719-I723 VanDerWaalsContact O-CG1 3.26Å; P719-I723 WeakPolarHBondContact O-CG1 3.42Å; P719-I723 PolarHBondContact O-N 3.34Å; P719-I723 VanDerWaalsContact O-N 3.1Å; E720-I723 PolarHBondContact O-N 2.92Å; I723-S726 WeakPolarHBondContact CA-OG 3.18Å; I723-S726 PolarHBondContact O-OG 3.14Å; I723-S727 WeakPolarHBondContact O-CB 3.22Å; I723-S727 PolarHBondContact O-N 2.9Å; I723-S727 PolarHBondContact O-OG 3.16Å; I723-T748 HydrophobicContact CD1-CG2 4.26Å; I723-T748 HydrophobicContact CG1-CG2 3.77Å; I723-L749 HydrophobicContact CD1-CB 4.11Å; I723-L749 HydrophobicContact CD1-CD1 4.09Å; I723-L749 HydrophobicContact CG2-CD1 3.87Å; I723-N753 HydrophobicContact CG2-CB 4.25Å
724	N	91.5	Very high	92.3	Very high	75 Å²	75	29.4 Å²	29.4	40%	0.401	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-43.1	177.7	-74.5	-26.5	0	0	0	112	E720 F722	E720-N724 WeakPolarHBondContact O-CB 3.28Å; E720-N724 VanDerWaalsContact O-CG 3.28Å; E720-N724 PolarHBondContact O-N 2.94Å; E720-N724 PolarHBondContact O-ND2 3.25Å; F722-N724 VanDerWaalsContact C-N 3.32Å; F722-N724 PolarHBondContact O-N 3.47Å
725	A	91.4	Very high	92.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-50.3	177.7	0	0	0	0	0	112	L693 L696 R697 E721 F722 S727 A728	L693-A725 HydrophobicContact CD2-CB 3.8Å; L696-A725 HydrophobicContact CD2-CB 3.96Å; R697-A725 HydrophobicContact CG-CB 3.99Å; E721-A725 WeakPolarHBondContact O-CB 3.41Å; E721-A725 PolarHBondContact O-N 3.21Å; F722-A725 PolarHBondContact O-N 2.86Å; A725-S727 VanDerWaalsContact C-N 3.27Å; A725-S727 PolarHBondContact O-N 2.97Å; A725-A728 WeakPolarHBondContact O-CB 3.4Å; A725-A728 PolarHBondContact O-N 3.02Å
726	S	92.2	Very high	91.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-29.4	178.9	57.3	0	0	0	0	113	W651 F722 I723 A728 C729	W651-S726 WeakPolarHBondContact CH2-OG 3.31Å; F722-S726 VanDerWaalsContact O-CB 3.32Å; F722-S726 WeakPolarHBondContact O-CB 3.47Å; F722-S726 PolarHBondContact O-N 3.36Å; F722-S726 PolarHBondContact O-OG 2.97Å; I723-S726 WeakPolarHBondContact CA-OG 3.18Å; I723-S726 PolarHBondContact O-OG 3.14Å; S726-A728 PolarHBondContact O-N 3.47Å; S726-C729 VanDerWaalsContact O-CB 3.26Å; S726-C729 WeakPolarHBondContact O-CB 3.31Å; S726-C729 PolarHBondContact O-N 3.1Å; S726-C729 VanDerWaalsContact O-N 3.14Å
727	S	89.6	Confident	91.3	Very high	15 Å²	15	32.2 Å²	32.2	11%	0.105	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.9	173.4	-72.1	0	0	0	0	113.8	Y387 K649 I723 A725	Y387-S727 WeakPolarHBondContact OH-CB 3.25Å; Y387-S727 PolarHBondContact OH-OG 2.63Å; K649-S727 PolarHBondContact NZ-O 3Å; I723-S727 WeakPolarHBondContact O-CB 3.22Å; I723-S727 PolarHBondContact O-N 2.9Å; I723-S727 PolarHBondContact O-OG 3.16Å; A725-S727 VanDerWaalsContact C-N 3.27Å; A725-S727 PolarHBondContact O-N 2.97Å
728	A	88.7	Confident	90.7	Very high	46 Å²	46	27.3 Å²	27.3	38%	0.38	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.4	172.7	0	0	0	0	0	112.3	A725 S726	A725-A728 WeakPolarHBondContact O-CB 3.4Å; A725-A728 PolarHBondContact O-N 3.02Å; S726-A728 PolarHBondContact O-N 3.47Å
729	C	90.1	Very high	90	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.147	C	C	.	.	S	Bend	trans	-63.5	156.9	173.9	-57.1	0	0	0	0	111.3	K649 S702 S726 V732	K649-C729 PolarHBondContact NZ-O 3.1Å; S702-C729 WeakPolarHBondContact O-CB 3.23Å; S726-C729 VanDerWaalsContact O-CB 3.26Å; S726-C729 WeakPolarHBondContact O-CB 3.31Å; S726-C729 PolarHBondContact O-N 3.1Å; S726-C729 VanDerWaalsContact O-N 3.14Å; C729-V732 HydrophobicContact CB-CG2 4.28Å
730	T	87.5	Confident	89.4	Confident	33 Å²	33	28.8 Å²	28.8	20%	0.202	15%	0.152	C	C	.	.	S	Bend	trans	-74.5	-45.5	176.5	-43.4	0	0	0	0	110.2	Q675 S701 S702	Q675-T730 VanDerWaalsContact NE2-CB 3.27Å; Q675-T730 PolarHBondContact NE2-OG1 3.45Å; S701-T730 WeakPolarHBondContact CA-OG1 3.46Å; S701-T730 PolarHBondContact O-OG1 2.97Å; S701-T730 VanDerWaalsContact O-OG1 3.1Å; S702-T730 PolarHBondContact O-N 2.86Å
731	S	91.8	Very high	89	Confident	7 Å²	7	24.8 Å²	24.8	5%	0.049	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.4	-179.1	-50.3	0	0	0	0	108.9	A650 L670 L704	A650-S731 WeakPolarHBondContact O-CA 3.24Å; A650-S731 WeakPolarHBondContact O-CB 3.09Å; L670-S731 PolarHBondContact O-OG 3.43Å; L704-S731 PolarHBondContact N-O 3.41Å
732	V	94.4	Very high	88.9	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138	178.7	179.7	0	0	0	0	108.8	W651 M652 L704 C729	W651-V732 CarbonylContact C-O 3.01Å; W651-V732 VanDerWaalsContact CA-O 3.25Å; W651-V732 WeakPolarHBondContact CA-O 3.25Å; W651-V732 HydrophobicContact CB-CB 4.34Å; W651-V732 HydrophobicContact CD2-CB 3.69Å; W651-V732 HydrophobicContact CD2-CG1 4.37Å; W651-V732 HydrophobicContact CD2-CG2 3.82Å; W651-V732 VanDerWaalsContact CE2-CG2 3.41Å; W651-V732 HydrophobicContact CE3-CB 4.18Å; W651-V732 HydrophobicContact CE3-CG1 4.36Å; W651-V732 HydrophobicContact CE3-CG2 4.42Å; W651-V732 HydrophobicContact CG-CB 3.75Å; W651-V732 HydrophobicContact CG-CG2 4.16Å; W651-V732 HydrophobicContact CH2-CG2 4.34Å; W651-V732 HydrophobicContact CZ2-CB 4.48Å; W651-V732 HydrophobicContact CZ2-CG2 3.71Å; M652-V732 PolarHBondContact N-O 3.49Å; L704-V732 HydrophobicContact CB-CG1 4.27Å; L704-V732 HydrophobicContact CB-CG2 4.19Å; L704-V732 HydrophobicContact CD2-CG1 3.93Å; L704-V732 HydrophobicContact CD2-CG2 4.29Å; L704-V732 HydrophobicContact CG-CG1 4.18Å; L704-V732 CarbonylContact O-C 3.43Å; L704-V732 WeakPolarHBondContact O-CA 3.32Å; C729-V732 HydrophobicContact CB-CG2 4.28Å
733	V	95.1	Very high	88.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	111.9	177	-178.4	0	0	0	0	108.3	M652 A661 A665 L670 L703 L704 V705 I706	M652-V733 HydrophobicContact CB-CG1 4.45Å; M652-V733 HydrophobicContact CB-CG2 4.23Å; M652-V733 CarbonylContact O-C 3.55Å; M652-V733 WeakPolarHBondContact O-CA 3.45Å; M652-V733 HydrophobicContact SD-CG1 4.3Å; A661-V733 HydrophobicContact CB-CG1 3.83Å; A665-V733 HydrophobicContact CB-CG2 4.02Å; L670-V733 HydrophobicContact CD2-CG2 3.85Å; L703-V733 HydrophobicContact CD1-CG2 3.89Å; L703-V733 HydrophobicContact CD2-CG2 4.36Å; L703-V733 HydrophobicContact CG-CG2 4.42Å; L704-V733 PolarHBondContact O-N 3.33Å; V705-V733 WeakPolarHBondContact CA-O 3.42Å; V705-V733 HydrophobicContact CG2-CB 4.41Å; I706-V733 PolarHBondContact N-O 2.91Å
734	C	93.8	Very high	88.6	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.6	173.7	-53.5	0	0	0	0	109.2	M652 L653 T654 I706 L711 C737	M652-C734 PolarHBondContact O-N 2.94Å; L653-C734 HydrophobicContact CD2-CB 3.48Å; L653-C734 VanDerWaalsContact CD2-CB 3.48Å; L653-C734 WeakPolarHBondContact CD2-SG 3.29Å; T654-C734 PolarHBondContact N-O 3.45Å; I706-C734 HydrophobicContact CG2-CB 3.96Å; I706-C734 WeakPolarHBondContact CG2-SG 3.18Å; I706-C734 WeakPolarHBondContact O-CA 3.41Å; L711-C734 HydrophobicContact CD2-CB 4.15Å; C734-C737 WeakPolarHBondContact CB-SG 3.48Å
735	C	90.1	Very high	88.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.8	-172.9	-47.8	0	0	0	0	111.1	T654 V658 I706 S708 C737	T654-C735 CarbonylContact O-C 3.52Å; V658-C735 HydrophobicContact CB-CB 4.39Å; V658-C735 HydrophobicContact CG2-CB 3.7Å; I706-C735 PolarHBondContact O-N 2.96Å; S708-C735 PolarHBondContact N-O 2.91Å; S708-C735 VanDerWaalsContact N-O 3.07Å; C735-C737 PolarHBondContact O-N 3.03Å
736	R	84.5	Confident	88.9	Confident	131 Å²	131	21.2 Å²	21.2	49%	0.494	11%	0.114	S	C	.	.	S	Bend	trans	53	31.9	-175.9	-60.8	-167.2	178.5	-178.6	3.6	114.2	T654 G655 D656 S708 S738	T654-R736 PolarHBondContact O-N 3.34Å; G655-R736 WeakPolarHBondContact O-CA 3.42Å; D656-R736 WeakPolarHBondContact O-CG 3.27Å; D656-R736 PolarHBondContact O-N 3.4Å; S708-R736 WeakPolarHBondContact CB-O 3.18Å; S708-R736 PolarHBondContact OG-O 3.42Å; R736-S738 PolarHBondContact O-N 2.87Å
737	C	83.7	Confident	88.9	Confident	4 Å²	4	26.1 Å²	26.1	3%	0.027	13%	0.132	C	C	.	.			trans	-70.9	129.8	179.9	-67.6	0	0	0	0	111	T654 C734 C735 K742	T654-C737 PolarHBondContact O-N 3.42Å; C734-C737 WeakPolarHBondContact CB-SG 3.48Å; C735-C737 PolarHBondContact O-N 3.03Å; C737-K742 HydrophobicContact CB-CG 3.89Å
738	S	79.6	Confident	89.2	Confident	50 Å²	50	26.1 Å²	26.1	35%	0.35	13%	0.131	S	C	.	.			trans	-70	157.3	167.2	74.7	0	0	0	0	111	R736 E740 Q741 K742	R736-S738 PolarHBondContact O-N 2.87Å; S738-E740 PolarHBondContact O-N 3.02Å; S738-Q741 WeakPolarHBondContact O-CB 3.27Å; S738-Q741 PolarHBondContact O-N 3.28Å; S738-Q741 VanDerWaalsContact O-N 3.08Å; S738-Q741 VanDerWaalsContact OG-CG 3.29Å; S738-Q741 WeakPolarHBondContact OG-CG 3.36Å; S738-Q741 PolarHBondContact OG-N 3.43Å; S738-K742 PolarHBondContact O-N 3.23Å
739	P	77.8	Confident	89.4	Confident	18 Å²	18	23.9 Å²	23.9	12%	0.117	11%	0.113	C	C	.	.	H	α-helix	trans	-52.1	-37.4	175.8	-30.3	36.6	0	0	0	114.1	A743 N766 S769	P739-A743 PolarHBondContact O-N 2.94Å; P739-N766 WeakPolarHBondContact CB-O 3.4Å; P739-N766 HydrophobicContact CG-CB 4.08Å; P739-S769 PolarHBondContact O-OG 3.33Å
740	E	80.5	Confident	89.6	Confident	56 Å²	56	26.1 Å²	26.1	26%	0.262	12%	0.123	S	C	.	.	H	α-helix	trans	-73.6	-40.5	178.1	-170.7	63.5	-138.3	0	0	111.5	S738 K742 A743 E744 R747	S738-E740 PolarHBondContact O-N 3.02Å; E740-K742 VanDerWaalsContact C-N 3.28Å; E740-K742 PolarHBondContact O-N 3.04Å; E740-A743 CarbonylContact O-C 3.6Å; E740-A743 WeakPolarHBondContact O-CB 3.22Å; E740-A743 PolarHBondContact O-N 3.23Å; E740-A743 VanDerWaalsContact O-N 3.1Å; E740-E744 WeakPolarHBondContact O-CB 3.43Å; E740-E744 PolarHBondContact O-N 2.86Å; E740-R747 IonicContact OE1-CZ 3Å; E740-R747 IonicContact OE1-NH1 3.91Å; E740-R747 PolarHBondContact OE1-NH1 2.64Å; E740-R747 IonicContact OE1-NH2 2.88Å; E740-R747 PolarHBondContact OE1-NH2 2.88Å
741	Q	87	Confident	89.8	Confident	15 Å²	15	31.8 Å²	31.8	7%	0.07	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-40.5	174.8	-75.7	173.5	-18.4	0	0	111	S708 S738 A743 E744 V745	S708-Q741 VanDerWaalsContact OG-CD 3.26Å; S708-Q741 PolarHBondContact OG-NE2 3.34Å; S708-Q741 PolarHBondContact OG-OE1 3.47Å; S738-Q741 WeakPolarHBondContact O-CB 3.27Å; S738-Q741 PolarHBondContact O-N 3.28Å; S738-Q741 VanDerWaalsContact O-N 3.08Å; S738-Q741 VanDerWaalsContact OG-CG 3.29Å; S738-Q741 WeakPolarHBondContact OG-CG 3.36Å; S738-Q741 PolarHBondContact OG-N 3.43Å; Q741-A743 VanDerWaalsContact C-N 3.31Å; Q741-A743 PolarHBondContact O-N 2.95Å; Q741-E744 PolarHBondContact O-N 3.07Å; Q741-V745 WeakPolarHBondContact O-CG2 3.49Å; Q741-V745 PolarHBondContact O-N 3.25Å
742	K	90.6	Very high	89.8	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-46.7	174	-64.2	-170.4	-173.1	-177	0	111.1	D391 L653 C737 S738 E740 V746 D767 M770	D391-K742 IonicContact OD1-NZ 3.25Å; D391-K742 PolarHBondContact OD1-NZ 2.83Å; L653-K742 HydrophobicContact CB-CD 4.34Å; L653-K742 HydrophobicContact CB-CG 4.15Å; L653-K742 HydrophobicContact CD1-CB 4.2Å; L653-K742 HydrophobicContact CD1-CG 4.43Å; L653-K742 WeakPolarHBondContact O-CE 3.32Å; C737-K742 HydrophobicContact CB-CG 3.89Å; S738-K742 PolarHBondContact O-N 3.23Å; E740-K742 VanDerWaalsContact C-N 3.28Å; E740-K742 PolarHBondContact O-N 3.04Å; K742-V746 WeakPolarHBondContact O-CG2 3.19Å; K742-V746 PolarHBondContact O-N 3.37Å; K742-D767 IonicContact NZ-OD1 2.71Å; K742-D767 PolarHBondContact NZ-OD1 3.03Å; K742-M770 HydrophobicContact CB-CB 3.98Å; K742-M770 HydrophobicContact CB-CG 4.17Å; K742-M770 HydrophobicContact CB-SD 4.24Å; K742-M770 HydrophobicContact CD-SD 4.3Å
743	A	89.4	Confident	89.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-36.7	177.6	0	0	0	0	0	112.8	P739 E740 Q741 V746 R747 A773	P739-A743 PolarHBondContact O-N 2.94Å; E740-A743 CarbonylContact O-C 3.6Å; E740-A743 WeakPolarHBondContact O-CB 3.22Å; E740-A743 PolarHBondContact O-N 3.23Å; E740-A743 VanDerWaalsContact O-N 3.1Å; Q741-A743 VanDerWaalsContact C-N 3.31Å; Q741-A743 PolarHBondContact O-N 2.95Å; A743-V746 WeakPolarHBondContact O-CB 3.41Å; A743-V746 PolarHBondContact O-N 3.45Å; A743-R747 WeakPolarHBondContact O-CG 3.44Å; A743-R747 PolarHBondContact O-N 2.67Å; A743-A773 HydrophobicContact CB-CB 4.13Å
744	E	91.9	Very high	88.8	Confident	67 Å²	67	38.4 Å²	38.4	31%	0.313	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-44.2	177.6	-169	170.8	-170.3	0	0	112	L715 E740 Q741 V746 R747 T748	L715-E744 HydrophobicContact CD1-CB 4.28Å; L715-E744 HydrophobicContact CD1-CG 4.04Å; E740-E744 WeakPolarHBondContact O-CB 3.43Å; E740-E744 PolarHBondContact O-N 2.86Å; Q741-E744 PolarHBondContact O-N 3.07Å; E744-V746 VanDerWaalsContact C-N 3.25Å; E744-V746 PolarHBondContact O-N 2.96Å; E744-R747 PolarHBondContact O-N 3.33Å; E744-R747 VanDerWaalsContact O-N 3.07Å; E744-T748 WeakPolarHBondContact O-CB 3.27Å; E744-T748 PolarHBondContact O-N 2.68Å; E744-T748 PolarHBondContact O-OG1 2.96Å
745	V	94.5	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.6	-46.3	172.6	174.5	0	0	0	0	110.6	L389 W651 L653 L711 L715 Q741 R747 T748 L749	L389-V745 HydrophobicContact CD2-CG1 3.98Å; W651-V745 HydrophobicContact CE3-CG1 4.13Å; W651-V745 HydrophobicContact CZ3-CG1 3.99Å; L653-V745 HydrophobicContact CD1-CB 4.29Å; L653-V745 HydrophobicContact CD1-CG1 4.28Å; L653-V745 HydrophobicContact CD2-CG1 4.31Å; L711-V745 HydrophobicContact CD1-CG2 4.05Å; L711-V745 HydrophobicContact CD2-CG2 3.8Å; L711-V745 HydrophobicContact CG-CG2 4.31Å; L715-V745 HydrophobicContact CD1-CG2 3.97Å; Q741-V745 WeakPolarHBondContact O-CG2 3.49Å; Q741-V745 PolarHBondContact O-N 3.25Å; V745-R747 PolarHBondContact O-N 3.35Å; V745-T748 PolarHBondContact O-N 3.07Å; V745-L749 WeakPolarHBondContact O-CB 3.35Å; V745-L749 PolarHBondContact O-N 3.16Å
746	V	94.5	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-46.7	177.3	175.8	0	0	0	0	111.4	L389 K742 A743 E744 K750 V758 M770 A773 A774	L389-V746 HydrophobicContact CD2-CB 4.39Å; L389-V746 HydrophobicContact CD2-CG2 3.4Å; K742-V746 WeakPolarHBondContact O-CG2 3.19Å; K742-V746 PolarHBondContact O-N 3.37Å; A743-V746 WeakPolarHBondContact O-CB 3.41Å; A743-V746 PolarHBondContact O-N 3.45Å; E744-V746 VanDerWaalsContact C-N 3.25Å; E744-V746 PolarHBondContact O-N 2.96Å; V746-K750 HydrophobicContact CG1-CD 3.91Å; V746-K750 WeakPolarHBondContact O-CB 3.46Å; V746-K750 VanDerWaalsContact O-CG 3.23Å; V746-K750 WeakPolarHBondContact O-CG 3.26Å; V746-K750 PolarHBondContact O-N 3.18Å; V746-V758 HydrophobicContact CG1-CG1 4.17Å; V746-M770 HydrophobicContact CG2-CG 3.64Å; V746-A773 HydrophobicContact CB-CB 4.1Å; V746-A773 HydrophobicContact CG1-CB 3.91Å; V746-A774 VanDerWaalsContact CG1-CA 3.48Å; V746-A774 HydrophobicContact CG1-CB 3.99Å
747	R	92.8	Very high	88.8	Confident	103 Å²	103	38.6 Å²	38.6	39%	0.389	21%	0.213	S	C	.	.	H	α-helix	trans	-64.3	-44	-179.2	-68.7	176.9	-154.8	124.9	-3.2	111.5	E740 A743 E744 V745 K750 K751 A773	E740-R747 IonicContact OE1-CZ 3Å; E740-R747 IonicContact OE1-NH1 3.91Å; E740-R747 PolarHBondContact OE1-NH1 2.64Å; E740-R747 IonicContact OE1-NH2 2.88Å; E740-R747 PolarHBondContact OE1-NH2 2.88Å; A743-R747 WeakPolarHBondContact O-CG 3.44Å; A743-R747 PolarHBondContact O-N 2.67Å; E744-R747 PolarHBondContact O-N 3.33Å; E744-R747 VanDerWaalsContact O-N 3.07Å; V745-R747 PolarHBondContact O-N 3.35Å; R747-K750 PolarHBondContact O-N 3.18Å; R747-K751 WeakPolarHBondContact O-CB 3.22Å; R747-K751 PolarHBondContact O-N 3.18Å; R747-A773 HydrophobicContact CG-CB 4.21Å
748	T	94	Very high	89.4	Confident	14 Å²	14	38.4 Å²	38.4	9%	0.086	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-44.6	-179.2	-56.7	0	0	0	0	110.6	L715 P719 I723 E744 V745 K750 K751 Y752	L715-T748 HydrophobicContact CD2-CG2 3.89Å; P719-T748 HydrophobicContact CB-CG2 3.54Å; I723-T748 HydrophobicContact CD1-CG2 4.26Å; I723-T748 HydrophobicContact CG1-CG2 3.77Å; E744-T748 WeakPolarHBondContact O-CB 3.27Å; E744-T748 PolarHBondContact O-N 2.68Å; E744-T748 PolarHBondContact O-OG1 2.96Å; V745-T748 PolarHBondContact O-N 3.07Å; T748-K750 PolarHBondContact O-N 2.74Å; T748-K751 PolarHBondContact O-N 2.89Å; T748-Y752 HydrophobicContact CG2-CD2 3.7Å; T748-Y752 HydrophobicContact CG2-CE2 3.93Å; T748-Y752 VanDerWaalsContact O-CD2 3.3Å; T748-Y752 WeakPolarHBondContact O-CD2 3.09Å; T748-Y752 PolarHBondContact O-N 3.32Å
749	L	94.9	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-46.8	173.9	-176	64.8	0	0	0	111.3	Y387 L389 W651 I723 V745 K751 N753 V758	Y387-L749 HydrophobicContact CD1-CD1 4.18Å; Y387-L749 HydrophobicContact CD1-CD2 3.76Å; Y387-L749 HydrophobicContact CD1-CG 4.49Å; Y387-L749 HydrophobicContact CE1-CD1 4.06Å; Y387-L749 HydrophobicContact CE1-CD2 4.46Å; Y387-L749 HydrophobicContact CG-CD2 3.89Å; L389-L749 HydrophobicContact CD1-CD2 3.9Å; W651-L749 HydrophobicContact CE3-CD2 4.48Å; W651-L749 HydrophobicContact CH2-CD1 3.87Å; W651-L749 HydrophobicContact CZ2-CD1 4.27Å; W651-L749 HydrophobicContact CZ3-CD1 4.35Å; W651-L749 HydrophobicContact CZ3-CD2 4.34Å; I723-L749 HydrophobicContact CD1-CB 4.11Å; I723-L749 HydrophobicContact CD1-CD1 4.09Å; I723-L749 HydrophobicContact CG2-CD1 3.87Å; V745-L749 WeakPolarHBondContact O-CB 3.35Å; V745-L749 PolarHBondContact O-N 3.16Å; L749-K751 VanDerWaalsContact C-N 3.29Å; L749-K751 PolarHBondContact O-N 3.29Å; L749-N753 HydrophobicContact CD1-CB 4.01Å; L749-N753 HydrophobicContact CG-CB 4.48Å; L749-N753 WeakPolarHBondContact O-CB 3.33Å; L749-N753 PolarHBondContact O-N 3.24Å; L749-V758 HydrophobicContact CD2-CG1 4.07Å; L749-V758 HydrophobicContact CD2-CG2 3.79Å; L749-V758 HydrophobicContact CG-CG2 3.96Å
750	K	92.8	Very high	91.1	Very high	47 Å²	47	35.1 Å²	35.1	20%	0.204	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-35.8	177.8	-75.2	173.7	56	158.9	0	113.5	V746 R747 T748 V758 A773 D775	V746-K750 HydrophobicContact CG1-CD 3.91Å; V746-K750 WeakPolarHBondContact O-CB 3.46Å; V746-K750 VanDerWaalsContact O-CG 3.23Å; V746-K750 WeakPolarHBondContact O-CG 3.26Å; V746-K750 PolarHBondContact O-N 3.18Å; R747-K750 PolarHBondContact O-N 3.18Å; T748-K750 PolarHBondContact O-N 2.74Å; K750-V758 HydrophobicContact CD-CB 4.29Å; K750-V758 HydrophobicContact CG-CB 3.83Å; K750-V758 HydrophobicContact CG-CG2 3.57Å; K750-A773 PolarHBondContact NZ-O 3.25Å; K750-D775 WeakPolarHBondContact CE-OD1 3.42Å; K750-D775 WeakPolarHBondContact CE-OD2 3.48Å; K750-D775 VanDerWaalsContact NZ-CG 3.34Å; K750-D775 IonicContact NZ-OD1 2.91Å; K750-D775 PolarHBondContact NZ-OD1 3.35Å; K750-D775 IonicContact NZ-OD2 3.97Å
751	K	92.3	Very high	91.8	Very high	152 Å²	152	32.5 Å²	32.5	66%	0.661	18%	0.177	S	C	*	.	H	α-helix	trans	-73.3	-45.2	-177.3	-172.5	179.8	175.5	-161.8	0	112	R747 T748 L749	R747-K751 WeakPolarHBondContact O-CB 3.22Å; R747-K751 PolarHBondContact O-N 3.18Å; T748-K751 PolarHBondContact O-N 2.89Å; L749-K751 VanDerWaalsContact C-N 3.29Å; L749-K751 PolarHBondContact O-N 3.29Å
752	Y	92.5	Very high	92.1	Very high	62 Å²	62	31.8 Å²	31.8	24%	0.243	17%	0.173	C	C	.	.	H	α-helix	trans	-99	-16.8	-169.6	-65.5	-73.1	0	0	0	114.6	P719 E720 T748 G754	P719-Y752 HydrophobicContact CB-CD2 4.32Å; P719-Y752 HydrophobicContact CB-CE2 3.79Å; P719-Y752 HydrophobicContact CG-CE2 4.04Å; E720-Y752 HydrophobicContact CB-CD1 3.65Å; E720-Y752 HydrophobicContact CB-CE1 3.81Å; E720-Y752 HydrophobicContact CB-CG 4.18Å; E720-Y752 HydrophobicContact CG-CD1 3.73Å; E720-Y752 HydrophobicContact CG-CE1 4.23Å; E720-Y752 HydrophobicContact CG-CG 4.39Å; T748-Y752 HydrophobicContact CG2-CD2 3.7Å; T748-Y752 HydrophobicContact CG2-CE2 3.93Å; T748-Y752 VanDerWaalsContact O-CD2 3.3Å; T748-Y752 WeakPolarHBondContact O-CD2 3.09Å; T748-Y752 PolarHBondContact O-N 3.32Å; Y752-G754 PolarHBondContact O-N 3.14Å
753	N	86.1	Confident	91.9	Very high	9 Å²	9	32 Å²	32	5%	0.048	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	25.6	-174.7	-166.6	16.4	0	0	0	114.6	Y387 I723 L749 G755 K756	Y387-N753 VanDerWaalsContact CD2-ND2 3.32Å; Y387-N753 WeakPolarHBondContact CD2-ND2 3.2Å; Y387-N753 WeakPolarHBondContact CE2-ND2 3.48Å; Y387-N753 PolarHBondContact OH-ND2 3.31Å; Y387-N753 PolarHBondContact OH-OD1 3.5Å; I723-N753 HydrophobicContact CG2-CB 4.25Å; L749-N753 HydrophobicContact CD1-CB 4.01Å; L749-N753 HydrophobicContact CG-CB 4.48Å; L749-N753 WeakPolarHBondContact O-CB 3.33Å; L749-N753 PolarHBondContact O-N 3.24Å; N753-G755 PolarHBondContact O-N 3.17Å; N753-K756 VanDerWaalsContact O-CG 3.25Å; N753-K756 WeakPolarHBondContact O-CG 3.5Å; N753-K756 WeakPolarHBondContact OD1-CD 3.38Å; N753-K756 WeakPolarHBondContact OD1-CE 3.4Å; N753-K756 PolarHBondContact OD1-NZ 2.93Å
754	G	82.2	Confident	91.4	Very high	76 Å²	76	32 Å²	32	78%	0.784	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	28.5	173.2	0	0	0	0	0	115.7	Y752	Y752-G754 PolarHBondContact O-N 3.14Å
755	G	83.5	Confident	90.4	Very high	52 Å²	52	29.8 Å²	29.8	54%	0.536	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	11.3	175.6	0	0	0	0	0	115.7	N753	N753-G755 PolarHBondContact O-N 3.17Å
756	K	90.9	Very high	89.6	Confident	74 Å²	74	30 Å²	30	32%	0.322	17%	0.171	S	C	.	.			trans	-65.7	140.5	172.2	-63.2	-173.7	-160	147.3	0	111.3	Q386 Y387 N753	Q386-K756 HydrophobicContact CB-CB 4.42Å; Q386-K756 VanDerWaalsContact OE1-CA 3.31Å; Y387-K756 HydrophobicContact CD2-CB 4.4Å; Y387-K756 HydrophobicContact CE2-CB 4.26Å; Y387-K756 HydrophobicContact CE2-CD 3.72Å; N753-K756 VanDerWaalsContact O-CG 3.25Å; N753-K756 WeakPolarHBondContact O-CG 3.5Å; N753-K756 WeakPolarHBondContact OD1-CD 3.38Å; N753-K756 WeakPolarHBondContact OD1-CE 3.4Å; N753-K756 PolarHBondContact OD1-NZ 2.93Å
757	L	94.4	Very high	89.1	Confident	9 Å²	9	30 Å²	30	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.2	-174.6	-69.6	163.9	0	0	0	112.2	L295 E381 R384 Q386 Y387 D775	L295-L757 HydrophobicContact CB-CD2 4.14Å; L295-L757 HydrophobicContact CD2-CD1 4.16Å; L295-L757 HydrophobicContact CD2-CD2 4.4Å; L295-L757 HydrophobicContact CD2-CG 4.22Å; E381-L757 WeakPolarHBondContact OE2-CD1 3.3Å; R384-L757 HydrophobicContact CB-CD1 3.58Å; Q386-L757 PolarHBondContact N-O 3.48Å; Y387-L757 PolarHBondContact N-O 2.93Å; L757-D775 HydrophobicContact CD2-CB 3.91Å
758	V	96	Very high	88.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.1	-177.3	-175.8	0	0	0	0	110	L389 V746 L749 K750 D775 V776	L389-V758 HydrophobicContact CD1-CG1 3.34Å; V746-V758 HydrophobicContact CG1-CG1 4.17Å; L749-V758 HydrophobicContact CD2-CG1 4.07Å; L749-V758 HydrophobicContact CD2-CG2 3.79Å; L749-V758 HydrophobicContact CG-CG2 3.96Å; K750-V758 HydrophobicContact CD-CB 4.29Å; K750-V758 HydrophobicContact CG-CB 3.83Å; K750-V758 HydrophobicContact CG-CG2 3.57Å; V758-D775 PolarHBondContact N-OD2 3Å; V758-D775 VanDerWaalsContact N-OD2 3.09Å; V758-D775 WeakPolarHBondContact O-CB 3.41Å; V758-D775 PolarHBondContact O-N 3.47Å; V758-V776 PolarHBondContact O-N 3.2Å
759	A	96.3	Very high	88.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147	168.4	0	0	0	0	0	110.7	I385 Y387 L388 L389 V776	I385-A759 HydrophobicContact CB-CB 4.46Å; I385-A759 HydrophobicContact CD1-CB 3.6Å; I385-A759 HydrophobicContact CG1-CB 3.92Å; I385-A759 HydrophobicContact CG2-CB 3.67Å; Y387-A759 PolarHBondContact O-N 2.66Å; L388-A759 WeakPolarHBondContact CA-O 3.39Å; L388-A759 HydrophobicContact CD1-CB 4.18Å; L389-A759 PolarHBondContact N-O 2.85Å; A759-V776 CarbonylContact C-O 3.51Å; A759-V776 VanDerWaalsContact CA-O 3.24Å; A759-V776 WeakPolarHBondContact CA-O 3.49Å; A759-V776 HydrophobicContact CB-CB 4.23Å
760	A	96.3	Very high	88	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.1	171.7	0	0	0	0	0	110.4	L389 M770 A774 V776 I778	L389-A760 HydrophobicContact CB-CB 4.47Å; L389-A760 CarbonylContact O-C 3.47Å; L389-A760 VanDerWaalsContact O-CA 3.23Å; L389-A760 WeakPolarHBondContact O-CA 3.49Å; A760-M770 HydrophobicContact CB-CE 4.2Å; A760-M770 HydrophobicContact CB-CG 3.77Å; A760-M770 HydrophobicContact CB-SD 4.24Å; A760-A774 HydrophobicContact CB-CB 3.57Å; A760-V776 PolarHBondContact N-O 3.41Å; A760-I778 PolarHBondContact O-N 3.16Å
761	I	95.9	Very high	87.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.2	177.4	-170.9	168	0	0	0	111	L388 L389 C390 D391 T395 M770 I778 I780 I796 F799 L802	L388-I761 HydrophobicContact CD1-CB 4.4Å; L388-I761 HydrophobicContact CD1-CG2 3.9Å; L388-I761 HydrophobicContact CG-CG2 4.4Å; L389-I761 PolarHBondContact O-N 3.09Å; C390-I761 HydrophobicContact CB-CG2 3.53Å; D391-I761 PolarHBondContact N-O 3.39Å; T395-I761 HydrophobicContact CG2-CG1 4.13Å; T395-I761 HydrophobicContact CG2-CG2 4.1Å; I761-M770 WeakPolarHBondContact O-CE 3.49Å; I761-I778 VanDerWaalsContact CA-O 3.26Å; I761-I778 WeakPolarHBondContact CA-O 3.39Å; I761-I778 HydrophobicContact CB-CB 4.15Å; I761-I778 HydrophobicContact CD1-CB 4.34Å; I761-I778 HydrophobicContact CD1-CG2 3.86Å; I761-I778 HydrophobicContact CG1-CB 4.06Å; I761-I778 HydrophobicContact CG1-CG2 3.99Å; I761-I780 HydrophobicContact CD1-CD1 3.83Å; I761-I780 HydrophobicContact CD1-CG1 3.94Å; I761-I780 HydrophobicContact CG1-CD1 4.12Å; I761-I780 HydrophobicContact CG1-CG1 4.04Å; I761-I796 HydrophobicContact CD1-CD1 3.95Å; I761-F799 HydrophobicContact CD1-CD2 3.98Å; I761-F799 HydrophobicContact CD1-CE2 4.25Å; I761-F799 HydrophobicContact CG2-CE2 4.17Å; I761-L802 HydrophobicContact CD1-CD2 4.12Å
762	G	92.2	Very high	87.6	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	167	-179.8	0	0	0	0	0	111.8	T395 D767 I778 G779 I780 A788	T395-G762 VanDerWaalsContact OG1-CA 3.3Å; T395-G762 WeakPolarHBondContact OG1-CA 3.24Å; G762-D767 WeakPolarHBondContact CA-OD2 2.98Å; G762-I778 PolarHBondContact N-O 3.43Å; G762-G779 CarbonylContact O-C 3.56Å; G762-G779 VanDerWaalsContact O-CA 3.29Å; G762-G779 WeakPolarHBondContact O-CA 3.31Å; G762-I780 PolarHBondContact O-N 3.21Å; G762-A788 WeakPolarHBondContact O-CB 3.01Å
763	D	87.4	Confident	87.5	Confident	7 Å²	7	13.9 Å²	13.9	4%	0.037	11%	0.106	C	C	.	.	S	Bend	trans	-119.6	-28.5	179	77.2	-45.2	0	0	0	112.5	G394 T395 D767 I780 A788	G394-D763 VanDerWaalsContact CA-OD2 3.3Å; G394-D763 WeakPolarHBondContact CA-OD2 3.13Å; T395-D763 PolarHBondContact OG1-N 3.24Å; D763-D767 PolarHBondContact N-OD2 3.21Å; D763-I780 HydrophobicContact CB-CB 3.98Å; D763-I780 HydrophobicContact CB-CG2 4.4Å; D763-A788 WeakPolarHBondContact O-CB 3.35Å
764	G	77.3	Confident	87.8	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	-89.1	162.6	-175.3	0	0	0	0	0	116.1	N766 D767 A788	G764-N766 VanDerWaalsContact C-OD1 3.29Å; G764-N766 WeakPolarHBondContact CA-OD1 3.49Å; G764-N766 PolarHBondContact O-N 3.25Å; G764-D767 PolarHBondContact O-N 2.95Å; G764-D767 VanDerWaalsContact O-N 3.15Å; G764-A788 WeakPolarHBondContact O-CB 3.25Å
765	G	71.7	Confident	88.4	Confident	20 Å²	20	11.4 Å²	11.4	21%	0.206	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-59.2	-32	171.9	0	0	0	0	0	113.7	Q191 D767 V768	Q191-G765 CarbonylContact O-C 3.6Å; Q191-G765 VanDerWaalsContact O-C 3.23Å; Q191-G765 WeakPolarHBondContact O-CA 3.41Å; Q191-G765 PolarHBondContact O-N 3.42Å; G765-D767 PolarHBondContact O-N 3.39Å; G765-V768 WeakPolarHBondContact O-CB 3.42Å; G765-V768 WeakPolarHBondContact O-CG2 3.26Å; G765-V768 PolarHBondContact O-N 3.34Å
766	N	77.4	Confident	88.9	Confident	4 Å²	4	9 Å²	9	2%	0.021	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24.9	173.8	64.8	-23.4	0	0	0	113.5	Q191 L192 G194 P739 G764	Q191-N766 PolarHBondContact O-N 2.98Å; L192-N766 WeakPolarHBondContact O-CB 3.45Å; G194-N766 WeakPolarHBondContact CA-ND2 3.46Å; G194-N766 PolarHBondContact N-ND2 3.28Å; P739-N766 WeakPolarHBondContact CB-O 3.4Å; P739-N766 HydrophobicContact CG-CB 4.08Å; G764-N766 VanDerWaalsContact C-OD1 3.29Å; G764-N766 WeakPolarHBondContact CA-OD1 3.49Å; G764-N766 PolarHBondContact O-N 3.25Å
767	D	84.6	Confident	89.1	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-93.4	-8.8	-178.1	-63.2	-34.4	0	0	0	113.3	D391 K742 G762 D763 G764 G765 S769 M770 I771	D391-D767 VanDerWaalsContact CB-OD2 3.24Å; D391-D767 WeakPolarHBondContact CB-OD2 3.16Å; K742-D767 IonicContact NZ-OD1 2.71Å; K742-D767 PolarHBondContact NZ-OD1 3.03Å; G762-D767 WeakPolarHBondContact CA-OD2 2.98Å; D763-D767 PolarHBondContact N-OD2 3.21Å; G764-D767 PolarHBondContact O-N 2.95Å; G764-D767 VanDerWaalsContact O-N 3.15Å; G765-D767 PolarHBondContact O-N 3.39Å; D767-S769 VanDerWaalsContact C-N 3.26Å; D767-S769 PolarHBondContact O-N 3.25Å; D767-M770 HydrophobicContact CB-CE 3.97Å; D767-M770 WeakPolarHBondContact O-CB 3.36Å; D767-M770 PolarHBondContact O-N 3.1Å; D767-M770 VanDerWaalsContact O-N 3.07Å; D767-I771 HydrophobicContact CB-CD1 4.09Å; D767-I771 HydrophobicContact CB-CG1 4.47Å; D767-I771 WeakPolarHBondContact O-CB 3.29Å; D767-I771 VanDerWaalsContact O-CG1 3.28Å; D767-I771 WeakPolarHBondContact O-CG1 3.5Å; D767-I771 PolarHBondContact O-N 2.87Å
768	V	82.3	Confident	89.1	Confident	8 Å²	8	5 Å²	5	5%	0.048	3%	0.032	C	C	.	.	H	α-helix	trans	-57.8	-41.6	-177	172.2	0	0	0	0	111.3	T286 G765 I771 Q772 A791	T286-V768 HydrophobicContact CG2-CG1 3.84Å; G765-V768 WeakPolarHBondContact O-CB 3.42Å; G765-V768 WeakPolarHBondContact O-CG2 3.26Å; G765-V768 PolarHBondContact O-N 3.34Å; V768-I771 PolarHBondContact O-N 3.34Å; V768-Q772 HydrophobicContact CG1-CG 4.28Å; V768-Q772 WeakPolarHBondContact O-CB 3.2Å; V768-Q772 VanDerWaalsContact O-CG 3.23Å; V768-Q772 WeakPolarHBondContact O-CG 3.37Å; V768-Q772 PolarHBondContact O-N 2.93Å; V768-A791 HydrophobicContact CB-CB 4.38Å; V768-A791 HydrophobicContact CG1-CB 3.6Å; V768-A791 HydrophobicContact CG2-CB 4.05Å
769	S	84.5	Confident	88.9	Confident	2 Å²	2	5 Å²	5	1%	0.014	3%	0.032	C	C	.	.	H	α-helix	trans	-61.6	-44.2	176.9	58	0	0	0	0	111.8	P739 D767 A773	P739-S769 PolarHBondContact O-OG 3.33Å; D767-S769 VanDerWaalsContact C-N 3.26Å; D767-S769 PolarHBondContact O-N 3.25Å; S769-A773 VanDerWaalsContact O-CB 3.24Å; S769-A773 WeakPolarHBondContact O-CB 3.18Å; S769-A773 PolarHBondContact O-N 2.7Å
770	M	91	Very high	88.7	Confident	0 Å²	0	5 Å²	5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63.1	-49.3	176.9	-174.4	-172	54.9	0	0	111.3	L389 L653 K742 V746 A760 I761 D767 Q772 A773 A774	L389-M770 HydrophobicContact CB-SD 4.19Å; L653-M770 HydrophobicContact CB-SD 4.49Å; L653-M770 HydrophobicContact CD1-SD 3.83Å; K742-M770 HydrophobicContact CB-CB 3.98Å; K742-M770 HydrophobicContact CB-CG 4.17Å; K742-M770 HydrophobicContact CB-SD 4.24Å; K742-M770 HydrophobicContact CD-SD 4.3Å; V746-M770 HydrophobicContact CG2-CG 3.64Å; A760-M770 HydrophobicContact CB-CE 4.2Å; A760-M770 HydrophobicContact CB-CG 3.77Å; A760-M770 HydrophobicContact CB-SD 4.24Å; I761-M770 WeakPolarHBondContact O-CE 3.49Å; D767-M770 HydrophobicContact CB-CE 3.97Å; D767-M770 WeakPolarHBondContact O-CB 3.36Å; D767-M770 PolarHBondContact O-N 3.1Å; D767-M770 VanDerWaalsContact O-N 3.07Å; M770-Q772 PolarHBondContact O-N 3.35Å; M770-A773 PolarHBondContact O-N 3.41Å; M770-A774 PolarHBondContact O-N 2.99Å; M770-A774 VanDerWaalsContact O-N 3.08Å
771	I	90.6	Very high	88.2	Confident	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.4	-43	179.7	-72.6	172.6	0	0	0	111.4	K292 D767 V768 A788 A792	K292-I771 PolarHBondContact NZ-O 3.43Å; D767-I771 HydrophobicContact CB-CD1 4.09Å; D767-I771 HydrophobicContact CB-CG1 4.47Å; D767-I771 WeakPolarHBondContact O-CB 3.29Å; D767-I771 VanDerWaalsContact O-CG1 3.28Å; D767-I771 WeakPolarHBondContact O-CG1 3.5Å; D767-I771 PolarHBondContact O-N 2.87Å; V768-I771 PolarHBondContact O-N 3.34Å; I771-A788 HydrophobicContact CD1-CB 3.77Å; I771-A792 HydrophobicContact CG2-CB 3.81Å
772	Q	87.3	Confident	87.1	Confident	22 Å²	22	8 Å²	8	10%	0.103	5%	0.053	C	C	.	.	H	α-helix	trans	-73.1	-33.8	178.7	-71	-179.1	3.3	0	0	112.7	S287 R290 V768 M770 A774	S287-Q772 PolarHBondContact O-NE2 3.27Å; S287-Q772 PolarHBondContact O-OE1 2.85Å; S287-Q772 PolarHBondContact OG-OE1 2.87Å; R290-Q772 PolarHBondContact NE-O 2.68Å; R290-Q772 PolarHBondContact NH2-O 3.23Å; R290-Q772 VanDerWaalsContact NH2-O 3.15Å; V768-Q772 HydrophobicContact CG1-CG 4.28Å; V768-Q772 WeakPolarHBondContact O-CB 3.2Å; V768-Q772 VanDerWaalsContact O-CG 3.23Å; V768-Q772 WeakPolarHBondContact O-CG 3.37Å; V768-Q772 PolarHBondContact O-N 2.93Å; M770-Q772 PolarHBondContact O-N 3.35Å; Q772-A774 VanDerWaalsContact C-N 3.32Å
773	A	89.6	Confident	85.9	Confident	7 Å²	7	17 Å²	17	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-68.6	-30.2	176.7	0	0	0	0	0	112.9	R290 A743 V746 R747 K750 S769 M770	R290-A773 VanDerWaalsContact NH2-C 3.31Å; R290-A773 PolarHBondContact NH2-O 2.92Å; A743-A773 HydrophobicContact CB-CB 4.13Å; V746-A773 HydrophobicContact CB-CB 4.1Å; V746-A773 HydrophobicContact CG1-CB 3.91Å; R747-A773 HydrophobicContact CG-CB 4.21Å; K750-A773 PolarHBondContact NZ-O 3.25Å; S769-A773 VanDerWaalsContact O-CB 3.24Å; S769-A773 WeakPolarHBondContact O-CB 3.18Å; S769-A773 PolarHBondContact O-N 2.7Å; M770-A773 PolarHBondContact O-N 3.41Å
774	A	93.5	Very high	84.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-66.7	161.4	179.4	0	0	0	0	0	113.2	R290 K292 V746 A760 M770 Q772 V776	R290-A774 PolarHBondContact NH2-O 3.45Å; K292-A774 VanDerWaalsContact CE-O 3.27Å; K292-A774 WeakPolarHBondContact CE-O 3.11Å; K292-A774 PolarHBondContact NZ-O 3.45Å; V746-A774 VanDerWaalsContact CG1-CA 3.48Å; V746-A774 HydrophobicContact CG1-CB 3.99Å; A760-A774 HydrophobicContact CB-CB 3.57Å; M770-A774 PolarHBondContact O-N 2.99Å; M770-A774 VanDerWaalsContact O-N 3.08Å; Q772-A774 VanDerWaalsContact C-N 3.32Å; A774-V776 VanDerWaalsContact C-N 3.35Å; A774-V776 WeakPolarHBondContact CB-O 3.34Å
775	D	93.6	Very high	84	Confident	34 Å²	34	19.4 Å²	19.4	18%	0.182	11%	0.107	C	C	.	.	S	Bend	trans	-70.1	-37.2	170.5	-62.2	-55.6	0	0	0	110.9	K292 I378 K750 L757 V758	K292-D775 VanDerWaalsContact CD-O 3.25Å; K292-D775 WeakPolarHBondContact CD-O 3.16Å; I378-D775 WeakPolarHBondContact CD1-O 3.41Å; K750-D775 WeakPolarHBondContact CE-OD1 3.42Å; K750-D775 WeakPolarHBondContact CE-OD2 3.48Å; K750-D775 VanDerWaalsContact NZ-CG 3.34Å; K750-D775 IonicContact NZ-OD1 2.91Å; K750-D775 PolarHBondContact NZ-OD1 3.35Å; K750-D775 IonicContact NZ-OD2 3.97Å; L757-D775 HydrophobicContact CD2-CB 3.91Å; V758-D775 PolarHBondContact N-OD2 3Å; V758-D775 VanDerWaalsContact N-OD2 3.09Å; V758-D775 WeakPolarHBondContact O-CB 3.41Å; V758-D775 PolarHBondContact O-N 3.47Å
776	V	94.8	Very high	84	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.6	171.6	-177.9	0	0	0	0	108.9	I378 E381 L382 I385 V758 A759 A760 A774 I778 F794	I378-V776 HydrophobicContact CD1-CG2 4.22Å; E381-V776 HydrophobicContact CB-CG2 3.68Å; L382-V776 HydrophobicContact CD2-CG1 3.84Å; I385-V776 HydrophobicContact CD1-CB 4.15Å; I385-V776 HydrophobicContact CD1-CG1 4.4Å; I385-V776 HydrophobicContact CD1-CG2 4.08Å; I385-V776 HydrophobicContact CG1-CG2 4.4Å; V758-V776 PolarHBondContact O-N 3.2Å; A759-V776 CarbonylContact C-O 3.51Å; A759-V776 VanDerWaalsContact CA-O 3.24Å; A759-V776 WeakPolarHBondContact CA-O 3.49Å; A759-V776 HydrophobicContact CB-CB 4.23Å; A760-V776 PolarHBondContact N-O 3.41Å; A774-V776 VanDerWaalsContact C-N 3.35Å; A774-V776 WeakPolarHBondContact CB-O 3.34Å; V776-I778 HydrophobicContact CG1-CD1 4.47Å; V776-I778 HydrophobicContact CG1-CG1 4.08Å; V776-F794 HydrophobicContact CG1-CD2 3.81Å; V776-F794 HydrophobicContact CG1-CE2 3.91Å
777	G	93.9	Very high	83.8	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.1	174.7	0	0	0	0	0	110.6	D793 F794	G777-D793 PolarHBondContact N-OD2 3.4Å; G777-D793 WeakPolarHBondContact O-CA 3.33Å; G777-D793 WeakPolarHBondContact O-CB 3.5Å; G777-D793 PolarHBondContact O-N 3.07Å; G777-F794 PolarHBondContact O-N 2.9Å; G777-F794 VanDerWaalsContact O-N 3.13Å
778	I	95.1	Very high	83.5	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.3	-179.9	-54.3	175.8	0	0	0	107.9	A760 I761 G762 V776 F794 I796 L802 L805	A760-I778 PolarHBondContact O-N 3.16Å; I761-I778 VanDerWaalsContact CA-O 3.26Å; I761-I778 WeakPolarHBondContact CA-O 3.39Å; I761-I778 HydrophobicContact CB-CB 4.15Å; I761-I778 HydrophobicContact CD1-CB 4.34Å; I761-I778 HydrophobicContact CD1-CG2 3.86Å; I761-I778 HydrophobicContact CG1-CB 4.06Å; I761-I778 HydrophobicContact CG1-CG2 3.99Å; G762-I778 PolarHBondContact N-O 3.43Å; V776-I778 HydrophobicContact CG1-CD1 4.47Å; V776-I778 HydrophobicContact CG1-CG1 4.08Å; I778-F794 CarbonylContact C-O 3.56Å; I778-F794 VanDerWaalsContact CA-O 3.32Å; I778-F794 WeakPolarHBondContact CA-O 2.85Å; I778-F794 HydrophobicContact CG1-CB 4.48Å; I778-I796 HydrophobicContact CG2-CD1 3.82Å; I778-I796 HydrophobicContact CG2-CG1 4.03Å; I778-L802 HydrophobicContact CD1-CD1 3.33Å; I778-L805 HydrophobicContact CD1-CD2 4.33Å
779	G	92.4	Very high	83.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.4	-180	0	0	0	0	0	110.2	G762 F794 S795 I796	G762-G779 CarbonylContact O-C 3.56Å; G762-G779 VanDerWaalsContact O-CA 3.29Å; G762-G779 WeakPolarHBondContact O-CA 3.31Å; G779-F794 PolarHBondContact N-O 3.49Å; G779-S795 CarbonylContact O-C 3.52Å; G779-S795 VanDerWaalsContact O-CA 3.24Å; G779-S795 WeakPolarHBondContact O-CA 3.44Å; G779-I796 PolarHBondContact O-N 3.03Å
780	I	92.2	Very high	83.1	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.7	169.2	-63.8	-177.4	0	0	0	108.5	T395 I761 G762 D763 G782 I796 F799	T395-I780 HydrophobicContact CG2-CD1 3.86Å; I761-I780 HydrophobicContact CD1-CD1 3.83Å; I761-I780 HydrophobicContact CD1-CG1 3.94Å; I761-I780 HydrophobicContact CG1-CD1 4.12Å; I761-I780 HydrophobicContact CG1-CG1 4.04Å; G762-I780 PolarHBondContact O-N 3.21Å; D763-I780 HydrophobicContact CB-CB 3.98Å; D763-I780 HydrophobicContact CB-CG2 4.4Å; I780-G782 PolarHBondContact O-N 3.43Å; I780-G782 VanDerWaalsContact O-N 3.09Å; I780-I796 CarbonylContact C-O 3.53Å; I780-I796 WeakPolarHBondContact CA-O 3.26Å; I780-I796 HydrophobicContact CG1-CD1 4.32Å; I780-I796 HydrophobicContact CG1-CG1 3.95Å; I780-F799 HydrophobicContact CD1-CB 4.16Å; I780-F799 HydrophobicContact CD1-CD2 4.34Å
781	V	86	Confident	82.4	Confident	46 Å²	46	31.7 Å²	31.7	28%	0.279	16%	0.158	S	C	.	.			trans	-76.5	93.3	172.2	-178.2	0	0	0	0	108	R786 S795 I796	V781-R786 HydrophobicContact CG1-CG 4.41Å; V781-S795 WeakPolarHBondContact CG2-OG 3.49Å; V781-I796 PolarHBondContact N-O 3.41Å
782	G	71.9	Confident	82.3	Confident	15 Å²	15	31.9 Å²	31.9	16%	0.155	16%	0.16	C	C	.	.			trans	-69.7	160.4	176.9	0	0	0	0	0	112.9	I780 E784	I780-G782 PolarHBondContact O-N 3.43Å; I780-G782 VanDerWaalsContact O-N 3.09Å; G782-E784 VanDerWaalsContact C-N 3.31Å
783	K	67.5	Low	82.4	Confident	191 Å²	191	31.5 Å²	31.5	83%	0.83	16%	0.159	S	C	*	.	S	Bend	trans	-68.9	-33.1	171.6	-68.3	-178.8	-179.4	173.1	0	111.7
784	E	59.7	Low	82.5	Confident	45 Å²	45	31.1 Å²	31.1	21%	0.21	16%	0.156	C	C	.	.	S	Bend	trans	-84.6	-23.4	-171	-64.2	160.1	-173.6	0	0	112.9	R168 D190 Q191 N399 G782	R168-E784 PolarHBondContact NH2-O 3.37Å; D190-E784 VanDerWaalsContact CB-OE2 3.23Å; D190-E784 WeakPolarHBondContact CB-OE2 3.38Å; D190-E784 VanDerWaalsContact OD2-CG 3.22Å; D190-E784 WeakPolarHBondContact OD2-CG 3.4Å; Q191-E784 PolarHBondContact NE2-OE2 3.05Å; N399-E784 PolarHBondContact ND2-OE1 3.18Å; G782-E784 VanDerWaalsContact C-N 3.31Å
785	G	64.5	Low	82.5	Confident	13 Å²	13	31.2 Å²	31.2	13%	0.134	16%	0.157	C	C	.	.			trans	179.2	171.6	-177.3	0	0	0	0	0	113.9
786	R	71.4	Confident	82.5	Confident	163 Å²	163	29.6 Å²	29.6	62%	0.615	15%	0.148	S	C	*	.	S	Bend	trans	-115.2	12.7	179.5	-63.2	-176.3	178.6	173.4	0.1	113.2	V781 A788 S789 L790	V781-R786 HydrophobicContact CG1-CG 4.41Å; R786-A788 PolarHBondContact O-N 3.4Å; R786-S789 WeakPolarHBondContact O-CB 3.27Å; R786-S789 PolarHBondContact O-N 2.99Å; R786-L790 HydrophobicContact CB-CD1 4.23Å; R786-L790 HydrophobicContact CB-CG 4.18Å; R786-L790 VanDerWaalsContact O-CB 3.3Å; R786-L790 WeakPolarHBondContact O-CB 3.47Å; R786-L790 WeakPolarHBondContact O-CG 3.43Å; R786-L790 PolarHBondContact O-N 3.1Å
787	H	73	Confident	82.4	Confident	41 Å²	41	32 Å²	32	19%	0.19	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-48.7	-170.9	-71.3	-96.8	0	0	0	112.8	R168 D261 L790 A791	R168-H787 PolarHBondContact NH1-CD2 3.44Å; R168-H787 PolarHBondContact NH1-NE2 3.04Å; D261-H787 IonicContact OD1-CE1 2.7Å; D261-H787 IonicContact OD1-NE2 3.54Å; D261-H787 IonicContact OD2-CE1 3Å; H787-L790 PolarHBondContact O-N 3.33Å; H787-A791 PolarHBondContact O-N 3.01Å; H787-A791 VanDerWaalsContact O-N 3.1Å
788	A	78.7	Confident	82.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-50.1	174.5	0	0	0	0	0	111.5	G762 D763 G764 I771 R786 L790 A791 A792	G762-A788 WeakPolarHBondContact O-CB 3.01Å; D763-A788 WeakPolarHBondContact O-CB 3.35Å; G764-A788 WeakPolarHBondContact O-CB 3.25Å; I771-A788 HydrophobicContact CD1-CB 3.77Å; R786-A788 PolarHBondContact O-N 3.4Å; A788-L790 VanDerWaalsContact C-N 3.25Å; A788-L790 PolarHBondContact O-N 3.08Å; A788-A791 PolarHBondContact O-N 3.46Å; A788-A791 VanDerWaalsContact O-N 3.15Å; A788-A792 VanDerWaalsContact O-CB 3.25Å; A788-A792 WeakPolarHBondContact O-CB 3.31Å; A788-A792 PolarHBondContact O-N 3.14Å
789	S	82.3	Confident	82.2	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-50.8	-45.9	175.1	167.6	0	0	0	0	111.5	R374 R786 A791 S795	R374-S789 WeakPolarHBondContact CD-O 3.41Å; R374-S789 VanDerWaalsContact CZ-O 3.31Å; R374-S789 PolarHBondContact NE-O 3.23Å; R374-S789 PolarHBondContact NH2-O 3.45Å; R374-S789 PolarHBondContact NH2-OG 2.71Å; R786-S789 WeakPolarHBondContact O-CB 3.27Å; R786-S789 PolarHBondContact O-N 2.99Å; S789-A791 PolarHBondContact O-N 3.42Å; S789-S795 WeakPolarHBondContact CB-OG 3.26Å; S789-S795 WeakPolarHBondContact OG-CB 3.26Å; S789-S795 PolarHBondContact OG-OG 3.32Å
790	L	75.6	Confident	82.3	Confident	50 Å²	50	37.4 Å²	37.4	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-66.1	-35.3	-177.7	-73	169.3	0	0	0	113.5	R130 R374 R786 H787 A788	R130-L790 PolarHBondContact NH1-O 2.85Å; R374-L790 VanDerWaalsContact CZ-CA 3.45Å; R786-L790 HydrophobicContact CB-CD1 4.23Å; R786-L790 HydrophobicContact CB-CG 4.18Å; R786-L790 VanDerWaalsContact O-CB 3.3Å; R786-L790 WeakPolarHBondContact O-CB 3.47Å; R786-L790 WeakPolarHBondContact O-CG 3.43Å; R786-L790 PolarHBondContact O-N 3.1Å; H787-L790 PolarHBondContact O-N 3.33Å; A788-L790 VanDerWaalsContact C-N 3.25Å; A788-L790 PolarHBondContact O-N 3.08Å
791	A	77.4	Confident	82.5	Confident	35 Å²	35	37.7 Å²	37.7	29%	0.289	19%	0.193	S	C	.	.	H	α-helix	trans	-89.5	-18.6	-178.9	0	0	0	0	0	114	V768 H787 A788 S789	V768-A791 HydrophobicContact CB-CB 4.38Å; V768-A791 HydrophobicContact CG1-CB 3.6Å; V768-A791 HydrophobicContact CG2-CB 4.05Å; H787-A791 PolarHBondContact O-N 3.01Å; H787-A791 VanDerWaalsContact O-N 3.1Å; A788-A791 PolarHBondContact O-N 3.46Å; A788-A791 VanDerWaalsContact O-N 3.15Å; S789-A791 PolarHBondContact O-N 3.42Å
792	A	87.6	Confident	82.9	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.033	18%	0.179	C	C	.	.	S	Bend	trans	-72.1	161	-179.2	0	0	0	0	0	113.8	R374 I771 A788 F794	R374-A792 WeakPolarHBondContact CB-O 3.01Å; I771-A792 HydrophobicContact CG2-CB 3.81Å; A788-A792 VanDerWaalsContact O-CB 3.25Å; A788-A792 WeakPolarHBondContact O-CB 3.31Å; A788-A792 PolarHBondContact O-N 3.14Å; A792-F794 WeakPolarHBondContact CB-O 3.32Å
793	D	89.2	Confident	84	Confident	14 Å²	14	35.1 Å²	35.1	8%	0.075	18%	0.175	C	C	.	.	S	Bend	trans	-77.3	-39.2	173.2	-60.5	-60.6	0	0	0	111	K292 R374 S375 I378 G777	K292-D793 WeakPolarHBondContact CD-OD2 3.4Å; K292-D793 VanDerWaalsContact CE-OD2 3.27Å; K292-D793 WeakPolarHBondContact CE-OD2 3.46Å; K292-D793 IonicContact NZ-OD2 3.63Å; K292-D793 PolarHBondContact NZ-OD2 3.17Å; R374-D793 WeakPolarHBondContact CA-O 2.98Å; R374-D793 PolarHBondContact N-O 3.34Å; S375-D793 WeakPolarHBondContact CB-OD1 3.49Å; S375-D793 PolarHBondContact N-O 3.19Å; S375-D793 PolarHBondContact OG-OD1 3.29Å; I378-D793 HydrophobicContact CD1-CB 4Å; G777-D793 PolarHBondContact N-OD2 3.4Å; G777-D793 WeakPolarHBondContact O-CA 3.33Å; G777-D793 WeakPolarHBondContact O-CB 3.5Å; G777-D793 PolarHBondContact O-N 3.07Å
794	F	93	Very high	85.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133	176	-60.5	-87.8	0	0	0	109	I362 V373 I378 L382 V776 G777 I778 G779 A792 L805	I362-F794 HydrophobicContact CD1-CE1 4.17Å; V373-F794 HydrophobicContact CB-CD1 4.39Å; V373-F794 HydrophobicContact CB-CE1 4.38Å; V373-F794 HydrophobicContact CG1-CD1 4.11Å; V373-F794 HydrophobicContact CG1-CE1 3.72Å; V373-F794 HydrophobicContact CG1-CZ 4.44Å; V373-F794 HydrophobicContact CG2-CD1 3.86Å; V373-F794 HydrophobicContact CG2-CE1 3.9Å; I378-F794 HydrophobicContact CG1-CE2 4.36Å; L382-F794 HydrophobicContact CD1-CD1 4.25Å; L382-F794 HydrophobicContact CD1-CE1 3.68Å; L382-F794 HydrophobicContact CD1-CE2 4Å; L382-F794 HydrophobicContact CD1-CZ 3.56Å; L382-F794 HydrophobicContact CD2-CD2 4.06Å; L382-F794 HydrophobicContact CD2-CE2 3.87Å; L382-F794 HydrophobicContact CD2-CZ 4.3Å; L382-F794 HydrophobicContact CG-CE2 3.97Å; L382-F794 HydrophobicContact CG-CZ 3.95Å; V776-F794 HydrophobicContact CG1-CD2 3.81Å; V776-F794 HydrophobicContact CG1-CE2 3.91Å; G777-F794 PolarHBondContact O-N 2.9Å; G777-F794 VanDerWaalsContact O-N 3.13Å; I778-F794 CarbonylContact C-O 3.56Å; I778-F794 VanDerWaalsContact CA-O 3.32Å; I778-F794 WeakPolarHBondContact CA-O 2.85Å; I778-F794 HydrophobicContact CG1-CB 4.48Å; G779-F794 PolarHBondContact N-O 3.49Å; A792-F794 WeakPolarHBondContact CB-O 3.32Å; F794-L805 HydrophobicContact CB-CD2 4.18Å; F794-L805 HydrophobicContact CD1-CD1 4.37Å; F794-L805 HydrophobicContact CG-CD2 4.4Å
795	S	92.5	Very high	87.1	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.8	171.9	-176.2	0	0	0	0	109.1	T371 V372 G779 V781 S789	T371-S795 CarbonylContact C-O 3.48Å; T371-S795 VanDerWaalsContact CA-O 3.25Å; T371-S795 WeakPolarHBondContact CA-O 3.14Å; V372-S795 PolarHBondContact N-O 3.43Å; V372-S795 PolarHBondContact O-N 2.9Å; G779-S795 CarbonylContact O-C 3.52Å; G779-S795 VanDerWaalsContact O-CA 3.24Å; G779-S795 WeakPolarHBondContact O-CA 3.44Å; V781-S795 WeakPolarHBondContact CG2-OG 3.49Å; S789-S795 WeakPolarHBondContact CB-OG 3.26Å; S789-S795 WeakPolarHBondContact OG-CB 3.26Å; S789-S795 PolarHBondContact OG-OG 3.32Å
796	I	94.5	Very high	88.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	163.1	173.9	63.4	-178.4	0	0	0	109.6	T371 I761 I778 G779 I780 V781 Q798 L802 L805	T371-I796 HydrophobicContact CG2-CG2 4.1Å; I761-I796 HydrophobicContact CD1-CD1 3.95Å; I778-I796 HydrophobicContact CG2-CD1 3.82Å; I778-I796 HydrophobicContact CG2-CG1 4.03Å; G779-I796 PolarHBondContact O-N 3.03Å; I780-I796 CarbonylContact C-O 3.53Å; I780-I796 WeakPolarHBondContact CA-O 3.26Å; I780-I796 HydrophobicContact CG1-CD1 4.32Å; I780-I796 HydrophobicContact CG1-CG1 3.95Å; V781-I796 PolarHBondContact N-O 3.41Å; I796-Q798 VanDerWaalsContact CD1-O 3.26Å; I796-Q798 WeakPolarHBondContact CD1-O 3.06Å; I796-L802 HydrophobicContact CD1-CB 4.36Å; I796-L805 HydrophobicContact CG2-CD2 4.07Å
797	T	91.1	Very high	89.7	Confident	51 Å²	51	16.5 Å²	16.5	31%	0.313	9%	0.094	S	C	.	.	S	Bend	trans	-91.1	-31	-178.9	47.5	0	0	0	0	112.7	P369	P369-T797 WeakPolarHBondContact O-CG2 3.22Å; P369-T797 PolarHBondContact O-OG1 3.23Å
798	Q	92.3	Very high	90.8	Very high	85 Å²	85	15 Å²	15	40%	0.397	9%	0.086	S	C	.	.	S	Bend	trans	-141.1	154.7	-176.4	-64.2	-178.5	-10.5	0	0	110.9	I796 S800 S801	I796-Q798 VanDerWaalsContact CD1-O 3.26Å; I796-Q798 WeakPolarHBondContact CD1-O 3.06Å; Q798-S800 VanDerWaalsContact C-N 3.32Å; Q798-S800 PolarHBondContact O-N 3.33Å; Q798-S800 PolarHBondContact OE1-OG 3.49Å; Q798-S801 WeakPolarHBondContact O-CB 3.38Å; Q798-S801 PolarHBondContact O-N 3.45Å
799	F	94.6	Very high	91.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.7	177.2	-171.7	-90.5	0	0	0	112.9	L388 T395 L396 Q633 V636 T639 L640 I761 I780 S801 L802	L388-F799 HydrophobicContact CD2-CZ 4.39Å; T395-F799 HydrophobicContact CG2-CD2 4.11Å; T395-F799 HydrophobicContact CG2-CE2 4.47Å; L396-F799 HydrophobicContact CD2-CD1 4.43Å; L396-F799 HydrophobicContact CD2-CD2 3.94Å; L396-F799 HydrophobicContact CD2-CE1 4.1Å; L396-F799 HydrophobicContact CD2-CE2 3.57Å; L396-F799 HydrophobicContact CD2-CG 4.35Å; L396-F799 HydrophobicContact CD2-CZ 3.66Å; Q633-F799 HydrophobicContact CB-CB 4.48Å; V636-F799 HydrophobicContact CB-CD1 4.29Å; V636-F799 HydrophobicContact CG1-CD1 4.26Å; V636-F799 HydrophobicContact CG1-CE1 4.28Å; V636-F799 HydrophobicContact CG2-CB 4.13Å; V636-F799 HydrophobicContact CG2-CD1 3.88Å; V636-F799 HydrophobicContact CG2-CG 4.19Å; T639-F799 HydrophobicContact CG2-CD1 3.85Å; T639-F799 HydrophobicContact CG2-CE1 3.58Å; L640-F799 HydrophobicContact CD2-CE1 4.16Å; L640-F799 HydrophobicContact CD2-CZ 3.84Å; L640-F799 HydrophobicContact CG-CE1 4.03Å; L640-F799 HydrophobicContact CG-CZ 4.19Å; I761-F799 HydrophobicContact CD1-CD2 3.98Å; I761-F799 HydrophobicContact CD1-CE2 4.25Å; I761-F799 HydrophobicContact CG2-CE2 4.17Å; I780-F799 HydrophobicContact CD1-CB 4.16Å; I780-F799 HydrophobicContact CD1-CD2 4.34Å; F799-S801 PolarHBondContact O-N 3.03Å; F799-S801 VanDerWaalsContact O-N 3.12Å; F799-L802 HydrophobicContact CE2-CD2 4.08Å; F799-L802 HydrophobicContact CZ-CD2 4.07Å; F799-L802 WeakPolarHBondContact O-CB 3.26Å; F799-L802 PolarHBondContact O-N 3.02Å
800	S	94.1	Very high	92.2	Very high	27 Å²	27	15.6 Å²	15.6	19%	0.189	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.1	178.3	57.6	0	0	0	0	113.9	V634 T639 Q798 L802 A803	V634-S800 WeakPolarHBondContact O-CB 2.92Å; T639-S800 WeakPolarHBondContact OG1-CA 3.49Å; Q798-S800 VanDerWaalsContact C-N 3.32Å; Q798-S800 PolarHBondContact O-N 3.33Å; Q798-S800 PolarHBondContact OE1-OG 3.49Å; S800-L802 PolarHBondContact O-N 3.19Å; S800-L802 VanDerWaalsContact O-N 3.14Å; S800-A803 PolarHBondContact O-N 3.22Å
801	S	95.4	Very high	93	Very high	7 Å²	7	13.3 Å²	13.3	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-63.3	-20.3	177.8	-62.6	0	0	0	0	112.8	I368 Q798 F799 A803 R804 L805	I368-S801 VanDerWaalsContact CG2-CB 3.48Å; I368-S801 WeakPolarHBondContact CG2-OG 2.93Å; Q798-S801 WeakPolarHBondContact O-CB 3.38Å; Q798-S801 PolarHBondContact O-N 3.45Å; F799-S801 PolarHBondContact O-N 3.03Å; F799-S801 VanDerWaalsContact O-N 3.12Å; S801-A803 PolarHBondContact O-N 3.2Å; S801-R804 PolarHBondContact O-N 3.44Å; S801-L805 WeakPolarHBondContact O-CB 3.26Å; S801-L805 PolarHBondContact O-N 3.39Å
802	L	95.7	Very high	93.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.9	-40.1	-179	-175.2	62.6	0	0	0	112.6	L388 T639 L643 I761 I778 I796 F799 S800 R804 L805 L806	L388-L802 HydrophobicContact CD1-CD2 3.96Å; L388-L802 HydrophobicContact CD2-CD2 3.51Å; L388-L802 HydrophobicContact CG-CD2 4.39Å; T639-L802 HydrophobicContact CG2-CB 4.39Å; L643-L802 HydrophobicContact CD1-CD2 3.87Å; L643-L802 HydrophobicContact CD1-CG 4.23Å; I761-L802 HydrophobicContact CD1-CD2 4.12Å; I778-L802 HydrophobicContact CD1-CD1 3.33Å; I796-L802 HydrophobicContact CD1-CB 4.36Å; F799-L802 HydrophobicContact CE2-CD2 4.08Å; F799-L802 HydrophobicContact CZ-CD2 4.07Å; F799-L802 WeakPolarHBondContact O-CB 3.26Å; F799-L802 PolarHBondContact O-N 3.02Å; S800-L802 PolarHBondContact O-N 3.19Å; S800-L802 VanDerWaalsContact O-N 3.14Å; L802-R804 VanDerWaalsContact C-N 3.34Å; L802-R804 PolarHBondContact O-N 2.98Å; L802-L805 PolarHBondContact O-N 2.91Å; L802-L806 HydrophobicContact CD1-CD1 3.87Å; L802-L806 HydrophobicContact CD1-CG 3.96Å; L802-L806 HydrophobicContact CG-CD1 4.02Å; L802-L806 HydrophobicContact CG-CG 4.37Å; L802-L806 WeakPolarHBondContact O-CG 3.49Å; L802-L806 PolarHBondContact O-N 3.41Å
803	A	94.8	Very high	94.1	Very high	7 Å²	7	11.8 Å²	11.8	6%	0.058	6%	0.063	C	C	.	.	H	α-helix	trans	-58.4	-48.4	178.6	0	0	0	0	0	110.6	T639 L642 S800 S801 L806 L807	T639-A803 HydrophobicContact CG2-CB 3.98Å; L642-A803 HydrophobicContact CD1-CB 4.25Å; S800-A803 PolarHBondContact O-N 3.22Å; S801-A803 PolarHBondContact O-N 3.2Å; A803-L806 PolarHBondContact O-N 3.35Å; A803-L807 HydrophobicContact CB-CD1 4.49Å; A803-L807 WeakPolarHBondContact O-CB 3.44Å; A803-L807 WeakPolarHBondContact O-CG 3.49Å; A803-L807 PolarHBondContact O-N 3.43Å
804	R	95.4	Very high	94.4	Very high	19 Å²	19	11.1 Å²	11.1	7%	0.072	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-43.8	177.9	-171.7	-178.7	-177.3	78.8	-4.6	112	D365 E367 I368 S801 L802 L806 W808 H809 E878	D365-R804 IonicContact OD1-CZ 2.61Å; D365-R804 IonicContact OD1-NE 3.13Å; D365-R804 IonicContact OD1-NH2 3.65Å; D365-R804 IonicContact OD2-CZ 3.87Å; D365-R804 IonicContact OD2-NE 3.18Å; D365-R804 PolarHBondContact OD2-NE 3.26Å; D365-R804 IonicContact OD2-NH2 2.74Å; D365-R804 PolarHBondContact OD2-NH2 3.19Å; E367-R804 VanDerWaalsContact CD-NH1 3.34Å; E367-R804 IonicContact OE1-NH1 2.67Å; E367-R804 IonicContact OE2-CZ 3.43Å; E367-R804 IonicContact OE2-NE 3.52Å; E367-R804 IonicContact OE2-NH1 3.37Å; E367-R804 PolarHBondContact OE2-NH1 3.2Å; E367-R804 IonicContact OE2-NH2 3.36Å; I368-R804 HydrophobicContact CG2-CB 4.09Å; I368-R804 HydrophobicContact CG2-CG 4.42Å; S801-R804 PolarHBondContact O-N 3.44Å; L802-R804 VanDerWaalsContact C-N 3.34Å; L802-R804 PolarHBondContact O-N 2.98Å; R804-L806 VanDerWaalsContact C-N 3.29Å; R804-L806 PolarHBondContact O-N 3.49Å; R804-W808 HydrophobicContact CG-CB 4.23Å; R804-W808 WeakPolarHBondContact O-CB 3.32Å; R804-W808 PolarHBondContact O-N 3.35Å; R804-W808 VanDerWaalsContact O-N 3.08Å; R804-H809 PolarHBondContact O-N 2.94Å; R804-E878 IonicContact CZ-OE1 2.84Å; R804-E878 VanDerWaalsContact NH1-CD 3.34Å; R804-E878 IonicContact NH1-OE1 3.72Å; R804-E878 PolarHBondContact NH1-OE1 3.13Å; R804-E878 IonicContact NH2-OE1 2.82Å; R804-E878 PolarHBondContact NH2-OE1 3.33Å; R804-E878 IonicContact NH2-OE2 3.82Å; R804-E878 PolarHBondContact NH2-OE2 3Å
805	L	96.2	Very high	94.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-57.3	-42.8	179.5	-177.8	64.1	0	0	0	111.9	I362 L382 I778 F794 I796 S801 L802 H809 G810	I362-L805 HydrophobicContact CG2-CD1 3.78Å; L382-L805 HydrophobicContact CD1-CD1 3.89Å; L382-L805 HydrophobicContact CD1-CG 4.13Å; L382-L805 HydrophobicContact CD2-CD2 4.44Å; L382-L805 HydrophobicContact CD2-CG 4.33Å; I778-L805 HydrophobicContact CD1-CD2 4.33Å; F794-L805 HydrophobicContact CB-CD2 4.18Å; F794-L805 HydrophobicContact CD1-CD1 4.37Å; F794-L805 HydrophobicContact CG-CD2 4.4Å; I796-L805 HydrophobicContact CG2-CD2 4.07Å; S801-L805 WeakPolarHBondContact O-CB 3.26Å; S801-L805 PolarHBondContact O-N 3.39Å; L802-L805 PolarHBondContact O-N 2.91Å; L805-H809 WeakPolarHBondContact O-CB 3.25Å; L805-G810 PolarHBondContact O-N 3.4Å
806	L	95.5	Very high	94.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-81.1	-56.6	-179.5	-63.7	-176.7	0	0	0	112.5	L382 I385 L643 L802 A803 R804 G810 R811 Y888	L382-L806 HydrophobicContact CB-CD2 4.2Å; L382-L806 HydrophobicContact CD2-CD2 3.71Å; I385-L806 HydrophobicContact CD1-CD2 3.4Å; I385-L806 VanDerWaalsContact CD1-CD2 3.4Å; L643-L806 HydrophobicContact CD2-CB 4.42Å; L643-L806 HydrophobicContact CD2-CD1 3.78Å; L802-L806 HydrophobicContact CD1-CD1 3.87Å; L802-L806 HydrophobicContact CD1-CG 3.96Å; L802-L806 HydrophobicContact CG-CD1 4.02Å; L802-L806 HydrophobicContact CG-CG 4.37Å; L802-L806 WeakPolarHBondContact O-CG 3.49Å; L802-L806 PolarHBondContact O-N 3.41Å; A803-L806 PolarHBondContact O-N 3.35Å; R804-L806 VanDerWaalsContact C-N 3.29Å; R804-L806 PolarHBondContact O-N 3.49Å; L806-G810 VanDerWaalsContact O-CA 3.29Å; L806-G810 WeakPolarHBondContact O-CA 3.48Å; L806-G810 PolarHBondContact O-N 2.68Å; L806-R811 PolarHBondContact O-N 3.36Å; L806-Y888 HydrophobicContact CB-CE2 4.49Å; L806-Y888 WeakPolarHBondContact O-CE2 3.33Å
807	L	95.2	Very high	94.3	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.074	C	C	.	.	I	π-helix	trans	-70.7	-39.5	-169	-58.3	178.8	0	0	0	112.2	L642 A646 A803 R811 V881 L882 P885 Y888	L642-L807 HydrophobicContact CB-CD1 4.36Å; A646-L807 HydrophobicContact CB-CD2 3.49Å; A646-L807 VanDerWaalsContact CB-CD2 3.49Å; A803-L807 HydrophobicContact CB-CD1 4.49Å; A803-L807 WeakPolarHBondContact O-CB 3.44Å; A803-L807 WeakPolarHBondContact O-CG 3.49Å; A803-L807 PolarHBondContact O-N 3.43Å; L807-R811 WeakPolarHBondContact O-CB 3.3Å; L807-V881 HydrophobicContact CB-CG1 4.43Å; L807-V881 VanDerWaalsContact O-CG1 3.27Å; L807-V881 WeakPolarHBondContact O-CG1 3.13Å; L807-L882 HydrophobicContact CB-CD2 4.35Å; L807-L882 HydrophobicContact CD1-CD2 4.4Å; L807-P885 HydrophobicContact CD1-CB 4.12Å; L807-Y888 HydrophobicContact CD2-CD2 3.82Å; L807-Y888 HydrophobicContact CD2-CG 3.91Å
808	W	95.3	Very high	94.4	Very high	11 Å²	11	12.6 Å²	12.6	4%	0.042	6%	0.059	C	C	.	.	I	π-helix	trans	-91.6	-66	-179.3	177.3	-117.9	0	0	0	111.8	R804 R811 L812 E878 V881	R804-W808 HydrophobicContact CG-CB 4.23Å; R804-W808 WeakPolarHBondContact O-CB 3.32Å; R804-W808 PolarHBondContact O-N 3.35Å; R804-W808 VanDerWaalsContact O-N 3.08Å; W808-R811 PolarHBondContact O-N 3.37Å; W808-L812 HydrophobicContact CD2-CD1 3.88Å; W808-L812 HydrophobicContact CD2-CG 4.47Å; W808-L812 HydrophobicContact CE3-CD1 4.27Å; W808-L812 HydrophobicContact CE3-CG 4.48Å; W808-L812 HydrophobicContact CG-CD1 4.47Å; W808-L812 HydrophobicContact CH2-CD1 4.01Å; W808-L812 HydrophobicContact CH2-CD2 4.48Å; W808-L812 HydrophobicContact CZ2-CD1 3.6Å; W808-L812 HydrophobicContact CZ3-CD1 4.31Å; W808-L812 HydrophobicContact CZ3-CD2 4.5Å; W808-L812 WeakPolarHBondContact O-CG 3.48Å; W808-L812 PolarHBondContact O-N 3.05Å; W808-L812 VanDerWaalsContact O-N 3.08Å; W808-E878 HydrophobicContact CD2-CB 4.41Å; W808-E878 HydrophobicContact CD2-CG 4.05Å; W808-E878 HydrophobicContact CE3-CB 4.21Å; W808-E878 HydrophobicContact CE3-CG 4.23Å; W808-E878 HydrophobicContact CH2-CB 3.89Å; W808-E878 HydrophobicContact CZ2-CB 4.07Å; W808-E878 HydrophobicContact CZ2-CG 4.31Å; W808-E878 HydrophobicContact CZ3-CB 3.97Å; W808-E878 HydrophobicContact CZ3-CG 4.47Å; W808-V881 HydrophobicContact CE3-CB 4.26Å; W808-V881 HydrophobicContact CE3-CG1 4.46Å; W808-V881 HydrophobicContact CE3-CG2 4.14Å; W808-V881 HydrophobicContact CZ3-CG2 4.13Å
809	H	95.7	Very high	94.3	Very high	13 Å²	13	10.1 Å²	10.1	6%	0.06	5%	0.052	C	C	.	.	I	π-helix	trans	-66.9	-46.1	-175.2	-72.6	-71.4	0	0	0	112.2	I362 D365 R804 L805 R811 L812 C813	I362-H809 HydrophobicContact CD1-CB 4.23Å; I362-H809 HydrophobicContact CG1-CB 3.87Å; D365-H809 IonicContact OD2-CD2 3.75Å; D365-H809 IonicContact OD2-CE1 2.92Å; D365-H809 PolarHBondContact OD2-CE1 3.13Å; D365-H809 IonicContact OD2-NE2 3.43Å; D365-H809 PolarHBondContact OD2-NE2 3.42Å; R804-H809 PolarHBondContact O-N 2.94Å; L805-H809 WeakPolarHBondContact O-CB 3.25Å; H809-R811 VanDerWaalsContact C-N 3.3Å; H809-R811 PolarHBondContact O-N 2.86Å; H809-L812 PolarHBondContact O-N 3.1Å; H809-L812 VanDerWaalsContact O-N 3.15Å; H809-C813 WeakPolarHBondContact O-CB 3.42Å; H809-C813 PolarHBondContact O-N 2.99Å; H809-C813 PolarHBondContact O-SG 3.31Å
810	G	94.8	Very high	94.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-56.9	-43.1	177.3	0	0	0	0	0	113	L382 G383 L805 L806 Y814	L382-G810 VanDerWaalsContact CB-CA 3.46Å; G383-G810 WeakPolarHBondContact CA-O 3.33Å; G383-G810 PolarHBondContact N-O 3.1Å; L805-G810 PolarHBondContact O-N 3.4Å; L806-G810 VanDerWaalsContact O-CA 3.29Å; L806-G810 WeakPolarHBondContact O-CA 3.48Å; L806-G810 PolarHBondContact O-N 2.68Å; G810-Y814 WeakPolarHBondContact O-CB 3.37Å; G810-Y814 PolarHBondContact O-N 3.03Å; G810-Y814 VanDerWaalsContact O-N 3.1Å
811	R	93.4	Very high	94	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.011	4%	0.043	C	C	.	.	H	α-helix	trans	-57.4	-52.4	173.6	175.7	-179.8	-170.3	91	-2.8	111.8	L806 L807 W808 H809 Y814 R815 D875 L887 L891	L806-R811 PolarHBondContact O-N 3.36Å; L807-R811 WeakPolarHBondContact O-CB 3.3Å; W808-R811 PolarHBondContact O-N 3.37Å; H809-R811 VanDerWaalsContact C-N 3.3Å; H809-R811 PolarHBondContact O-N 2.86Å; R811-Y814 PolarHBondContact O-N 3.11Å; R811-R815 HydrophobicContact CG-CG 4.26Å; R811-R815 WeakPolarHBondContact O-CB 3.29Å; R811-R815 WeakPolarHBondContact O-CG 3.44Å; R811-R815 PolarHBondContact O-N 2.78Å; R811-D875 IonicContact CZ-OD2 2.97Å; R811-D875 IonicContact NE-OD1 3.75Å; R811-D875 PolarHBondContact NE-OD1 3.34Å; R811-D875 IonicContact NE-OD2 2.7Å; R811-D875 PolarHBondContact NE-OD2 3.15Å; R811-D875 IonicContact NH2-OD2 3.9Å; R811-D875 PolarHBondContact NH2-OD2 2.99Å; R811-L887 PolarHBondContact NH1-O 3.04Å; R811-L891 HydrophobicContact CB-CD1 3.73Å; R811-L891 HydrophobicContact CG-CD1 3.87Å; R811-L891 HydrophobicContact CG-CD2 4.24Å
812	L	93.8	Very high	93.8	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-61.6	-50.2	-177	-70.8	176.8	0	0	0	110.8	W808 H809 Y814 R815 R816	W808-L812 HydrophobicContact CD2-CD1 3.88Å; W808-L812 HydrophobicContact CD2-CG 4.47Å; W808-L812 HydrophobicContact CE3-CD1 4.27Å; W808-L812 HydrophobicContact CE3-CG 4.48Å; W808-L812 HydrophobicContact CG-CD1 4.47Å; W808-L812 HydrophobicContact CH2-CD1 4.01Å; W808-L812 HydrophobicContact CH2-CD2 4.48Å; W808-L812 HydrophobicContact CZ2-CD1 3.6Å; W808-L812 HydrophobicContact CZ3-CD1 4.31Å; W808-L812 HydrophobicContact CZ3-CD2 4.5Å; W808-L812 WeakPolarHBondContact O-CG 3.48Å; W808-L812 PolarHBondContact O-N 3.05Å; W808-L812 VanDerWaalsContact O-N 3.08Å; H809-L812 PolarHBondContact O-N 3.1Å; H809-L812 VanDerWaalsContact O-N 3.15Å; L812-Y814 VanDerWaalsContact C-N 3.34Å; L812-Y814 PolarHBondContact O-N 2.83Å; L812-R815 PolarHBondContact O-N 3.4Å; L812-R816 WeakPolarHBondContact O-CB 3.49Å; L812-R816 VanDerWaalsContact O-CD 3.26Å; L812-R816 WeakPolarHBondContact O-CD 3.49Å; L812-R816 WeakPolarHBondContact O-CG 3.45Å; L812-R816 PolarHBondContact O-N 3.26Å
813	C	94.6	Very high	93.5	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.02	5%	0.046	C	C	.	.	H	α-helix	trans	-53.5	-50.8	178.9	-66.3	0	0	0	0	111.5	Y358 P379 H809 S817	Y358-C813 HydrophobicContact CD2-CB 4.15Å; Y358-C813 HydrophobicContact CG-CB 4.44Å; P379-C813 HydrophobicContact CB-CB 4.31Å; P379-C813 VanDerWaalsContact O-CB 3.31Å; P379-C813 WeakPolarHBondContact O-CB 3.28Å; H809-C813 WeakPolarHBondContact O-CB 3.42Å; H809-C813 PolarHBondContact O-N 2.99Å; H809-C813 PolarHBondContact O-SG 3.31Å; C813-S817 VanDerWaalsContact O-CB 3.29Å; C813-S817 WeakPolarHBondContact O-CB 3.5Å; C813-S817 PolarHBondContact O-N 3.49Å; C813-S817 PolarHBondContact O-OG 2.68Å
814	Y	94	Very high	93.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.7	-49.8	179.9	178	-108.5	0	0	0	112.4	F296 R384 G810 R811 L812 R816 S817 C818 L891 G894	F296-Y814 HydrophobicContact CD2-CD2 4.39Å; F296-Y814 HydrophobicContact CD2-CE2 4.23Å; R384-Y814 HydrophobicContact CG-CD2 4.23Å; R384-Y814 HydrophobicContact CG-CE2 4.28Å; R384-Y814 HydrophobicContact CG-CG 4.37Å; G810-Y814 WeakPolarHBondContact O-CB 3.37Å; G810-Y814 PolarHBondContact O-N 3.03Å; G810-Y814 VanDerWaalsContact O-N 3.1Å; R811-Y814 PolarHBondContact O-N 3.11Å; L812-Y814 VanDerWaalsContact C-N 3.34Å; L812-Y814 PolarHBondContact O-N 2.83Å; Y814-R816 PolarHBondContact O-N 3.32Å; Y814-S817 PolarHBondContact O-N 2.95Å; Y814-C818 VanDerWaalsContact CE2-SG 3.59Å; Y814-C818 VanDerWaalsContact CZ-SG 3.53Å; Y814-C818 PolarHBondContact O-N 3.17Å; Y814-C818 PolarHBondContact O-SG 2.7Å; Y814-L891 HydrophobicContact CD1-CB 4.13Å; Y814-L891 HydrophobicContact CD1-CD2 4.02Å; Y814-L891 HydrophobicContact CE1-CB 4.33Å; Y814-L891 HydrophobicContact CE1-CD2 4.48Å; Y814-G894 WeakPolarHBondContact OH-CA 3.42Å
815	R	91.8	Very high	93.1	Very high	65 Å²	65	8.8 Å²	8.8	25%	0.245	4%	0.042	C	C	.	.	H	α-helix	trans	-61.9	-45.5	-178.1	-76.5	-73	179.7	170	0.1	112.1	R811 L812 C818 S819 L891 S896	R811-R815 HydrophobicContact CG-CG 4.26Å; R811-R815 WeakPolarHBondContact O-CB 3.29Å; R811-R815 WeakPolarHBondContact O-CG 3.44Å; R811-R815 PolarHBondContact O-N 2.78Å; L812-R815 PolarHBondContact O-N 3.4Å; R815-C818 PolarHBondContact O-N 3.1Å; R815-S819 PolarHBondContact O-N 3.3Å; R815-S819 PolarHBondContact O-OG 3.4Å; R815-L891 HydrophobicContact CG-CD2 3.85Å; R815-S896 PolarHBondContact NH1-OG 3Å; R815-S896 VanDerWaalsContact NH1-OG 3.15Å
816	R	93.2	Very high	92.9	Very high	16 Å²	16	8.8 Å²	8.8	6%	0.06	4%	0.042	C	C	.	.	H	α-helix	trans	-65.6	-44.4	179.6	-66.8	164.8	170.6	-177.4	-1.2	111.4	Y358 L812 Y814 C818 S819 L820 V871 M872 D873	Y358-R816 HydrophobicContact CE1-CB 4.11Å; Y358-R816 WeakPolarHBondContact OH-CB 3.44Å; L812-R816 WeakPolarHBondContact O-CB 3.49Å; L812-R816 VanDerWaalsContact O-CD 3.26Å; L812-R816 WeakPolarHBondContact O-CD 3.49Å; L812-R816 WeakPolarHBondContact O-CG 3.45Å; L812-R816 PolarHBondContact O-N 3.26Å; Y814-R816 PolarHBondContact O-N 3.32Å; R816-C818 VanDerWaalsContact C-N 3.35Å; R816-C818 PolarHBondContact O-N 3.45Å; R816-S819 PolarHBondContact O-N 3.04Å; R816-L820 VanDerWaalsContact O-CB 3.26Å; R816-L820 WeakPolarHBondContact O-CB 3.45Å; R816-L820 PolarHBondContact O-N 3.04Å; R816-V871 WeakPolarHBondContact CD-O 3.49Å; R816-V871 VanDerWaalsContact CZ-O 3.28Å; R816-V871 PolarHBondContact NE-O 2.93Å; R816-V871 PolarHBondContact NH1-O 3.17Å; R816-V871 VanDerWaalsContact NH1-O 3.1Å; R816-M872 PolarHBondContact NH2-O 2.86Å; R816-D873 PolarHBondContact NE-O 3.39Å; R816-D873 PolarHBondContact NH2-O 3.36Å
817	S	94	Very high	92.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.6	-37.5	175.4	-74	0	0	0	0	112.7	Y358 E380 C813 Y814 S821	Y358-S817 WeakPolarHBondContact CE2-OG 3.36Å; Y358-S817 PolarHBondContact OH-N 3.07Å; E380-S817 WeakPolarHBondContact CG-OG 3.48Å; E380-S817 PolarHBondContact OE1-OG 3.31Å; C813-S817 VanDerWaalsContact O-CB 3.29Å; C813-S817 WeakPolarHBondContact O-CB 3.5Å; C813-S817 PolarHBondContact O-N 3.49Å; C813-S817 PolarHBondContact O-OG 2.68Å; Y814-S817 PolarHBondContact O-N 2.95Å; S817-S821 VanDerWaalsContact O-CB 3.24Å; S817-S821 WeakPolarHBondContact O-CB 3.38Å; S817-S821 PolarHBondContact O-N 3Å
818	C	92	Very high	92.4	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.014	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-50.4	172.9	-71.5	0	0	0	0	112.1	Y814 R815 R816 S821 Q822 S896 L897	Y814-C818 VanDerWaalsContact CE2-SG 3.59Å; Y814-C818 VanDerWaalsContact CZ-SG 3.53Å; Y814-C818 PolarHBondContact O-N 3.17Å; Y814-C818 PolarHBondContact O-SG 2.7Å; R815-C818 PolarHBondContact O-N 3.1Å; R816-C818 VanDerWaalsContact C-N 3.35Å; R816-C818 PolarHBondContact O-N 3.45Å; C818-S821 PolarHBondContact O-N 2.98Å; C818-Q822 WeakPolarHBondContact O-CG 3.42Å; C818-Q822 PolarHBondContact O-N 2.82Å; C818-S896 VanDerWaalsContact SG-CB 3.59Å; C818-L897 HydrophobicContact CB-CD1 4.44Å
819	S	89.9	Confident	92.2	Very high	34 Å²	34	8.9 Å²	8.9	24%	0.238	4%	0.044	C	C	.	.	H	α-helix	trans	-61.9	-46.1	179.3	-63.4	0	0	0	0	111.4	R815 R816 S821 Q822 F823	R815-S819 PolarHBondContact O-N 3.3Å; R815-S819 PolarHBondContact O-OG 3.4Å; R816-S819 PolarHBondContact O-N 3.04Å; S819-S821 PolarHBondContact O-N 3.33Å; S819-Q822 PolarHBondContact O-N 3.33Å; S819-F823 WeakPolarHBondContact O-CD2 3.41Å; S819-F823 PolarHBondContact O-N 3.47Å
820	L	92.2	Very high	92.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-58.6	-46.8	177.1	179.3	60.9	0	0	0	111.7	N350 L351 A354 R816 Q822 F823 V824 V867 V871	N350-L820 HydrophobicContact CB-CD1 4.32Å; N350-L820 HydrophobicContact CB-CD2 4.21Å; N350-L820 HydrophobicContact CB-CG 4.4Å; L351-L820 HydrophobicContact CD2-CD2 4.23Å; A354-L820 HydrophobicContact CB-CD2 3.71Å; R816-L820 VanDerWaalsContact O-CB 3.26Å; R816-L820 WeakPolarHBondContact O-CB 3.45Å; R816-L820 PolarHBondContact O-N 3.04Å; L820-Q822 PolarHBondContact O-N 3.37Å; L820-F823 PolarHBondContact O-N 2.98Å; L820-V824 HydrophobicContact CD1-CG2 4.1Å; L820-V824 VanDerWaalsContact O-CG2 3.27Å; L820-V824 WeakPolarHBondContact O-CG2 3.38Å; L820-V824 PolarHBondContact O-N 3.42Å; L820-V867 HydrophobicContact CD1-CG1 3.58Å; L820-V867 WeakPolarHBondContact CD1-O 3.48Å; L820-V871 HydrophobicContact CD2-CG2 3.95Å
821	S	91.9	Very high	92	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.5	-44.7	178.7	-177.1	0	0	0	0	112	S817 C818 S819 V824 I825	S817-S821 VanDerWaalsContact O-CB 3.24Å; S817-S821 WeakPolarHBondContact O-CB 3.38Å; S817-S821 PolarHBondContact O-N 3Å; C818-S821 PolarHBondContact O-N 2.98Å; S819-S821 PolarHBondContact O-N 3.33Å; S821-V824 PolarHBondContact O-N 3.48Å; S821-I825 WeakPolarHBondContact O-CB 3.29Å; S821-I825 VanDerWaalsContact O-CG1 3.25Å; S821-I825 WeakPolarHBondContact O-CG1 3.3Å; S821-I825 PolarHBondContact O-N 3.14Å
822	Q	90.3	Very high	91.9	Very high	25 Å²	25	8.9 Å²	8.9	12%	0.117	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-45.2	178	-74.9	175.1	-7.8	0	0	112.3	C818 S819 L820 I825 H826 S896 T901 W905	C818-Q822 WeakPolarHBondContact O-CG 3.42Å; C818-Q822 PolarHBondContact O-N 2.82Å; S819-Q822 PolarHBondContact O-N 3.33Å; L820-Q822 PolarHBondContact O-N 3.37Å; Q822-I825 PolarHBondContact O-N 3.18Å; Q822-H826 VanDerWaalsContact O-CB 3.28Å; Q822-H826 WeakPolarHBondContact O-CB 3.49Å; Q822-H826 PolarHBondContact O-N 2.67Å; Q822-S896 PolarHBondContact NE2-O 2.94Å; Q822-T901 VanDerWaalsContact NE2-CG2 3.26Å; Q822-W905 HydrophobicContact CB-CD2 4.46Å; Q822-W905 HydrophobicContact CB-CG 4.4Å
823	F	89.5	Confident	91.9	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	5%	0.049	C	C	.	.	H	α-helix	trans	-63.7	-44	177.4	-96.7	-72.5	0	0	0	112.9	S819 L820 I825 H826 R827 V867 L870 W905 M946 V947 T950	S819-F823 WeakPolarHBondContact O-CD2 3.41Å; S819-F823 PolarHBondContact O-N 3.47Å; L820-F823 PolarHBondContact O-N 2.98Å; F823-I825 VanDerWaalsContact C-N 3.29Å; F823-I825 PolarHBondContact O-N 2.97Å; F823-H826 WeakPolarHBondContact O-CB 3.41Å; F823-H826 PolarHBondContact O-N 3.34Å; F823-R827 WeakPolarHBondContact O-CB 3.3Å; F823-R827 PolarHBondContact O-N 3.06Å; F823-V867 HydrophobicContact CB-CG1 4.47Å; F823-L870 HydrophobicContact CB-CD1 4.22Å; F823-L870 HydrophobicContact CD2-CD1 3.45Å; F823-L870 VanDerWaalsContact CD2-CD1 3.45Å; F823-L870 HydrophobicContact CE2-CD1 3.98Å; F823-L870 HydrophobicContact CG-CD1 3.97Å; F823-W905 HydrophobicContact CD2-CH2 4.5Å; F823-W905 HydrophobicContact CE1-CH2 4.16Å; F823-W905 HydrophobicContact CE1-CZ3 4.4Å; F823-W905 HydrophobicContact CE2-CH2 4.05Å; F823-W905 AromaticContact CZ-CH2 3.86Å; F823-W905 HydrophobicContact CZ-CH2 3.86Å; F823-M946 HydrophobicContact CE1-CB 4.24Å; F823-M946 WeakPolarHBondContact CZ-O 3.42Å; F823-V947 HydrophobicContact CD1-CG2 4.01Å; F823-V947 HydrophobicContact CE1-CG2 3.81Å; F823-V947 HydrophobicContact CZ-CG2 4.35Å; F823-T950 HydrophobicContact CE2-CG2 3.48Å; F823-T950 VanDerWaalsContact CE2-CG2 3.48Å; F823-T950 VanDerWaalsContact CZ-CB 3.43Å; F823-T950 HydrophobicContact CZ-CG2 3.83Å; F823-T950 WeakPolarHBondContact CZ-OG1 3.34Å
824	V	90.8	Very high	91.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.8	-34.5	179.9	175.9	0	0	0	0	111.3	P344 L347 N350 L820 S821 G828 V867	P344-V824 HydrophobicContact CB-CG1 3.59Å; P344-V824 WeakPolarHBondContact CB-O 3.49Å; P344-V824 HydrophobicContact CG-CG1 3.77Å; P344-V824 WeakPolarHBondContact CG-O 3.32Å; L347-V824 HydrophobicContact CB-CG1 3.83Å; L347-V824 HydrophobicContact CD1-CB 3.98Å; L347-V824 HydrophobicContact CD1-CG1 4.02Å; N350-V824 HydrophobicContact CB-CG2 4.38Å; L820-V824 HydrophobicContact CD1-CG2 4.1Å; L820-V824 VanDerWaalsContact O-CG2 3.27Å; L820-V824 WeakPolarHBondContact O-CG2 3.38Å; L820-V824 PolarHBondContact O-N 3.42Å; S821-V824 PolarHBondContact O-N 3.48Å; V824-G828 PolarHBondContact O-N 2.93Å; V824-V867 HydrophobicContact CG2-CG1 3.72Å
825	I	90.7	Very high	91.8	Very high	6 Å²	6	10.2 Å²	10.2	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-68.4	-45.9	172.8	-70.6	168.7	0	0	0	111.4	L307 P344 L347 S821 Q822 F823 R827 G828 L829 F902	L307-I825 HydrophobicContact CD1-CD1 4.47Å; L307-I825 HydrophobicContact CD1-CG1 4.38Å; L307-I825 HydrophobicContact CD1-CG2 4.03Å; P344-I825 HydrophobicContact CG-CG1 4.22Å; L347-I825 HydrophobicContact CD2-CD1 4.41Å; L347-I825 HydrophobicContact CD2-CG1 4.22Å; S821-I825 WeakPolarHBondContact O-CB 3.29Å; S821-I825 VanDerWaalsContact O-CG1 3.25Å; S821-I825 WeakPolarHBondContact O-CG1 3.3Å; S821-I825 PolarHBondContact O-N 3.14Å; Q822-I825 PolarHBondContact O-N 3.18Å; F823-I825 VanDerWaalsContact C-N 3.29Å; F823-I825 PolarHBondContact O-N 2.97Å; I825-R827 VanDerWaalsContact C-N 3.26Å; I825-R827 PolarHBondContact O-N 3.17Å; I825-G828 PolarHBondContact O-N 2.89Å; I825-G828 VanDerWaalsContact O-N 3.13Å; I825-L829 HydrophobicContact CG2-CD1 3.68Å; I825-L829 HydrophobicContact CG2-CG 4.27Å; I825-L829 WeakPolarHBondContact O-CG 3.32Å; I825-L829 PolarHBondContact O-N 2.83Å; I825-F902 HydrophobicContact CG2-CD2 4.5Å; I825-F902 HydrophobicContact CG2-CE2 3.97Å
826	H	91.4	Very high	91.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-52.6	-46.5	176.5	174.3	57.8	0	0	0	111.7	Q822 F823 G828 L829 I830 W905 S909 Q912 E943	Q822-H826 VanDerWaalsContact O-CB 3.28Å; Q822-H826 WeakPolarHBondContact O-CB 3.49Å; Q822-H826 PolarHBondContact O-N 2.67Å; F823-H826 WeakPolarHBondContact O-CB 3.41Å; F823-H826 PolarHBondContact O-N 3.34Å; H826-G828 VanDerWaalsContact C-N 3.34Å; H826-G828 PolarHBondContact O-N 3.08Å; H826-L829 PolarHBondContact O-N 2.97Å; H826-L829 VanDerWaalsContact O-N 3.13Å; H826-I830 WeakPolarHBondContact CE1-CD1 3.38Å; H826-I830 VanDerWaalsContact NE2-CD1 3.26Å; H826-I830 WeakPolarHBondContact NE2-CD1 3.32Å; H826-I830 PolarHBondContact O-N 3.11Å; H826-W905 HydrophobicContact CB-CE3 4.06Å; H826-W905 HydrophobicContact CB-CZ3 4.41Å; H826-W905 AromaticContact CG-CE3 3.92Å; H826-S909 PolarHBondContact ND1-OG 3.07Å; H826-Q912 PolarHBondContact CE1-OE1 3.24Å; H826-Q912 PolarHBondContact NE2-OE1 2.77Å; H826-Q912 VanDerWaalsContact NE2-OE1 3.12Å; H826-E943 IonicContact CD2-OE1 2.68Å; H826-E943 IonicContact CD2-OE2 3.85Å
827	R	90.3	Very high	91.8	Very high	5 Å²	5	8.4 Å²	8.4	2%	0.019	5%	0.051	C	C	.	.	H	α-helix	trans	-56.2	-43.5	177.2	-177.1	174	73.4	171.8	8.2	113.9	S346 F823 I825 Y858 S859 T863 E943	S346-R827 PolarHBondContact OG-NH2 3.4Å; F823-R827 WeakPolarHBondContact O-CB 3.3Å; F823-R827 PolarHBondContact O-N 3.06Å; I825-R827 VanDerWaalsContact C-N 3.26Å; I825-R827 PolarHBondContact O-N 3.17Å; R827-Y858 HydrophobicContact CG-CD1 4.19Å; R827-Y858 HydrophobicContact CG-CE1 3.2Å; R827-Y858 WeakPolarHBondContact CG-OH 3.4Å; R827-S859 PolarHBondContact NH1-O 3.45Å; R827-S859 PolarHBondContact NH2-O 2.96Å; R827-T863 VanDerWaalsContact CD-OG1 3.3Å; R827-T863 WeakPolarHBondContact CD-OG1 3.17Å; R827-T863 PolarHBondContact NH1-OG1 3.17Å; R827-E943 WeakPolarHBondContact CA-OE1 3.47Å
828	G	90.2	Very high	91.7	Very high	6 Å²	6	9.5 Å²	9.5	6%	0.062	6%	0.056	C	C	.	.	H	α-helix	trans	-71.2	-37.2	177.2	0	0	0	0	0	112.6	Y341 V824 I825 H826 S832	Y341-G828 CarbonylContact O-C 3.59Å; Y341-G828 VanDerWaalsContact O-CA 3.23Å; Y341-G828 WeakPolarHBondContact O-CA 3.45Å; V824-G828 PolarHBondContact O-N 2.93Å; I825-G828 PolarHBondContact O-N 2.89Å; I825-G828 VanDerWaalsContact O-N 3.13Å; H826-G828 VanDerWaalsContact C-N 3.34Å; H826-G828 PolarHBondContact O-N 3.08Å; G828-S832 PolarHBondContact O-N 3.4Å; G828-S832 VanDerWaalsContact O-N 3.15Å
829	L	92.4	Very high	91.6	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-67.3	-45.2	179.7	-76.4	169.9	0	0	0	112.9	L307 V342 I825 H826 I831 S832 T833 F906 S909	L307-L829 HydrophobicContact CD2-CD1 4.46Å; L307-L829 HydrophobicContact CD2-CD2 3.93Å; L307-L829 HydrophobicContact CD2-CG 4.42Å; V342-L829 HydrophobicContact CG1-CD2 3.84Å; I825-L829 HydrophobicContact CG2-CD1 3.68Å; I825-L829 HydrophobicContact CG2-CG 4.27Å; I825-L829 WeakPolarHBondContact O-CG 3.32Å; I825-L829 PolarHBondContact O-N 2.83Å; H826-L829 PolarHBondContact O-N 2.97Å; H826-L829 VanDerWaalsContact O-N 3.13Å; L829-I831 VanDerWaalsContact C-N 3.31Å; L829-I831 PolarHBondContact O-N 3.31Å; L829-S832 PolarHBondContact O-N 2.84Å; L829-S832 VanDerWaalsContact O-N 3.15Å; L829-T833 PolarHBondContact O-N 3.03Å; L829-T833 PolarHBondContact O-OG1 3.18Å; L829-F906 HydrophobicContact CD1-CB 4.39Å; L829-F906 HydrophobicContact CD1-CD2 3.83Å; L829-F906 HydrophobicContact CD2-CD2 3.68Å; L829-F906 HydrophobicContact CD2-CE2 3.75Å; L829-F906 HydrophobicContact CG-CD2 4.4Å; L829-S909 VanDerWaalsContact CB-CB 3.46Å
830	I	93.3	Very high	91.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56	-49.5	178.9	-71.4	166.5	0	0	0	110.4	H826 S832 T833 M834 Q912 L939 E943	H826-I830 WeakPolarHBondContact CE1-CD1 3.38Å; H826-I830 VanDerWaalsContact NE2-CD1 3.26Å; H826-I830 WeakPolarHBondContact NE2-CD1 3.32Å; H826-I830 PolarHBondContact O-N 3.11Å; I830-S832 VanDerWaalsContact C-N 3.32Å; I830-S832 PolarHBondContact O-N 3.35Å; I830-T833 PolarHBondContact O-N 3.43Å; I830-T833 VanDerWaalsContact O-N 3.16Å; I830-M834 HydrophobicContact CG2-CG 4.34Å; I830-M834 HydrophobicContact CG2-SD 4.03Å; I830-M834 VanDerWaalsContact O-CG 3.32Å; I830-M834 WeakPolarHBondContact O-CG 3.42Å; I830-M834 PolarHBondContact O-N 3.28Å; I830-Q912 HydrophobicContact CD1-CB 4.37Å; I830-Q912 HydrophobicContact CG1-CB 4.41Å; I830-L939 HydrophobicContact CB-CD1 4.25Å; I830-L939 HydrophobicContact CG2-CD1 3.33Å; I830-E943 WeakPolarHBondContact CD1-OE1 3.26Å
831	I	91.7	Very high	91.5	Very high	11 Å²	11	13.6 Å²	13.6	6%	0.056	8%	0.078	C	C	.	.	H	α-helix	trans	-57.7	-46.6	178.2	-74.8	-176.1	0	0	0	111.2	L829 T833 M834 Q835 M855 Y858 L939	L829-I831 VanDerWaalsContact C-N 3.31Å; L829-I831 PolarHBondContact O-N 3.31Å; I831-T833 VanDerWaalsContact C-N 3.29Å; I831-T833 PolarHBondContact O-N 2.99Å; I831-M834 PolarHBondContact O-N 3.41Å; I831-Q835 WeakPolarHBondContact O-CB 3.24Å; I831-Q835 PolarHBondContact O-N 3.16Å; I831-M855 HydrophobicContact CD1-CE 3.89Å; I831-M855 HydrophobicContact CD1-SD 4Å; I831-M855 HydrophobicContact CG2-CE 3.29Å; I831-M855 HydrophobicContact CG2-SD 4.01Å; I831-Y858 HydrophobicContact CD1-CD1 3.36Å; I831-Y858 HydrophobicContact CD1-CE1 3.19Å; I831-Y858 HydrophobicContact CD1-CG 4.28Å; I831-Y858 HydrophobicContact CG1-CE1 4Å; I831-L939 HydrophobicContact CD1-CD2 4.27Å; I831-L939 HydrophobicContact CG1-CD2 3.82Å
832	S	91.9	Very high	91.3	Very high	5 Å²	5	17 Å²	17	4%	0.035	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-35.6	180	-174.2	0	0	0	0	112.2	F339 V342 G828 L829 I830 Q835 A836	F339-S832 WeakPolarHBondContact CD1-OG 3.27Å; V342-S832 WeakPolarHBondContact CG2-OG 3.4Å; G828-S832 PolarHBondContact O-N 3.4Å; G828-S832 VanDerWaalsContact O-N 3.15Å; L829-S832 PolarHBondContact O-N 2.84Å; L829-S832 VanDerWaalsContact O-N 3.15Å; I830-S832 VanDerWaalsContact C-N 3.32Å; I830-S832 PolarHBondContact O-N 3.35Å; S832-Q835 PolarHBondContact O-N 3.48Å; S832-A836 WeakPolarHBondContact O-CB 3.23Å; S832-A836 PolarHBondContact O-N 3.27Å
833	T	93.4	Very high	91.2	Very high	19 Å²	19	25.8 Å²	25.8	12%	0.117	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-44.7	174.8	-58.7	0	0	0	0	110.8	L829 I830 I831 Q835 A836 V837 M910 A914	L829-T833 PolarHBondContact O-N 3.03Å; L829-T833 PolarHBondContact O-OG1 3.18Å; I830-T833 PolarHBondContact O-N 3.43Å; I830-T833 VanDerWaalsContact O-N 3.16Å; I831-T833 VanDerWaalsContact C-N 3.29Å; I831-T833 PolarHBondContact O-N 2.99Å; T833-Q835 VanDerWaalsContact C-N 3.31Å; T833-Q835 PolarHBondContact O-N 2.91Å; T833-A836 PolarHBondContact O-N 2.93Å; T833-V837 HydrophobicContact CG2-CG2 4.41Å; T833-V837 WeakPolarHBondContact O-CG2 3.41Å; T833-V837 PolarHBondContact O-N 3.04Å; T833-M910 HydrophobicContact CG2-CG 4.11Å; T833-A914 HydrophobicContact CG2-CB 4.46Å
834	M	93.2	Very high	91.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.1	-45.4	175.1	-65.8	177.7	73	0	0	111.4	I830 I831 A836 V837 F838 L849 Y850 G913 I916 M917 L939	I830-M834 HydrophobicContact CG2-CG 4.34Å; I830-M834 HydrophobicContact CG2-SD 4.03Å; I830-M834 VanDerWaalsContact O-CG 3.32Å; I830-M834 WeakPolarHBondContact O-CG 3.42Å; I830-M834 PolarHBondContact O-N 3.28Å; I831-M834 PolarHBondContact O-N 3.41Å; M834-A836 PolarHBondContact O-N 2.84Å; M834-V837 PolarHBondContact O-N 2.84Å; M834-F838 WeakPolarHBondContact O-CB 3.45Å; M834-F838 PolarHBondContact O-N 3Å; M834-L849 HydrophobicContact CB-CD2 4.06Å; M834-L849 HydrophobicContact CE-CD2 4.39Å; M834-Y850 HydrophobicContact CE-CE2 4.42Å; M834-Y850 WeakPolarHBondContact CE-OH 3.37Å; M834-G913 WeakPolarHBondContact CG-O 3.25Å; M834-I916 HydrophobicContact CE-CB 4.22Å; M834-I916 HydrophobicContact CE-CG2 3.38Å; M834-I916 HydrophobicContact SD-CG2 4.12Å; M834-M917 HydrophobicContact CB-CB 4.33Å; M834-M917 HydrophobicContact CG-CB 4.35Å; M834-L939 HydrophobicContact SD-CB 4.48Å; M834-L939 HydrophobicContact SD-CD1 4.08Å; M834-L939 HydrophobicContact SD-CD2 4.2Å; M834-L939 HydrophobicContact SD-CG 4.5Å
835	Q	93.1	Very high	91	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-41	176.5	-179.7	61.8	59.2	0	0	112.2	L338 F339 I831 S832 T833 S839 V847	L338-Q835 HydrophobicContact CB-CG 4.26Å; F339-Q835 HydrophobicContact CE1-CG 4.2Å; I831-Q835 WeakPolarHBondContact O-CB 3.24Å; I831-Q835 PolarHBondContact O-N 3.16Å; S832-Q835 PolarHBondContact O-N 3.48Å; T833-Q835 VanDerWaalsContact C-N 3.31Å; T833-Q835 PolarHBondContact O-N 2.91Å; Q835-S839 PolarHBondContact NE2-OG 3.43Å; Q835-S839 WeakPolarHBondContact O-CB 3.41Å; Q835-S839 PolarHBondContact O-N 3.33Å; Q835-S839 PolarHBondContact O-OG 3.34Å; Q835-V847 PolarHBondContact NE2-O 3.16Å
836	A	93	Very high	90.8	Very high	12 Å²	12	30.4 Å²	30.4	10%	0.099	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-46.1	178.2	0	0	0	0	0	111.7	L314 M318 F339 S832 T833 M834 S839 C840	L314-A836 HydrophobicContact CD2-CB 4.3Å; M318-A836 HydrophobicContact CE-CB 3.86Å; F339-A836 HydrophobicContact CE1-CB 3.77Å; F339-A836 HydrophobicContact CZ-CB 4.11Å; S832-A836 WeakPolarHBondContact O-CB 3.23Å; S832-A836 PolarHBondContact O-N 3.27Å; T833-A836 PolarHBondContact O-N 2.93Å; M834-A836 PolarHBondContact O-N 2.84Å; A836-S839 PolarHBondContact O-N 3.13Å; A836-C840 PolarHBondContact O-N 3.37Å; A836-C840 PolarHBondContact O-SG 3.32Å; A836-C840 VanDerWaalsContact O-SG 3.32Å
837	V	92.5	Very high	90.7	Very high	32 Å²	32	34.4 Å²	34.4	19%	0.194	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-44.4	177.1	173.7	0	0	0	0	110.7	T833 M834 S839 C840 I841 M917	T833-V837 HydrophobicContact CG2-CG2 4.41Å; T833-V837 WeakPolarHBondContact O-CG2 3.41Å; T833-V837 PolarHBondContact O-N 3.04Å; M834-V837 PolarHBondContact O-N 2.84Å; V837-S839 PolarHBondContact O-N 2.64Å; V837-C840 PolarHBondContact O-N 2.95Å; V837-I841 HydrophobicContact CG1-CD1 3.87Å; V837-I841 WeakPolarHBondContact O-CG1 3.27Å; V837-I841 PolarHBondContact O-N 3.4Å; V837-I841 VanDerWaalsContact O-N 3.13Å; V837-M917 HydrophobicContact CB-CB 4.15Å; V837-M917 HydrophobicContact CB-CG 3.93Å; V837-M917 HydrophobicContact CG1-CB 3.98Å; V837-M917 HydrophobicContact CG1-CG 3.71Å
838	F	91.4	Very high	90.6	Very high	22 Å²	22	36.3 Å²	36.3	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-49.7	174.4	178	-102.5	0	0	0	111.3	M834 C840 I841 F842 L849 M917 F928	M834-F838 WeakPolarHBondContact O-CB 3.45Å; M834-F838 PolarHBondContact O-N 3Å; F838-C840 VanDerWaalsContact C-N 3.32Å; F838-C840 PolarHBondContact O-N 3.49Å; F838-I841 PolarHBondContact O-N 3.3Å; F838-I841 VanDerWaalsContact O-N 3.17Å; F838-F842 HydrophobicContact CD1-CD2 4.28Å; F838-F842 AromaticContact CD2-CD2 3.42Å; F838-F842 HydrophobicContact CD2-CD2 3.42Å; F838-F842 VanDerWaalsContact CD2-CD2 3.42Å; F838-F842 AromaticContact CD2-CE2 3.44Å; F838-F842 HydrophobicContact CD2-CE2 3.44Å; F838-F842 VanDerWaalsContact CD2-CE2 3.44Å; F838-F842 HydrophobicContact CE1-CD2 4.09Å; F838-F842 AromaticContact CE2-CD2 3.22Å; F838-F842 HydrophobicContact CE2-CD2 3.22Å; F838-F842 AromaticContact CE2-CE2 3.12Å; F838-F842 HydrophobicContact CE2-CE2 3.12Å; F838-F842 HydrophobicContact CE2-CG 4.22Å; F838-F842 HydrophobicContact CE2-CZ 4.04Å; F838-F842 AromaticContact CG-CD2 3.97Å; F838-F842 HydrophobicContact CG-CD2 3.97Å; F838-F842 HydrophobicContact CG-CE2 4.41Å; F838-F842 AromaticContact CZ-CD2 3.57Å; F838-F842 HydrophobicContact CZ-CD2 3.57Å; F838-F842 AromaticContact CZ-CE2 3.86Å; F838-F842 HydrophobicContact CZ-CE2 3.86Å; F838-F842 HydrophobicContact CZ-CG 4.18Å; F838-F842 VanDerWaalsContact O-CD2 3.31Å; F838-F842 WeakPolarHBondContact O-CD2 3.12Å; F838-F842 PolarHBondContact O-N 2.96Å; F838-L849 HydrophobicContact CB-CD1 4.35Å; F838-L849 HydrophobicContact CD1-CB 4.14Å; F838-L849 HydrophobicContact CD1-CD1 4.36Å; F838-L849 HydrophobicContact CD2-CD1 3.63Å; F838-L849 HydrophobicContact CE2-CD1 3.9Å; F838-L849 HydrophobicContact CG-CB 4.3Å; F838-L849 HydrophobicContact CG-CD1 3.87Å; F838-L849 HydrophobicContact CZ-CD1 4.4Å; F838-M917 HydrophobicContact CB-CE 4.07Å; F838-M917 HydrophobicContact CB-CG 4.49Å; F838-M917 HydrophobicContact CB-SD 4.19Å; F838-M917 HydrophobicContact CD2-CE 3.69Å; F838-M917 HydrophobicContact CG-CE 4.35Å; F838-F928 HydrophobicContact CE2-CZ 4.42Å
839	S	91.4	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-38.1	177.9	-74.2	0	0	0	0	113	Q835 A836 V837 F844 A845	Q835-S839 PolarHBondContact NE2-OG 3.43Å; Q835-S839 WeakPolarHBondContact O-CB 3.41Å; Q835-S839 PolarHBondContact O-N 3.33Å; Q835-S839 PolarHBondContact O-OG 3.34Å; A836-S839 PolarHBondContact O-N 3.13Å; V837-S839 PolarHBondContact O-N 2.64Å; S839-F844 WeakPolarHBondContact O-CA 3.48Å; S839-F844 PolarHBondContact O-N 3Å; S839-A845 PolarHBondContact OG-O 3.19Å
840	C	91.1	Very high	90.3	Very high	54 Å²	54	36.7 Å²	36.7	37%	0.365	19%	0.194	S	C	.	.	H	α-helix	trans	-61.8	-42.2	175.1	-72.3	0	0	0	0	112.5	M318 A836 V837 F838 F844	M318-C840 VanDerWaalsContact CE-SG 3.6Å; A836-C840 PolarHBondContact O-N 3.37Å; A836-C840 PolarHBondContact O-SG 3.32Å; A836-C840 VanDerWaalsContact O-SG 3.32Å; V837-C840 PolarHBondContact O-N 2.95Å; F838-C840 VanDerWaalsContact C-N 3.32Å; F838-C840 PolarHBondContact O-N 3.49Å; C840-F844 HydrophobicContact CB-CE1 4.27Å
841	I	87.7	Confident	89.9	Confident	68 Å²	68	39.6 Å²	39.6	35%	0.349	21%	0.213	S	C	.	.	H	α-helix	trans	-73	-37.9	-176.8	-66	169.1	0	0	0	110.9	V837 F838 Y843 I921	V837-I841 HydrophobicContact CG1-CD1 3.87Å; V837-I841 WeakPolarHBondContact O-CG1 3.27Å; V837-I841 PolarHBondContact O-N 3.4Å; V837-I841 VanDerWaalsContact O-N 3.13Å; F838-I841 PolarHBondContact O-N 3.3Å; F838-I841 VanDerWaalsContact O-N 3.17Å; I841-Y843 PolarHBondContact O-N 2.95Å; I841-I921 HydrophobicContact CD1-CD1 3.3Å; I841-I921 HydrophobicContact CG1-CD1 4.47Å; I841-I921 HydrophobicContact CG2-CD1 4.23Å
842	F	87.5	Confident	89.5	Confident	72 Å²	72	39.7 Å²	39.7	32%	0.316	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	46	176.1	-73.3	-80	0	0	0	112.9	F838 F844 A845 F928	F838-F842 HydrophobicContact CD1-CD2 4.28Å; F838-F842 AromaticContact CD2-CD2 3.42Å; F838-F842 HydrophobicContact CD2-CD2 3.42Å; F838-F842 VanDerWaalsContact CD2-CD2 3.42Å; F838-F842 AromaticContact CD2-CE2 3.44Å; F838-F842 HydrophobicContact CD2-CE2 3.44Å; F838-F842 VanDerWaalsContact CD2-CE2 3.44Å; F838-F842 HydrophobicContact CE1-CD2 4.09Å; F838-F842 AromaticContact CE2-CD2 3.22Å; F838-F842 HydrophobicContact CE2-CD2 3.22Å; F838-F842 AromaticContact CE2-CE2 3.12Å; F838-F842 HydrophobicContact CE2-CE2 3.12Å; F838-F842 HydrophobicContact CE2-CG 4.22Å; F838-F842 HydrophobicContact CE2-CZ 4.04Å; F838-F842 AromaticContact CG-CD2 3.97Å; F838-F842 HydrophobicContact CG-CD2 3.97Å; F838-F842 HydrophobicContact CG-CE2 4.41Å; F838-F842 AromaticContact CZ-CD2 3.57Å; F838-F842 HydrophobicContact CZ-CD2 3.57Å; F838-F842 AromaticContact CZ-CE2 3.86Å; F838-F842 HydrophobicContact CZ-CE2 3.86Å; F838-F842 HydrophobicContact CZ-CG 4.18Å; F838-F842 VanDerWaalsContact O-CD2 3.31Å; F838-F842 WeakPolarHBondContact O-CD2 3.12Å; F838-F842 PolarHBondContact O-N 2.96Å; F842-F844 PolarHBondContact O-N 3.27Å; F842-F844 VanDerWaalsContact O-N 3.1Å; F842-A845 HydrophobicContact CB-CB 4.45Å; F842-A845 WeakPolarHBondContact O-CB 3.44Å; F842-A845 PolarHBondContact O-N 2.85Å; F842-F928 HydrophobicContact CE1-CE1 4.28Å; F842-F928 AromaticContact CE1-CZ 3.95Å; F842-F928 HydrophobicContact CE1-CZ 3.95Å; F842-F928 HydrophobicContact CE2-CE2 4.05Å; F842-F928 AromaticContact CE2-CZ 3.66Å; F842-F928 HydrophobicContact CE2-CZ 3.66Å; F842-F928 AromaticContact CZ-CE1 3.8Å; F842-F928 HydrophobicContact CZ-CE1 3.8Å; F842-F928 AromaticContact CZ-CE2 3.58Å; F842-F928 HydrophobicContact CZ-CE2 3.58Å; F842-F928 AromaticContact CZ-CZ 3.06Å; F842-F928 HydrophobicContact CZ-CZ 3.06Å
843	Y	88	Confident	89.1	Confident	210 Å²	210	43.8 Å²	43.8	82%	0.824	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	40.9	174.8	-59.4	-82.5	0	0	0	114.2	I841 A845	I841-Y843 PolarHBondContact O-N 2.95Å; Y843-A845 VanDerWaalsContact C-N 3.26Å; Y843-A845 PolarHBondContact O-N 3.27Å
844	F	89.6	Confident	88.8	Confident	46 Å²	46	42.9 Å²	42.9	20%	0.202	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	36.9	-179.3	-50.5	-79.8	0	0	0	113.3	M318 L321 K322 F335 S839 C840 F842	M318-F844 HydrophobicContact SD-CD1 3.86Å; M318-F844 HydrophobicContact SD-CE1 4.06Å; L321-F844 HydrophobicContact CB-CD1 4.13Å; L321-F844 HydrophobicContact CB-CE1 3.66Å; L321-F844 HydrophobicContact CB-CE2 4.09Å; L321-F844 HydrophobicContact CB-CZ 3.64Å; L321-F844 HydrophobicContact CD1-CE1 3.67Å; L321-F844 HydrophobicContact CD1-CZ 3.93Å; L321-F844 HydrophobicContact CG-CE1 4.32Å; L321-F844 HydrophobicContact CG-CZ 4.36Å; K322-F844 HydrophobicContact CB-CB 3.91Å; K322-F844 HydrophobicContact CB-CG 4.45Å; K322-F844 HydrophobicContact CD-CB 4.38Å; K322-F844 HydrophobicContact CG-CB 4.24Å; F335-F844 WeakPolarHBondContact CZ-O 3.25Å; S839-F844 WeakPolarHBondContact O-CA 3.48Å; S839-F844 PolarHBondContact O-N 3Å; C840-F844 HydrophobicContact CB-CE1 4.27Å; F842-F844 PolarHBondContact O-N 3.27Å; F842-F844 VanDerWaalsContact O-N 3.1Å
845	A	87.4	Confident	88.4	Confident	34 Å²	34	43.6 Å²	43.6	28%	0.281	23%	0.234	S	C	.	.			trans	-72.9	139	170.1	0	0	0	0	0	111.4	S839 F842 Y843 V847	S839-A845 PolarHBondContact OG-O 3.19Å; F842-A845 HydrophobicContact CB-CB 4.45Å; F842-A845 WeakPolarHBondContact O-CB 3.44Å; F842-A845 PolarHBondContact O-N 2.85Å; Y843-A845 VanDerWaalsContact C-N 3.26Å; Y843-A845 PolarHBondContact O-N 3.27Å; A845-V847 HydrophobicContact CB-CG2 4.2Å; A845-V847 PolarHBondContact O-N 3.12Å; A845-V847 VanDerWaalsContact O-N 3.15Å
846	S	87.4	Confident	88	Confident	23 Å²	23	44.7 Å²	44.7	16%	0.161	24%	0.242	C	C	.	.			trans	-89.4	55.6	177.5	48	0	0	0	0	111.4
847	V	88.2	Confident	87.8	Confident	84 Å²	84	46.1 Å²	46.1	51%	0.509	25%	0.248	S	C	.	.			trans	-106.3	135.8	178	-177.8	0	0	0	0	109.4	Q835 A845	Q835-V847 PolarHBondContact NE2-O 3.16Å; A845-V847 HydrophobicContact CB-CG2 4.2Å; A845-V847 PolarHBondContact O-N 3.12Å; A845-V847 VanDerWaalsContact O-N 3.15Å
848	S	88.6	Confident	87.6	Confident	46 Å²	46	44.7 Å²	44.7	32%	0.322	24%	0.239	S	C	.	.			trans	-71.4	130.2	175	56.5	0	0	0	0	111.2
849	L	88.8	Confident	87.3	Confident	9 Å²	9	45 Å²	45	5%	0.047	24%	0.244	C	C	.	.	S	Bend	trans	-63.3	-44	174.7	175.1	64.3	0	0	0	111.5	M834 F838 M917	M834-L849 HydrophobicContact CB-CD2 4.06Å; M834-L849 HydrophobicContact CE-CD2 4.39Å; F838-L849 HydrophobicContact CB-CD1 4.35Å; F838-L849 HydrophobicContact CD1-CB 4.14Å; F838-L849 HydrophobicContact CD1-CD1 4.36Å; F838-L849 HydrophobicContact CD2-CD1 3.63Å; F838-L849 HydrophobicContact CE2-CD1 3.9Å; F838-L849 HydrophobicContact CG-CB 4.3Å; F838-L849 HydrophobicContact CG-CD1 3.87Å; F838-L849 HydrophobicContact CZ-CD1 4.4Å; L849-M917 HydrophobicContact CD1-CE 4.25Å; L849-M917 HydrophobicContact CD1-SD 4.2Å; L849-M917 HydrophobicContact CD2-SD 3.81Å
850	Y	88.2	Confident	86.9	Confident	8 Å²	8	47.7 Å²	47.7	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-114.1	141.2	-178.5	-58.9	-54.8	0	0	0	112	M834 M855 V932 S935 F936 L939	M834-Y850 HydrophobicContact CE-CE2 4.42Å; M834-Y850 WeakPolarHBondContact CE-OH 3.37Å; Y850-M855 HydrophobicContact CD2-SD 3.78Å; Y850-M855 HydrophobicContact CG-SD 4.29Å; Y850-V932 HydrophobicContact CD1-CG1 3.97Å; Y850-V932 HydrophobicContact CE1-CG1 4.28Å; Y850-S935 PolarHBondContact OH-OG 3.28Å; Y850-S935 VanDerWaalsContact OH-OG 3.14Å; Y850-F936 HydrophobicContact CD1-CB 4.44Å; Y850-F936 HydrophobicContact CD1-CD2 4.02Å; Y850-F936 HydrophobicContact CD2-CD2 4.33Å; Y850-F936 HydrophobicContact CE1-CB 3.76Å; Y850-F936 AromaticContact CE1-CD2 3.87Å; Y850-F936 HydrophobicContact CE1-CD2 3.87Å; Y850-F936 HydrophobicContact CE1-CG 4.27Å; Y850-F936 HydrophobicContact CE2-CD2 4.17Å; Y850-F936 HydrophobicContact CG-CD2 4.24Å; Y850-F936 AromaticContact CZ-CD2 3.92Å; Y850-F936 PolarHBondContact OH-N 2.96Å; Y850-L939 HydrophobicContact CE2-CD2 4.38Å
851	P	85.1	Confident	86.7	Confident	61 Å²	61	47.1 Å²	47.1	40%	0.396	26%	0.255	S	S	.	.			trans	-55.9	141.3	167.3	-22.3	31	0	0	0	111.7	M853 L854 M855	P851-M853 PolarHBondContact O-N 3.21Å; P851-L854 PolarHBondContact O-N 3.14Å; P851-M855 PolarHBondContact O-N 2.98Å
852	G	81.6	Confident	86.8	Confident	14 Å²	14	44 Å²	44	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-54.2	-32.4	-178.5	0	0	0	0	0	114.3	T104 M855 V856	T104-G852 WeakPolarHBondContact CG2-O 3.06Å; G852-M855 WeakPolarHBondContact O-CB 3.3Å; G852-M855 PolarHBondContact O-N 3.24Å; G852-V856 WeakPolarHBondContact O-CG2 3.48Å; G852-V856 PolarHBondContact O-N 3.26Å
853	M	83.9	Confident	87	Confident	91 Å²	91	40.7 Å²	40.7	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-43.1	176.1	-171.6	-176.6	76.2	0	0	112.6	P851 M855 V856 L857 L976 V979	P851-M853 PolarHBondContact O-N 3.21Å; M853-M855 VanDerWaalsContact C-N 3.28Å; M853-M855 PolarHBondContact O-N 3.13Å; M853-V856 PolarHBondContact O-N 2.99Å; M853-L857 HydrophobicContact CE-CD1 4.35Å; M853-L857 HydrophobicContact CG-CD1 4.05Å; M853-L857 HydrophobicContact CG-CG 4.49Å; M853-L857 WeakPolarHBondContact O-CB 3.46Å; M853-L857 WeakPolarHBondContact O-CG 3.47Å; M853-L857 PolarHBondContact O-N 3.18Å; M853-L976 HydrophobicContact CE-CD1 4.43Å; M853-L976 HydrophobicContact CE-CD2 4.12Å; M853-V979 HydrophobicContact CE-CG2 3.91Å
854	L	87.2	Confident	87	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-37.3	177	-79.8	-174.2	0	0	0	111.3	P851 L857 Y858 V932 F936 V979 F980	P851-L854 PolarHBondContact O-N 3.14Å; L854-L857 PolarHBondContact O-N 3.39Å; L854-Y858 VanDerWaalsContact O-CB 3.23Å; L854-Y858 WeakPolarHBondContact O-CB 3.36Å; L854-Y858 PolarHBondContact O-N 3.45Å; L854-V932 HydrophobicContact CD1-CG1 4.26Å; L854-F936 HydrophobicContact CB-CE2 4Å; L854-F936 HydrophobicContact CB-CZ 3.91Å; L854-F936 HydrophobicContact CD1-CD1 4.38Å; L854-F936 HydrophobicContact CD1-CD2 4.47Å; L854-F936 HydrophobicContact CD1-CE1 4.46Å; L854-F936 HydrophobicContact CD1-CG 4.38Å; L854-F936 HydrophobicContact CD2-CD1 4.42Å; L854-F936 HydrophobicContact CD2-CE1 3.86Å; L854-F936 HydrophobicContact CD2-CZ 4.05Å; L854-F936 HydrophobicContact CG-CZ 4.39Å; L854-V979 HydrophobicContact CD1-CG1 3.54Å; L854-V979 HydrophobicContact CD2-CG1 4.1Å; L854-V979 HydrophobicContact CG-CG1 3.84Å; L854-F980 HydrophobicContact CD1-CE1 4.49Å; L854-F980 HydrophobicContact CD1-CZ 4.08Å; L854-F980 HydrophobicContact CD2-CE2 3.94Å; L854-F980 HydrophobicContact CD2-CZ 3.69Å
855	M	85.7	Confident	87	Confident	14 Å²	14	34.9 Å²	34.9	7%	0.069	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-42.6	177.4	-65.2	-67.8	-70.1	0	0	112.1	Y341 I831 Y850 P851 G852 M853 S859	Y341-M855 HydrophobicContact CD1-CE 3.56Å; Y341-M855 HydrophobicContact CD2-CE 3.57Å; Y341-M855 HydrophobicContact CE1-CB 4.22Å; Y341-M855 HydrophobicContact CE1-CE 3.68Å; Y341-M855 HydrophobicContact CE2-CE 3.71Å; Y341-M855 HydrophobicContact CG-CE 3.51Å; I831-M855 HydrophobicContact CD1-CE 3.89Å; I831-M855 HydrophobicContact CD1-SD 4Å; I831-M855 HydrophobicContact CG2-CE 3.29Å; I831-M855 HydrophobicContact CG2-SD 4.01Å; Y850-M855 HydrophobicContact CD2-SD 3.78Å; Y850-M855 HydrophobicContact CG-SD 4.29Å; P851-M855 PolarHBondContact O-N 2.98Å; G852-M855 WeakPolarHBondContact O-CB 3.3Å; G852-M855 PolarHBondContact O-N 3.24Å; M853-M855 VanDerWaalsContact C-N 3.28Å; M853-M855 PolarHBondContact O-N 3.13Å; M855-S859 PolarHBondContact O-N 3.46Å; M855-S859 PolarHBondContact O-OG 3.24Å
856	V	84.4	Confident	87.2	Confident	38 Å²	38	33.3 Å²	33.3	23%	0.23	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-54.2	174.3	174.5	0	0	0	0	109.7	T104 G852 M853 Y858 S859 T860	T104-V856 HydrophobicContact CG2-CG2 3.84Å; G852-V856 WeakPolarHBondContact O-CG2 3.48Å; G852-V856 PolarHBondContact O-N 3.26Å; M853-V856 PolarHBondContact O-N 2.99Å; V856-Y858 VanDerWaalsContact C-N 3.28Å; V856-Y858 PolarHBondContact O-N 3.32Å; V856-S859 PolarHBondContact O-N 3.13Å; V856-S859 PolarHBondContact O-OG 2.66Å; V856-T860 HydrophobicContact CG1-CG2 4.32Å; V856-T860 PolarHBondContact O-N 3.04Å; V856-T860 PolarHBondContact O-OG1 2.91Å
857	L	88.2	Confident	87.2	Confident	42 Å²	42	32.3 Å²	32.3	22%	0.22	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-38	-178.6	-70.8	171.8	0	0	0	113	M853 L854 S859 V861 Y862 L976	M853-L857 HydrophobicContact CE-CD1 4.35Å; M853-L857 HydrophobicContact CG-CD1 4.05Å; M853-L857 HydrophobicContact CG-CG 4.49Å; M853-L857 WeakPolarHBondContact O-CB 3.46Å; M853-L857 WeakPolarHBondContact O-CG 3.47Å; M853-L857 PolarHBondContact O-N 3.18Å; L854-L857 PolarHBondContact O-N 3.39Å; L857-S859 VanDerWaalsContact C-N 3.33Å; L857-S859 PolarHBondContact O-N 3.44Å; L857-V861 HydrophobicContact CD2-CB 4.44Å; L857-V861 HydrophobicContact CD2-CG2 3.92Å; L857-V861 CarbonylContact O-C 3.59Å; L857-V861 WeakPolarHBondContact O-CA 3.36Å; L857-V861 WeakPolarHBondContact O-CB 3.46Å; L857-V861 PolarHBondContact O-N 3.49Å; L857-Y862 HydrophobicContact CB-CD2 4.17Å; L857-Y862 HydrophobicContact CB-CE2 3.6Å; L857-Y862 PolarHBondContact O-N 3.11Å; L857-L976 HydrophobicContact CD1-CD1 4.45Å
858	Y	88.8	Confident	87.3	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.008	17%	0.17	C	C	.	.	I	π-helix	trans	-56.3	-48.7	174	175.1	-109	0	0	0	111.9	R827 I831 L854 V856 T863 F936 L939 V940 E943	R827-Y858 HydrophobicContact CG-CD1 4.19Å; R827-Y858 HydrophobicContact CG-CE1 3.2Å; R827-Y858 WeakPolarHBondContact CG-OH 3.4Å; I831-Y858 HydrophobicContact CD1-CD1 3.36Å; I831-Y858 HydrophobicContact CD1-CE1 3.19Å; I831-Y858 HydrophobicContact CD1-CG 4.28Å; I831-Y858 HydrophobicContact CG1-CE1 4Å; L854-Y858 VanDerWaalsContact O-CB 3.23Å; L854-Y858 WeakPolarHBondContact O-CB 3.36Å; L854-Y858 PolarHBondContact O-N 3.45Å; V856-Y858 VanDerWaalsContact C-N 3.28Å; V856-Y858 PolarHBondContact O-N 3.32Å; Y858-T863 HydrophobicContact CD2-CG2 3.96Å; Y858-T863 HydrophobicContact CE2-CG2 3.63Å; Y858-T863 PolarHBondContact O-N 2.98Å; Y858-T863 PolarHBondContact O-OG1 2.99Å; Y858-F936 HydrophobicContact CD2-CE2 4.37Å; Y858-F936 HydrophobicContact CD2-CZ 4.33Å; Y858-F936 HydrophobicContact CG-CE2 4.45Å; Y858-F936 HydrophobicContact CG-CZ 4.49Å; Y858-L939 HydrophobicContact CD2-CD2 4.4Å; Y858-L939 HydrophobicContact CE2-CD2 3.85Å; Y858-L939 HydrophobicContact CE2-CG 3.79Å; Y858-L939 WeakPolarHBondContact OH-CD1 3.3Å; Y858-V940 HydrophobicContact CD2-CG2 3.97Å; Y858-V940 HydrophobicContact CE2-CG2 4.2Å; Y858-E943 HydrophobicContact CE2-CG 4.43Å; Y858-E943 VanDerWaalsContact OH-CG 3.22Å; Y858-E943 WeakPolarHBondContact OH-CG 3.4Å; Y858-E943 PolarHBondContact OH-OE1 2.91Å
859	S	83.9	Confident	87.3	Confident	28 Å²	28	28.4 Å²	28.4	20%	0.196	16%	0.156	C	C	.	.	I	π-helix	trans	-79.7	-31	-173.3	71.3	0	0	0	0	114.2	R827 M855 V856 L857	R827-S859 PolarHBondContact NH1-O 3.45Å; R827-S859 PolarHBondContact NH2-O 2.96Å; M855-S859 PolarHBondContact O-N 3.46Å; M855-S859 PolarHBondContact O-OG 3.24Å; V856-S859 PolarHBondContact O-N 3.13Å; V856-S859 PolarHBondContact O-OG 2.66Å; L857-S859 VanDerWaalsContact C-N 3.33Å; L857-S859 PolarHBondContact O-N 3.44Å
860	T	83.6	Confident	87.4	Confident	58 Å²	58	28.2 Å²	28.2	36%	0.356	16%	0.155	S	C	.	.	I	π-helix	trans	-103.7	-26.9	-173.2	58	0	0	0	0	114.1	V856 M864	V856-T860 HydrophobicContact CG1-CG2 4.32Å; V856-T860 PolarHBondContact O-N 3.04Å; V856-T860 PolarHBondContact O-OG1 2.91Å; T860-M864 WeakPolarHBondContact O-CB 3.39Å
861	V	87.2	Confident	87.5	Confident	41 Å²	41	27.9 Å²	27.9	25%	0.248	15%	0.153	C	C	.	.	I	π-helix	trans	-118.5	-63.5	-173.7	-176.3	0	0	0	0	111.1	L857 T863 I968	L857-V861 HydrophobicContact CD2-CB 4.44Å; L857-V861 HydrophobicContact CD2-CG2 3.92Å; L857-V861 CarbonylContact O-C 3.59Å; L857-V861 WeakPolarHBondContact O-CA 3.36Å; L857-V861 WeakPolarHBondContact O-CB 3.46Å; L857-V861 PolarHBondContact O-N 3.49Å; V861-T863 PolarHBondContact O-N 3.19Å; V861-I968 HydrophobicContact CG1-CG2 3.57Å
862	Y	90.9	Very high	87.7	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.016	15%	0.149	C	C	.	.	I	π-helix	trans	-66.1	-38.9	-166.2	-57.1	-36.2	0	0	0	113.8	L857 F936 S965 I968 Y969 S972	L857-Y862 HydrophobicContact CB-CD2 4.17Å; L857-Y862 HydrophobicContact CB-CE2 3.6Å; L857-Y862 PolarHBondContact O-N 3.11Å; Y862-F936 AromaticContact CD2-CE1 3.94Å; Y862-F936 HydrophobicContact CD2-CE1 3.94Å; Y862-F936 HydrophobicContact CD2-CZ 4.06Å; Y862-F936 AromaticContact CE2-CE1 3.78Å; Y862-F936 HydrophobicContact CE2-CE1 3.78Å; Y862-F936 HydrophobicContact CE2-CZ 4.07Å; Y862-S965 VanDerWaalsContact O-CB 3.22Å; Y862-S965 WeakPolarHBondContact O-CB 3.04Å; Y862-S965 PolarHBondContact O-OG 3.23Å; Y862-I968 HydrophobicContact CD1-CG2 4.23Å; Y862-I968 HydrophobicContact CE1-CG2 4.22Å; Y862-Y969 AromaticContact CD1-CD2 3.92Å; Y862-Y969 HydrophobicContact CD1-CD2 3.92Å; Y862-Y969 AromaticContact CD2-CD2 3.84Å; Y862-Y969 HydrophobicContact CD2-CD2 3.84Å; Y862-Y969 HydrophobicContact CD2-CE2 4.26Å; Y862-Y969 AromaticContact CE1-CD2 3.98Å; Y862-Y969 HydrophobicContact CE1-CD2 3.98Å; Y862-Y969 AromaticContact CE2-CD2 3.91Å; Y862-Y969 HydrophobicContact CE2-CD2 3.91Å; Y862-Y969 HydrophobicContact CE2-CE2 4.16Å; Y862-Y969 AromaticContact CG-CD2 3.87Å; Y862-Y969 HydrophobicContact CG-CD2 3.87Å; Y862-Y969 AromaticContact CZ-CD2 3.98Å; Y862-S972 WeakPolarHBondContact CE1-OG 3.34Å; Y862-S972 WeakPolarHBondContact OH-CB 3.43Å; Y862-S972 PolarHBondContact OH-OG 3.07Å
863	T	90.6	Very high	88.1	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	0.9	-177.8	61.1	0	0	0	0	113.6	R827 Y858 V861 V867 E943	R827-T863 VanDerWaalsContact CD-OG1 3.3Å; R827-T863 WeakPolarHBondContact CD-OG1 3.17Å; R827-T863 PolarHBondContact NH1-OG1 3.17Å; Y858-T863 HydrophobicContact CD2-CG2 3.96Å; Y858-T863 HydrophobicContact CE2-CG2 3.63Å; Y858-T863 PolarHBondContact O-N 2.98Å; Y858-T863 PolarHBondContact O-OG1 2.99Å; V861-T863 PolarHBondContact O-N 3.19Å; T863-V867 WeakPolarHBondContact O-CB 3.49Å; T863-V867 WeakPolarHBondContact O-CG2 3.35Å; T863-V867 PolarHBondContact O-N 3.44Å; T863-E943 HydrophobicContact CG2-CB 4.15Å
864	M	88.3	Confident	88.3	Confident	40 Å²	40	28.8 Å²	28.8	20%	0.197	14%	0.144	C	C	.	.	H	α-helix	trans	-72.1	-48.3	-171.6	175.3	50.1	-164.4	0	0	113	N350 T860 V867 F868	N350-M864 VanDerWaalsContact OD1-CE 3.26Å; N350-M864 WeakPolarHBondContact OD1-CE 3.28Å; N350-M864 PolarHBondContact OD1-SD 2.62Å; T860-M864 WeakPolarHBondContact O-CB 3.39Å; M864-V867 PolarHBondContact O-N 3.33Å; M864-F868 HydrophobicContact CE-CB 3.48Å; M864-F868 VanDerWaalsContact CE-CB 3.48Å; M864-F868 HydrophobicContact CE-CD1 4.44Å; M864-F868 HydrophobicContact CE-CD2 3.65Å; M864-F868 HydrophobicContact CE-CG 3.58Å; M864-F868 VanDerWaalsContact O-CB 3.24Å; M864-F868 WeakPolarHBondContact O-CB 3.49Å; M864-F868 PolarHBondContact O-N 2.9Å; M864-F868 HydrophobicContact SD-CB 4.14Å
865	F	90.2	Very high	88.2	Confident	93 Å²	93	29.8 Å²	29.8	41%	0.408	15%	0.149	S	C	.	.	H	α-helix	trans	-60.9	-47.2	-175.2	-59.7	-73.6	0	0	0	113.3	F868 S869 A961 L964 I968	F865-F868 PolarHBondContact O-N 3.47Å; F865-S869 WeakPolarHBondContact O-CB 3.45Å; F865-S869 PolarHBondContact O-N 3.38Å; F865-A961 HydrophobicContact CB-CB 3.92Å; F865-L964 HydrophobicContact CD2-CD2 4.19Å; F865-L964 HydrophobicContact CE2-CD2 4.13Å; F865-L964 HydrophobicContact CG-CD2 4.41Å; F865-L964 HydrophobicContact CZ-CD2 4.29Å; F865-I968 HydrophobicContact CD2-CD1 4.43Å; F865-I968 HydrophobicContact CE2-CD1 3.81Å
866	P	90.3	Very high	88.3	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-68.8	-42.7	-178.8	-23	37.3	0	0	0	111.9	F868 S869 L944 V947 E962 S965	P866-F868 VanDerWaalsContact C-N 3.32Å; P866-F868 PolarHBondContact O-N 3.03Å; P866-S869 WeakPolarHBondContact O-CB 3.24Å; P866-S869 PolarHBondContact O-N 2.94Å; P866-S869 VanDerWaalsContact O-N 3.09Å; P866-S869 PolarHBondContact O-OG 3.48Å; P866-L944 HydrophobicContact CB-CD2 4.3Å; P866-L944 HydrophobicContact CG-CD2 3.64Å; P866-V947 HydrophobicContact CB-CB 4.49Å; P866-V947 HydrophobicContact CB-CG1 3.93Å; P866-E962 HydrophobicContact CB-CG 4.29Å; P866-E962 WeakPolarHBondContact CB-OE1 3.39Å; P866-E962 HydrophobicContact CG-CG 4.49Å; P866-S965 WeakPolarHBondContact CD-OG 3.24Å
867	V	88.4	Confident	88.5	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-42.8	176.5	172.3	0	0	0	0	110.8	L820 F823 V824 T863 M864 S869 L870 V947	L820-V867 HydrophobicContact CD1-CG1 3.58Å; L820-V867 WeakPolarHBondContact CD1-O 3.48Å; F823-V867 HydrophobicContact CB-CG1 4.47Å; V824-V867 HydrophobicContact CG2-CG1 3.72Å; T863-V867 WeakPolarHBondContact O-CB 3.49Å; T863-V867 WeakPolarHBondContact O-CG2 3.35Å; T863-V867 PolarHBondContact O-N 3.44Å; M864-V867 PolarHBondContact O-N 3.33Å; V867-S869 VanDerWaalsContact C-N 3.29Å; V867-S869 PolarHBondContact O-N 3.33Å; V867-L870 VanDerWaalsContact O-CB 3.27Å; V867-L870 WeakPolarHBondContact O-CB 3.32Å; V867-L870 WeakPolarHBondContact O-CD1 3.38Å; V867-L870 WeakPolarHBondContact O-CG 3.18Å; V867-L870 PolarHBondContact O-N 3.11Å; V867-V947 HydrophobicContact CG2-CG2 3.95Å
868	F	88.9	Confident	88.6	Confident	45 Å²	45	36.6 Å²	36.6	20%	0.197	18%	0.177	C	C	.	.	H	α-helix	trans	-70.2	-26.6	176.8	-166.5	-105.4	0	0	0	112.8	M353 A354 V357 M864 F865 P866 L870 V871	M353-F868 HydrophobicContact CB-CE2 3.66Å; M353-F868 HydrophobicContact CB-CZ 3.96Å; M353-F868 HydrophobicContact CG-CE1 4.19Å; M353-F868 HydrophobicContact CG-CE2 3.53Å; M353-F868 HydrophobicContact CG-CZ 3.33Å; A354-F868 HydrophobicContact CB-CE2 4.36Å; V357-F868 HydrophobicContact CG2-CE1 4.12Å; V357-F868 HydrophobicContact CG2-CZ 3.79Å; M864-F868 HydrophobicContact CE-CB 3.48Å; M864-F868 VanDerWaalsContact CE-CB 3.48Å; M864-F868 HydrophobicContact CE-CD1 4.44Å; M864-F868 HydrophobicContact CE-CD2 3.65Å; M864-F868 HydrophobicContact CE-CG 3.58Å; M864-F868 VanDerWaalsContact O-CB 3.24Å; M864-F868 WeakPolarHBondContact O-CB 3.49Å; M864-F868 PolarHBondContact O-N 2.9Å; M864-F868 HydrophobicContact SD-CB 4.14Å; F865-F868 PolarHBondContact O-N 3.47Å; P866-F868 VanDerWaalsContact C-N 3.32Å; P866-F868 PolarHBondContact O-N 3.03Å; F868-L870 PolarHBondContact O-N 3.06Å; F868-L870 VanDerWaalsContact O-N 3.16Å; F868-V871 HydrophobicContact CD2-CG2 4.03Å; F868-V871 HydrophobicContact CE2-CG2 3.85Å; F868-V871 HydrophobicContact CZ-CG2 4.19Å; F868-V871 WeakPolarHBondContact O-CB 3.27Å; F868-V871 WeakPolarHBondContact O-CG2 3.44Å; F868-V871 PolarHBondContact O-N 3.45Å; F868-V871 VanDerWaalsContact O-N 3.07Å
869	S	90.4	Very high	88.6	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-21.2	175.5	84.4	0	0	0	0	113.2	F865 P866 V867 V871 M872 M958	F865-S869 WeakPolarHBondContact O-CB 3.45Å; F865-S869 PolarHBondContact O-N 3.38Å; P866-S869 WeakPolarHBondContact O-CB 3.24Å; P866-S869 PolarHBondContact O-N 2.94Å; P866-S869 VanDerWaalsContact O-N 3.09Å; P866-S869 PolarHBondContact O-OG 3.48Å; V867-S869 VanDerWaalsContact C-N 3.29Å; V867-S869 PolarHBondContact O-N 3.33Å; S869-V871 PolarHBondContact O-N 3.32Å; S869-V871 VanDerWaalsContact O-N 3.11Å; S869-M872 WeakPolarHBondContact O-CB 3.43Å; S869-M872 PolarHBondContact O-N 2.91Å; S869-M958 WeakPolarHBondContact O-CE 3.5Å
870	L	89	Confident	89	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.5	-22.3	172.9	-63.6	173.9	0	0	0	113.2	F823 V867 F868 M872 D873 V947 I951	F823-L870 HydrophobicContact CB-CD1 4.22Å; F823-L870 HydrophobicContact CD2-CD1 3.45Å; F823-L870 VanDerWaalsContact CD2-CD1 3.45Å; F823-L870 HydrophobicContact CE2-CD1 3.98Å; F823-L870 HydrophobicContact CG-CD1 3.97Å; V867-L870 VanDerWaalsContact O-CB 3.27Å; V867-L870 WeakPolarHBondContact O-CB 3.32Å; V867-L870 WeakPolarHBondContact O-CD1 3.38Å; V867-L870 WeakPolarHBondContact O-CG 3.18Å; V867-L870 PolarHBondContact O-N 3.11Å; F868-L870 PolarHBondContact O-N 3.06Å; F868-L870 VanDerWaalsContact O-N 3.16Å; L870-M872 PolarHBondContact O-N 2.81Å; L870-M872 VanDerWaalsContact O-N 3.13Å; L870-D873 WeakPolarHBondContact O-CB 3.39Å; L870-D873 PolarHBondContact O-N 3.36Å; L870-D873 VanDerWaalsContact O-N 3.1Å; L870-V947 HydrophobicContact CD2-CG1 4.41Å; L870-I951 HydrophobicContact CD2-CG1 3.74Å
871	V	90.8	Very high	89.3	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.2	-17.2	172.4	177.3	0	0	0	0	111.8	A354 V357 Y358 R816 L820 F868 S869	A354-V871 HydrophobicContact CB-CG1 4.19Å; A354-V871 HydrophobicContact CB-CG2 3.54Å; V357-V871 HydrophobicContact CB-CG1 3.8Å; V357-V871 HydrophobicContact CG1-CG1 3.59Å; Y358-V871 HydrophobicContact CD1-CG1 3.99Å; Y358-V871 HydrophobicContact CE1-CB 4.26Å; Y358-V871 HydrophobicContact CE1-CG1 3.4Å; R816-V871 WeakPolarHBondContact CD-O 3.49Å; R816-V871 VanDerWaalsContact CZ-O 3.28Å; R816-V871 PolarHBondContact NE-O 2.93Å; R816-V871 PolarHBondContact NH1-O 3.17Å; R816-V871 VanDerWaalsContact NH1-O 3.1Å; L820-V871 HydrophobicContact CD2-CG2 3.95Å; F868-V871 HydrophobicContact CD2-CG2 4.03Å; F868-V871 HydrophobicContact CE2-CG2 3.85Å; F868-V871 HydrophobicContact CZ-CG2 4.19Å; F868-V871 WeakPolarHBondContact O-CB 3.27Å; F868-V871 WeakPolarHBondContact O-CG2 3.44Å; F868-V871 PolarHBondContact O-N 3.45Å; F868-V871 VanDerWaalsContact O-N 3.07Å; S869-V871 PolarHBondContact O-N 3.32Å; S869-V871 VanDerWaalsContact O-N 3.11Å
872	M	89.6	Confident	89.5	Confident	61 Å²	61	42.5 Å²	42.5	30%	0.3	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-103.3	-2.8	177	-67.2	-175.9	-74.6	0	0	114.2	M361 R816 S869 L870 S957 M958	M361-M872 HydrophobicContact CE-CG 3.66Å; R816-M872 PolarHBondContact NH2-O 2.86Å; S869-M872 WeakPolarHBondContact O-CB 3.43Å; S869-M872 PolarHBondContact O-N 2.91Å; L870-M872 PolarHBondContact O-N 2.81Å; L870-M872 VanDerWaalsContact O-N 3.13Å; M872-S957 VanDerWaalsContact CE-OG 3.23Å; M872-S957 WeakPolarHBondContact CE-OG 3.49Å; M872-M958 HydrophobicContact CB-CE 4.4Å
873	D	89.7	Confident	89.6	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.07	22%	0.223	C	C	.	.			trans	-65.8	149.9	-175.3	-167.5	31.6	0	0	0	112.7	R816 L870 H952 T953 M958	R816-D873 PolarHBondContact NE-O 3.39Å; R816-D873 PolarHBondContact NH2-O 3.36Å; L870-D873 WeakPolarHBondContact O-CB 3.39Å; L870-D873 PolarHBondContact O-N 3.36Å; L870-D873 VanDerWaalsContact O-N 3.1Å; D873-H952 PolarHBondContact OD1-N 3.33Å; D873-H952 VanDerWaalsContact OD1-N 3.15Å; D873-H952 IonicContact OD2-CE1 2.68Å; D873-H952 IonicContact OD2-CG 2.83Å; D873-H952 PolarHBondContact OD2-N 3.26Å; D873-H952 IonicContact OD2-ND1 2.68Å; D873-H952 PolarHBondContact OD2-ND1 3.39Å; D873-T953 PolarHBondContact OD1-N 3.06Å; D873-T953 VanDerWaalsContact OD1-N 3.14Å; D873-T953 PolarHBondContact OD1-OG1 3.07Å; D873-M958 HydrophobicContact CB-CE 3.71Å
874	R	89	Confident	89.6	Confident	112 Å²	112	50.9 Å²	50.9	42%	0.423	24%	0.24	S	C	.	.			trans	-129	117.6	177.5	-59.8	179.9	-170.7	-163.5	-1.5	109	H952 T953	R874-H952 WeakPolarHBondContact O-CB 3.3Å; R874-T953 HydrophobicContact CB-CG2 4.32Å; R874-T953 PolarHBondContact N-OG1 3.03Å; R874-T953 VanDerWaalsContact N-OG1 3.12Å; R874-T953 VanDerWaalsContact O-CG2 3.28Å; R874-T953 WeakPolarHBondContact O-CG2 3.36Å; R874-T953 PolarHBondContact O-OG1 3.44Å
875	D	84.8	Confident	89.7	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.112	23%	0.234	C	C	.	.	S	Bend	trans	-77.7	-29.6	179.8	66.1	-37.7	0	0	0	112.7	R811 Y1020	R811-D875 IonicContact CZ-OD2 2.97Å; R811-D875 IonicContact NE-OD1 3.75Å; R811-D875 PolarHBondContact NE-OD1 3.34Å; R811-D875 IonicContact NE-OD2 2.7Å; R811-D875 PolarHBondContact NE-OD2 3.15Å; R811-D875 IonicContact NH2-OD2 3.9Å; R811-D875 PolarHBondContact NH2-OD2 2.99Å; D875-Y1020 VanDerWaalsContact O-CD2 3.29Å; D875-Y1020 WeakPolarHBondContact O-CD2 3.38Å; D875-Y1020 WeakPolarHBondContact O-CE2 3.12Å
876	A	86.7	Confident	89.7	Confident	14 Å²	14	49.1 Å²	49.1	12%	0.116	24%	0.236	C	C	.	.	S	Bend	trans	-140.6	157	178.3	0	0	0	0	0	111.9	V881	A876-V881 HydrophobicContact CB-CG2 3.83Å
877	K	88.8	Confident	89.7	Confident	173 Å²	173	49.3 Å²	49.3	75%	0.752	24%	0.237	S	C	*	.			trans	-70.5	143.3	170.9	-68.3	178.7	-177	171.2	0	109.8	K879 V880 V881	K877-K879 PolarHBondContact O-N 2.96Å; K877-V880 HydrophobicContact CB-CG2 4.21Å; K877-V880 WeakPolarHBondContact O-CB 3.48Å; K877-V880 PolarHBondContact O-N 3.31Å; K877-V881 PolarHBondContact O-N 3.16Å
878	E	90.2	Very high	89.9	Confident	49 Å²	49	49.5 Å²	49.5	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-53.3	-47.9	-178	-172.9	-178.8	141.7	0	0	113.9	R804 W808 V880 V881 L882	R804-E878 IonicContact CZ-OE1 2.84Å; R804-E878 VanDerWaalsContact NH1-CD 3.34Å; R804-E878 IonicContact NH1-OE1 3.72Å; R804-E878 PolarHBondContact NH1-OE1 3.13Å; R804-E878 IonicContact NH2-OE1 2.82Å; R804-E878 PolarHBondContact NH2-OE1 3.33Å; R804-E878 IonicContact NH2-OE2 3.82Å; R804-E878 PolarHBondContact NH2-OE2 3Å; W808-E878 HydrophobicContact CD2-CB 4.41Å; W808-E878 HydrophobicContact CD2-CG 4.05Å; W808-E878 HydrophobicContact CE3-CB 4.21Å; W808-E878 HydrophobicContact CE3-CG 4.23Å; W808-E878 HydrophobicContact CH2-CB 3.89Å; W808-E878 HydrophobicContact CZ2-CB 4.07Å; W808-E878 HydrophobicContact CZ2-CG 4.31Å; W808-E878 HydrophobicContact CZ3-CB 3.97Å; W808-E878 HydrophobicContact CZ3-CG 4.47Å; E878-V880 PolarHBondContact O-N 3.13Å; E878-V881 PolarHBondContact O-N 3Å; E878-V881 VanDerWaalsContact O-N 3.09Å; E878-L882 HydrophobicContact CG-CD1 4.48Å; E878-L882 PolarHBondContact O-N 3.35Å; E878-L882 VanDerWaalsContact O-N 3.1Å
879	K	90.3	Very high	89.9	Confident	175 Å²	175	51.2 Å²	51.2	76%	0.761	25%	0.245	S	C	*	.	H	α-helix	trans	-56.2	-39.2	177.3	-67.2	-173.1	177.2	-173.9	0	112.5	K877 T883	K877-K879 PolarHBondContact O-N 2.96Å; K879-T883 VanDerWaalsContact O-CB 3.31Å; K879-T883 WeakPolarHBondContact O-CB 3.3Å; K879-T883 PolarHBondContact O-N 3.29Å; K879-T883 PolarHBondContact O-OG1 2.85Å
880	V	90.8	Very high	89.7	Confident	27 Å²	27	52.4 Å²	52.4	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-40.9	179.9	-179.5	0	0	0	0	110.3	K877 E878 T883 F884 L887 L1023	K877-V880 HydrophobicContact CB-CG2 4.21Å; K877-V880 WeakPolarHBondContact O-CB 3.48Å; K877-V880 PolarHBondContact O-N 3.31Å; E878-V880 PolarHBondContact O-N 3.13Å; V880-T883 PolarHBondContact O-N 3.37Å; V880-F884 HydrophobicContact CG1-CD2 3.98Å; V880-F884 WeakPolarHBondContact O-CD2 3.39Å; V880-F884 PolarHBondContact O-N 3.47Å; V880-L887 HydrophobicContact CG1-CD1 4.45Å; V880-L1023 HydrophobicContact CG1-CB 4.05Å
881	V	91.6	Very high	89.7	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-42.1	-179.8	177.3	0	0	0	0	111.8	L807 W808 A876 K877 E878 F884	L807-V881 HydrophobicContact CB-CG1 4.43Å; L807-V881 VanDerWaalsContact O-CG1 3.27Å; L807-V881 WeakPolarHBondContact O-CG1 3.13Å; W808-V881 HydrophobicContact CE3-CB 4.26Å; W808-V881 HydrophobicContact CE3-CG1 4.46Å; W808-V881 HydrophobicContact CE3-CG2 4.14Å; W808-V881 HydrophobicContact CZ3-CG2 4.13Å; A876-V881 HydrophobicContact CB-CG2 3.83Å; K877-V881 PolarHBondContact O-N 3.16Å; E878-V881 PolarHBondContact O-N 3Å; E878-V881 VanDerWaalsContact O-N 3.09Å; V881-F884 CarbonylContact O-C 3.55Å
882	L	90.7	Very high	89.5	Confident	48 Å²	48	53.9 Å²	53.9	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-75	-30.6	178.9	-66.5	175	0	0	0	112.8	L807 E878	L807-L882 HydrophobicContact CB-CD2 4.35Å; L807-L882 HydrophobicContact CD1-CD2 4.4Å; E878-L882 HydrophobicContact CG-CD1 4.48Å; E878-L882 PolarHBondContact O-N 3.35Å; E878-L882 VanDerWaalsContact O-N 3.1Å
883	T	91.9	Very high	89.1	Confident	96 Å²	96	56.5 Å²	56.5	59%	0.589	27%	0.27	S	S	*	.	H	α-helix	trans	-74.2	-35.9	175.7	-52	0	0	0	0	111.8	K879 V880 P885	K879-T883 VanDerWaalsContact O-CB 3.31Å; K879-T883 WeakPolarHBondContact O-CB 3.3Å; K879-T883 PolarHBondContact O-N 3.29Å; K879-T883 PolarHBondContact O-OG1 2.85Å; V880-T883 PolarHBondContact O-N 3.37Å; T883-P885 VanDerWaalsContact C-CD 3.41Å; T883-P885 WeakPolarHBondContact O-CD 3.41Å
884	F	91.7	Very high	88.6	Confident	85 Å²	85	56.6 Å²	56.6	37%	0.373	27%	0.274	S	S	.	.			trans	-117.2	74.1	-178.6	-59.9	-73.2	0	0	0	111.5	V880 V881 D886 L887 L1023	V880-F884 HydrophobicContact CG1-CD2 3.98Å; V880-F884 WeakPolarHBondContact O-CD2 3.39Å; V880-F884 PolarHBondContact O-N 3.47Å; V881-F884 CarbonylContact O-C 3.55Å; F884-D886 PolarHBondContact O-N 3.39Å; F884-D886 VanDerWaalsContact O-N 3.08Å; F884-L887 HydrophobicContact CB-CD1 4.44Å; F884-L887 WeakPolarHBondContact O-CB 3.24Å; F884-L887 PolarHBondContact O-N 3.21Å; F884-L887 VanDerWaalsContact O-N 3.14Å; F884-L1023 HydrophobicContact CB-CD1 4.04Å; F884-L1023 HydrophobicContact CD1-CD2 4.21Å; F884-L1023 HydrophobicContact CD2-CB 4.43Å; F884-L1023 HydrophobicContact CD2-CD1 4.35Å; F884-L1023 HydrophobicContact CD2-CD2 4.26Å; F884-L1023 HydrophobicContact CE1-CD2 4.25Å; F884-L1023 HydrophobicContact CE2-CD2 4.3Å; F884-L1023 HydrophobicContact CG-CD1 4.14Å; F884-L1023 HydrophobicContact CG-CD2 4.21Å; F884-L1023 HydrophobicContact CZ-CD2 4.29Å
885	P	90.7	Very high	87.9	Confident	10 Å²	10	58.8 Å²	58.8	7%	0.065	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.4	-18.9	-178.6	24.6	-34.7	0	0	0	113.5	L642 N645 A646 L807 T883 L887 Y888	L642-P885 HydrophobicContact CD2-CG 4.13Å; L642-P885 WeakPolarHBondContact O-CB 3.34Å; N645-P885 HydrophobicContact CB-CB 4.4Å; N645-P885 HydrophobicContact CB-CG 3.65Å; A646-P885 WeakPolarHBondContact CA-O 3.5Å; A646-P885 HydrophobicContact CB-CB 4.05Å; L807-P885 HydrophobicContact CD1-CB 4.12Å; T883-P885 VanDerWaalsContact C-CD 3.41Å; T883-P885 WeakPolarHBondContact O-CD 3.41Å; P885-L887 PolarHBondContact O-N 2.73Å; P885-Y888 WeakPolarHBondContact O-CB 3.47Å; P885-Y888 PolarHBondContact O-N 3.28Å
886	D	89.3	Confident	87.7	Confident	86 Å²	86	58.5 Å²	58.5	46%	0.46	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-53.5	-26.6	173.1	-77	-42.3	0	0	0	113.7	N645 F884 Y888 K889	N645-D886 VanDerWaalsContact O-OD1 3.11Å; F884-D886 PolarHBondContact O-N 3.39Å; F884-D886 VanDerWaalsContact O-N 3.08Å; D886-Y888 PolarHBondContact O-N 3.15Å; D886-Y888 VanDerWaalsContact O-N 3.1Å; D886-K889 VanDerWaalsContact O-CB 3.32Å; D886-K889 WeakPolarHBondContact O-CB 3.46Å; D886-K889 PolarHBondContact O-N 3Å; D886-K889 WeakPolarHBondContact OD1-CE 3.04Å; D886-K889 IonicContact OD1-NZ 3.88Å; D886-K889 PolarHBondContact OD1-NZ 3.22Å
887	L	90.5	Very high	87.4	Confident	6 Å²	6	58.4 Å²	58.4	3%	0.031	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-57.7	-23.6	174.7	-75.5	176.9	0	0	0	113.1	R811 V880 F884 P885 N1019 L1023	R811-L887 PolarHBondContact NH1-O 3.04Å; V880-L887 HydrophobicContact CG1-CD1 4.45Å; F884-L887 HydrophobicContact CB-CD1 4.44Å; F884-L887 WeakPolarHBondContact O-CB 3.24Å; F884-L887 PolarHBondContact O-N 3.21Å; F884-L887 VanDerWaalsContact O-N 3.14Å; P885-L887 PolarHBondContact O-N 2.73Å; L887-N1019 HydrophobicContact CD2-CB 4.42Å; L887-L1023 HydrophobicContact CD1-CD1 4.05Å; L887-L1023 HydrophobicContact CD2-CD1 3.85Å; L887-L1023 HydrophobicContact CG-CD1 3.93Å
888	Y	92.2	Very high	87.2	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.02	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69.9	-34.3	175.5	-167.5	-92.9	0	0	0	112.4	L382 G383 R384 I385 A646 V648 L806 L807 P885 D886 D890 L891 V892	L382-Y888 PolarHBondContact O-OH 3.21Å; G383-Y888 VanDerWaalsContact C-CZ 3.5Å; G383-Y888 VanDerWaalsContact C-OH 3.22Å; R384-Y888 PolarHBondContact N-OH 3.2Å; R384-Y888 VanDerWaalsContact N-OH 3.14Å; I385-Y888 PolarHBondContact N-OH 3.04Å; I385-Y888 WeakPolarHBondContact O-CE1 3.44Å; A646-Y888 HydrophobicContact CB-CD1 4.13Å; A646-Y888 HydrophobicContact CB-CG 4.18Å; V648-Y888 HydrophobicContact CG2-CD1 4.43Å; V648-Y888 HydrophobicContact CG2-CE1 4.03Å; L806-Y888 HydrophobicContact CB-CE2 4.49Å; L806-Y888 WeakPolarHBondContact O-CE2 3.33Å; L807-Y888 HydrophobicContact CD2-CD2 3.82Å; L807-Y888 HydrophobicContact CD2-CG 3.91Å; P885-Y888 WeakPolarHBondContact O-CB 3.47Å; P885-Y888 PolarHBondContact O-N 3.28Å; D886-Y888 PolarHBondContact O-N 3.15Å; D886-Y888 VanDerWaalsContact O-N 3.1Å; Y888-D890 PolarHBondContact O-N 3.14Å; Y888-D890 VanDerWaalsContact O-N 3.1Å; Y888-L891 HydrophobicContact CD2-CD1 3.82Å; Y888-L891 HydrophobicContact CE2-CD1 4.23Å; Y888-L891 HydrophobicContact CG-CD1 4.35Å; Y888-L891 WeakPolarHBondContact O-CB 3.46Å; Y888-L891 PolarHBondContact O-N 2.64Å; Y888-V892 HydrophobicContact CD1-CG2 4.08Å; Y888-V892 HydrophobicContact CE1-CG2 3.94Å; Y888-V892 PolarHBondContact O-N 3.31Å
889	K	89.8	Confident	87	Confident	81 Å²	81	54.2 Å²	54.2	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-26.8	178.6	-64.8	175.1	173	153.2	0	112.9	N645 A646 D886 L891	N645-K889 WeakPolarHBondContact O-CE 3.22Å; N645-K889 PolarHBondContact O-NZ 2.86Å; A646-K889 WeakPolarHBondContact O-CG 3.25Å; D886-K889 VanDerWaalsContact O-CB 3.32Å; D886-K889 WeakPolarHBondContact O-CB 3.46Å; D886-K889 PolarHBondContact O-N 3Å; D886-K889 WeakPolarHBondContact OD1-CE 3.04Å; D886-K889 IonicContact OD1-NZ 3.88Å; D886-K889 PolarHBondContact OD1-NZ 3.22Å; K889-L891 VanDerWaalsContact C-N 3.33Å
890	D	86.8	Confident	86.9	Confident	30 Å²	30	53.3 Å²	53.3	16%	0.16	27%	0.265	C	S	.	.	H	α-helix	trans	-72.1	-27	177.4	-78.5	-19.4	0	0	0	113.1	Y888 K893 N1019	Y888-D890 PolarHBondContact O-N 3.14Å; Y888-D890 VanDerWaalsContact O-N 3.1Å; D890-K893 IonicContact OD1-NZ 3.36Å; D890-N1019 PolarHBondContact OD2-ND2 3.41Å
891	L	88.9	Confident	86.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-75.1	-43.1	179.6	-50.3	172.9	0	0	0	111	G383 R811 Y814 R815 Y888 K889 K893 G894	G383-L891 WeakPolarHBondContact O-CB 3.28Å; G383-L891 WeakPolarHBondContact O-CD1 3.48Å; R811-L891 HydrophobicContact CB-CD1 3.73Å; R811-L891 HydrophobicContact CG-CD1 3.87Å; R811-L891 HydrophobicContact CG-CD2 4.24Å; Y814-L891 HydrophobicContact CD1-CB 4.13Å; Y814-L891 HydrophobicContact CD1-CD2 4.02Å; Y814-L891 HydrophobicContact CE1-CB 4.33Å; Y814-L891 HydrophobicContact CE1-CD2 4.48Å; R815-L891 HydrophobicContact CG-CD2 3.85Å; Y888-L891 HydrophobicContact CD2-CD1 3.82Å; Y888-L891 HydrophobicContact CE2-CD1 4.23Å; Y888-L891 HydrophobicContact CG-CD1 4.35Å; Y888-L891 WeakPolarHBondContact O-CB 3.46Å; Y888-L891 PolarHBondContact O-N 2.64Å; K889-L891 VanDerWaalsContact C-N 3.33Å; L891-K893 PolarHBondContact O-N 3.03Å; L891-K893 VanDerWaalsContact O-N 3.14Å; L891-G894 PolarHBondContact O-N 3.48Å
892	V	84.8	Confident	86.5	Confident	35 Å²	35	54.2 Å²	54.2	21%	0.212	27%	0.27	C	S	.	.	H	α-helix	trans	-54.5	-33.2	179.7	171.9	0	0	0	0	112.3	Q386 Y888 G894	Q386-V892 HydrophobicContact CG-CB 4.49Å; Q386-V892 HydrophobicContact CG-CG1 3.48Å; Q386-V892 VanDerWaalsContact CG-CG1 3.48Å; Q386-V892 HydrophobicContact CG-CG2 4.16Å; Y888-V892 HydrophobicContact CD1-CG2 4.08Å; Y888-V892 HydrophobicContact CE1-CG2 3.94Å; Y888-V892 PolarHBondContact O-N 3.31Å; V892-G894 PolarHBondContact O-N 2.97Å
893	K	81.1	Confident	86.5	Confident	116 Å²	116	56.1 Å²	56.1	50%	0.504	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.6	179.2	-64.6	173.1	-173.3	162	0	114	D890 L891 R895	D890-K893 IonicContact OD1-NZ 3.36Å; L891-K893 PolarHBondContact O-N 3.03Å; L891-K893 VanDerWaalsContact O-N 3.14Å; K893-R895 HydrophobicContact CB-CG 3.89Å; K893-R895 PolarHBondContact O-N 3.41Å
894	G	79.4	Confident	86.4	Confident	15 Å²	15	54.5 Å²	54.5	16%	0.155	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	10	178.2	0	0	0	0	0	114.9	Y814 L891 V892 S896 L897 S898	Y814-G894 WeakPolarHBondContact OH-CA 3.42Å; L891-G894 PolarHBondContact O-N 3.48Å; V892-G894 PolarHBondContact O-N 2.97Å; G894-S896 PolarHBondContact O-N 3.35Å; G894-S896 VanDerWaalsContact O-N 3.16Å; G894-L897 PolarHBondContact O-N 3.5Å; G894-S898 PolarHBondContact O-N 3.15Å
895	R	76.1	Confident	86.3	Confident	158 Å²	158	52 Å²	52	60%	0.596	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30.2	-169.6	-70.4	178.7	176.6	-176.7	-3.3	113.3	K893 L897 S898 T901	K893-R895 HydrophobicContact CB-CG 3.89Å; K893-R895 PolarHBondContact O-N 3.41Å; R895-L897 VanDerWaalsContact C-N 3.3Å; R895-L897 PolarHBondContact O-N 3.15Å; R895-S898 PolarHBondContact O-N 3.41Å; R895-S898 PolarHBondContact O-OG 3.3Å; R895-T901 PolarHBondContact O-OG1 2.93Å
896	S	78.5	Confident	86.3	Confident	15 Å²	15	53.5 Å²	53.5	11%	0.105	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.8	-40.7	179.3	-55.9	0	0	0	0	112.1	R815 C818 Q822 G894	R815-S896 PolarHBondContact NH1-OG 3Å; R815-S896 VanDerWaalsContact NH1-OG 3.15Å; C818-S896 VanDerWaalsContact SG-CB 3.59Å; Q822-S896 PolarHBondContact NE2-O 2.94Å; G894-S896 PolarHBondContact O-N 3.35Å; G894-S896 VanDerWaalsContact O-N 3.16Å
897	L	82.1	Confident	86.5	Confident	13 Å²	13	54 Å²	54	7%	0.068	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-111.2	35.4	-179.4	-153.1	84.5	0	0	0	112.3	F296 E299 V300 L303 C818 G894 R895	F296-L897 HydrophobicContact CD2-CD2 4.3Å; F296-L897 HydrophobicContact CE2-CD1 4.35Å; F296-L897 HydrophobicContact CE2-CD2 4.06Å; E299-L897 HydrophobicContact CB-CD2 3.84Å; V300-L897 HydrophobicContact CG2-CD2 3.94Å; L303-L897 HydrophobicContact CD1-CD1 4.34Å; L303-L897 HydrophobicContact CD1-CD2 3.93Å; L303-L897 HydrophobicContact CD1-CG 3.86Å; C818-L897 HydrophobicContact CB-CD1 4.44Å; G894-L897 PolarHBondContact O-N 3.5Å; R895-L897 VanDerWaalsContact C-N 3.3Å; R895-L897 PolarHBondContact O-N 3.15Å
898	S	84.3	Confident	86.6	Confident	36 Å²	36	55.4 Å²	55.4	25%	0.252	27%	0.269	S	S	.	.			trans	-76.4	156.7	178.5	75.1	0	0	0	0	112.5	G894 R895 K900 T901 F902	G894-S898 PolarHBondContact O-N 3.15Å; R895-S898 PolarHBondContact O-N 3.41Å; R895-S898 PolarHBondContact O-OG 3.3Å; S898-K900 PolarHBondContact O-N 3.16Å; S898-K900 PolarHBondContact OG-N 3.4Å; S898-T901 PolarHBondContact O-N 3.38Å; S898-T901 PolarHBondContact OG-N 3.15Å; S898-T901 PolarHBondContact OG-OG1 3.32Å; S898-F902 PolarHBondContact O-N 2.88Å
899	L	84.5	Confident	86.7	Confident	97 Å²	97	55.1 Å²	55.1	51%	0.508	27%	0.269	S	S	.	.	H	α-helix	trans	-54.6	-34	172.3	-173.8	68.3	0	0	0	111.9	I306 F902 L903	I306-L899 HydrophobicContact CD1-CD1 3.89Å; L899-F902 HydrophobicContact CD1-CD1 4.16Å; L899-F902 PolarHBondContact O-N 3.35Å; L899-L903 HydrophobicContact CG-CD1 4.25Å; L899-L903 WeakPolarHBondContact O-CB 3.5Å; L899-L903 WeakPolarHBondContact O-CG 3.31Å; L899-L903 PolarHBondContact O-N 3.37Å
900	K	89.1	Confident	86.8	Confident	157 Å²	157	55.1 Å²	55.1	68%	0.683	27%	0.271	S	S	*	.	H	α-helix	trans	-63.1	-48.6	175.4	-178.2	178.6	-179.3	174.7	0	111.6	S898 F902 L903 I904	S898-K900 PolarHBondContact O-N 3.16Å; S898-K900 PolarHBondContact OG-N 3.4Å; K900-F902 VanDerWaalsContact C-N 3.31Å; K900-F902 PolarHBondContact O-N 3.02Å; K900-L903 PolarHBondContact O-N 3.39Å; K900-I904 HydrophobicContact CG-CD1 4.34Å; K900-I904 WeakPolarHBondContact O-CG1 3.22Å; K900-I904 PolarHBondContact O-N 3.43Å
901	T	87.2	Confident	87.2	Confident	35 Å²	35	57.6 Å²	57.6	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-40.6	179.3	-40.8	0	0	0	0	110.5	Q822 R895 S898 I904 W905	Q822-T901 VanDerWaalsContact NE2-CG2 3.26Å; R895-T901 PolarHBondContact O-OG1 2.93Å; S898-T901 PolarHBondContact O-N 3.38Å; S898-T901 PolarHBondContact OG-N 3.15Å; S898-T901 PolarHBondContact OG-OG1 3.32Å; T901-I904 PolarHBondContact O-N 3Å; T901-W905 VanDerWaalsContact O-CD1 3.29Å; T901-W905 PolarHBondContact O-N 3.46Å
902	F	87	Confident	87.4	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-45.4	173.3	171.6	-96.6	0	0	0	112.4	L303 I306 L307 I825 S898 L899 K900 I904 W905 F906	L303-F902 HydrophobicContact CD1-CD2 4.46Å; L303-F902 HydrophobicContact CD2-CB 4.16Å; L303-F902 HydrophobicContact CD2-CD1 4.34Å; L303-F902 HydrophobicContact CD2-CD2 4.1Å; L303-F902 HydrophobicContact CD2-CG 3.94Å; I306-F902 HydrophobicContact CG2-CE1 4.33Å; L307-F902 HydrophobicContact CD1-CE2 4.18Å; L307-F902 HydrophobicContact CD1-CZ 4.47Å; L307-F902 HydrophobicContact CD2-CE2 3.86Å; L307-F902 HydrophobicContact CD2-CZ 3.5Å; L307-F902 HydrophobicContact CG-CE2 3.99Å; L307-F902 HydrophobicContact CG-CZ 3.78Å; I825-F902 HydrophobicContact CG2-CD2 4.5Å; I825-F902 HydrophobicContact CG2-CE2 3.97Å; S898-F902 PolarHBondContact O-N 2.88Å; L899-F902 HydrophobicContact CD1-CD1 4.16Å; L899-F902 PolarHBondContact O-N 3.35Å; K900-F902 VanDerWaalsContact C-N 3.31Å; K900-F902 PolarHBondContact O-N 3.02Å; F902-I904 VanDerWaalsContact C-N 3.34Å; F902-I904 PolarHBondContact O-N 3.39Å; F902-W905 PolarHBondContact O-N 3.02Å; F902-F906 WeakPolarHBondContact O-CB 3.11Å; F902-F906 PolarHBondContact O-N 3.13Å
903	L	90.2	Very high	87.9	Confident	87 Å²	87	56 Å²	56	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-38	176.4	-80.3	166.3	0	0	0	112.8	L899 K900 F906 L907	L899-L903 HydrophobicContact CG-CD1 4.25Å; L899-L903 WeakPolarHBondContact O-CB 3.5Å; L899-L903 WeakPolarHBondContact O-CG 3.31Å; L899-L903 PolarHBondContact O-N 3.37Å; K900-L903 PolarHBondContact O-N 3.39Å; L903-F906 WeakPolarHBondContact O-CB 3.44Å; L903-F906 PolarHBondContact O-N 3.28Å; L903-L907 WeakPolarHBondContact O-CG 3.42Å; L903-L907 PolarHBondContact O-N 3.15Å
904	I	90.3	Very high	88.4	Confident	62 Å²	62	52 Å²	52	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-50.6	175	-68.4	165.6	0	0	0	110	K900 T901 F902 F906 L907 I908	K900-I904 HydrophobicContact CG-CD1 4.34Å; K900-I904 WeakPolarHBondContact O-CG1 3.22Å; K900-I904 PolarHBondContact O-N 3.43Å; T901-I904 PolarHBondContact O-N 3Å; F902-I904 VanDerWaalsContact C-N 3.34Å; F902-I904 PolarHBondContact O-N 3.39Å; I904-F906 VanDerWaalsContact C-N 3.29Å; I904-F906 PolarHBondContact O-N 3.18Å; I904-L907 PolarHBondContact O-N 2.91Å; I904-I908 HydrophobicContact CG2-CD1 3.9Å; I904-I908 VanDerWaalsContact O-CG1 3.29Å; I904-I908 WeakPolarHBondContact O-CG1 3.28Å; I904-I908 PolarHBondContact O-N 3.4Å
905	W	89.5	Confident	89.1	Confident	34 Å²	34	52.7 Å²	52.7	13%	0.129	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-36.7	176.8	-81	107.6	0	0	0	112.6	Q822 F823 H826 T901 F902 I908 S909 M946	Q822-W905 HydrophobicContact CB-CD2 4.46Å; Q822-W905 HydrophobicContact CB-CG 4.4Å; F823-W905 HydrophobicContact CD2-CH2 4.5Å; F823-W905 HydrophobicContact CE1-CH2 4.16Å; F823-W905 HydrophobicContact CE1-CZ3 4.4Å; F823-W905 HydrophobicContact CE2-CH2 4.05Å; F823-W905 AromaticContact CZ-CH2 3.86Å; F823-W905 HydrophobicContact CZ-CH2 3.86Å; H826-W905 HydrophobicContact CB-CE3 4.06Å; H826-W905 HydrophobicContact CB-CZ3 4.41Å; H826-W905 AromaticContact CG-CE3 3.92Å; T901-W905 VanDerWaalsContact O-CD1 3.29Å; T901-W905 PolarHBondContact O-N 3.46Å; F902-W905 PolarHBondContact O-N 3.02Å; W905-I908 PolarHBondContact O-N 3Å; W905-S909 WeakPolarHBondContact O-CB 3.43Å; W905-S909 PolarHBondContact O-N 3.11Å; W905-S909 PolarHBondContact O-OG 2.97Å; W905-M946 HydrophobicContact CZ3-CE 4.37Å
906	F	90.9	Very high	89.9	Confident	41 Å²	41	45.2 Å²	45.2	18%	0.18	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-48.4	174.2	176.5	-93.8	0	0	0	111.8	L310 L829 F902 L903 I904 I908 S909 M910	L310-F906 HydrophobicContact CD2-CD2 4.08Å; L310-F906 HydrophobicContact CD2-CE2 3.26Å; L310-F906 HydrophobicContact CD2-CZ 3.69Å; L829-F906 HydrophobicContact CD1-CB 4.39Å; L829-F906 HydrophobicContact CD1-CD2 3.83Å; L829-F906 HydrophobicContact CD2-CD2 3.68Å; L829-F906 HydrophobicContact CD2-CE2 3.75Å; L829-F906 HydrophobicContact CG-CD2 4.4Å; F902-F906 WeakPolarHBondContact O-CB 3.11Å; F902-F906 PolarHBondContact O-N 3.13Å; L903-F906 WeakPolarHBondContact O-CB 3.44Å; L903-F906 PolarHBondContact O-N 3.28Å; I904-F906 VanDerWaalsContact C-N 3.29Å; I904-F906 PolarHBondContact O-N 3.18Å; F906-I908 PolarHBondContact O-N 3.38Å; F906-S909 WeakPolarHBondContact O-CB 3.44Å; F906-S909 PolarHBondContact O-N 2.76Å; F906-M910 HydrophobicContact CE1-SD 4.32Å; F906-M910 WeakPolarHBondContact O-CB 3.23Å; F906-M910 PolarHBondContact O-N 3.47Å
907	L	93	Very high	90.5	Very high	95 Å²	95	44.5 Å²	44.5	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-40.2	177.8	-70.9	170.6	0	0	0	112.2	L903 I904 S909 M910 Y911	L903-L907 WeakPolarHBondContact O-CG 3.42Å; L903-L907 PolarHBondContact O-N 3.15Å; I904-L907 PolarHBondContact O-N 2.91Å; L907-S909 VanDerWaalsContact C-N 3.35Å; L907-M910 HydrophobicContact CD2-CE 3.8Å; L907-M910 PolarHBondContact O-N 3.15Å; L907-Y911 WeakPolarHBondContact O-CB 3.44Å; L907-Y911 PolarHBondContact O-N 3.41Å
908	I	92.6	Very high	90.8	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-47.4	174.4	-67.3	169.3	0	0	0	110.3	I904 W905 F906 M910 Y911 Q912 L1005	I904-I908 HydrophobicContact CG2-CD1 3.9Å; I904-I908 VanDerWaalsContact O-CG1 3.29Å; I904-I908 WeakPolarHBondContact O-CG1 3.28Å; I904-I908 PolarHBondContact O-N 3.4Å; W905-I908 PolarHBondContact O-N 3Å; F906-I908 PolarHBondContact O-N 3.38Å; I908-M910 VanDerWaalsContact C-N 3.32Å; I908-M910 PolarHBondContact O-N 2.98Å; I908-Y911 PolarHBondContact O-N 3.3Å; I908-Q912 WeakPolarHBondContact O-CG 3.36Å; I908-Q912 PolarHBondContact O-N 3.33Å; I908-L1005 HydrophobicContact CB-CD2 4.47Å; I908-L1005 HydrophobicContact CG1-CD2 3.98Å; I908-L1005 HydrophobicContact CG2-CD1 3.63Å; I908-L1005 HydrophobicContact CG2-CD2 4Å; I908-L1005 HydrophobicContact CG2-CG 4.46Å
909	S	93.9	Very high	90.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-44.7	178.1	-46.7	0	0	0	0	111.7	H826 L829 W905 F906 L907 G913	H826-S909 PolarHBondContact ND1-OG 3.07Å; L829-S909 VanDerWaalsContact CB-CB 3.46Å; W905-S909 WeakPolarHBondContact O-CB 3.43Å; W905-S909 PolarHBondContact O-N 3.11Å; W905-S909 PolarHBondContact O-OG 2.97Å; F906-S909 WeakPolarHBondContact O-CB 3.44Å; F906-S909 PolarHBondContact O-N 2.76Å; L907-S909 VanDerWaalsContact C-N 3.35Å; S909-G913 PolarHBondContact O-N 3.46Å
910	M	93	Very high	90.9	Very high	81 Å²	81	45.7 Å²	45.7	40%	0.399	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-42.8	179.8	-174.6	178.8	71.4	0	0	111.3	T833 F906 L907 I908 A914	T833-M910 HydrophobicContact CG2-CG 4.11Å; F906-M910 HydrophobicContact CE1-SD 4.32Å; F906-M910 WeakPolarHBondContact O-CB 3.23Å; F906-M910 PolarHBondContact O-N 3.47Å; L907-M910 HydrophobicContact CD2-CE 3.8Å; L907-M910 PolarHBondContact O-N 3.15Å; I908-M910 VanDerWaalsContact C-N 3.32Å; I908-M910 PolarHBondContact O-N 2.98Å; M910-A914 WeakPolarHBondContact O-CB 3.48Å; M910-A914 PolarHBondContact O-N 2.65Å
911	Y	94.6	Very high	90.6	Very high	82 Å²	82	39.9 Å²	39.9	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-53.9	175.8	171.3	-102.3	0	0	0	111.5	L907 I908 G913 A914 V915 I1000 P1004 L1005	L907-Y911 WeakPolarHBondContact O-CB 3.44Å; L907-Y911 PolarHBondContact O-N 3.41Å; I908-Y911 PolarHBondContact O-N 3.3Å; Y911-G913 PolarHBondContact O-N 2.91Å; Y911-A914 PolarHBondContact O-N 3Å; Y911-V915 HydrophobicContact CD2-CG2 4.02Å; Y911-V915 HydrophobicContact CE1-CG2 4.21Å; Y911-V915 HydrophobicContact CE2-CG2 3.58Å; Y911-V915 HydrophobicContact CG-CG2 4.5Å; Y911-V915 WeakPolarHBondContact O-CB 3.15Å; Y911-V915 VanDerWaalsContact O-CG2 3.31Å; Y911-V915 WeakPolarHBondContact O-CG2 3.26Å; Y911-V915 PolarHBondContact O-N 3.13Å; Y911-I1000 PolarHBondContact OH-O 3.49Å; Y911-P1004 WeakPolarHBondContact OH-CG 3.35Å; Y911-L1005 HydrophobicContact CD1-CD2 4.45Å
912	Q	94	Very high	90.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-44.2	-178.1	-68.8	-175	-54.3	0	0	111.8	H826 I830 I908 A914 V915 I916 S1001 L1005	H826-Q912 PolarHBondContact CE1-OE1 3.24Å; H826-Q912 PolarHBondContact NE2-OE1 2.77Å; H826-Q912 VanDerWaalsContact NE2-OE1 3.12Å; I830-Q912 HydrophobicContact CD1-CB 4.37Å; I830-Q912 HydrophobicContact CG1-CB 4.41Å; I908-Q912 WeakPolarHBondContact O-CG 3.36Å; I908-Q912 PolarHBondContact O-N 3.33Å; Q912-A914 PolarHBondContact O-N 2.95Å; Q912-V915 PolarHBondContact O-N 3.17Å; Q912-I916 WeakPolarHBondContact O-CB 3.44Å; Q912-I916 WeakPolarHBondContact O-CG1 3.02Å; Q912-I916 PolarHBondContact O-N 3.01Å; Q912-S1001 WeakPolarHBondContact CB-OG 3.42Å; Q912-S1001 WeakPolarHBondContact CG-OG 3.38Å; Q912-S1001 PolarHBondContact NE2-O 2.95Å; Q912-L1005 VanDerWaalsContact CD-CD1 3.42Å; Q912-L1005 HydrophobicContact CG-CD1 3.67Å
913	G	93.8	Very high	90.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-40.6	176.9	0	0	0	0	0	113	M834 S909 Y911 M917	M834-G913 WeakPolarHBondContact CG-O 3.25Å; S909-G913 PolarHBondContact O-N 3.46Å; Y911-G913 PolarHBondContact O-N 2.91Å; G913-M917 WeakPolarHBondContact O-CB 3.26Å; G913-M917 PolarHBondContact O-N 2.95Å; G913-M917 VanDerWaalsContact O-N 3.09Å
914	A	93	Very high	89.2	Confident	34 Å²	34	44.3 Å²	44.3	28%	0.281	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-44.3	176.7	0	0	0	0	0	112.1	T833 M910 Y911 Q912 M917 Y918	T833-A914 HydrophobicContact CG2-CB 4.46Å; M910-A914 WeakPolarHBondContact O-CB 3.48Å; M910-A914 PolarHBondContact O-N 2.65Å; Y911-A914 PolarHBondContact O-N 3Å; Q912-A914 PolarHBondContact O-N 2.95Å; A914-M917 PolarHBondContact O-N 3.21Å; A914-Y918 WeakPolarHBondContact O-CB 3.23Å; A914-Y918 PolarHBondContact O-N 3.45Å
915	V	93.2	Very high	88.3	Confident	29 Å²	29	49.8 Å²	49.8	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-46.1	178.2	167.9	0	0	0	0	111.3	Y911 Q912 M917 G919 I1000	Y911-V915 HydrophobicContact CD2-CG2 4.02Å; Y911-V915 HydrophobicContact CE1-CG2 4.21Å; Y911-V915 HydrophobicContact CE2-CG2 3.58Å; Y911-V915 HydrophobicContact CG-CG2 4.5Å; Y911-V915 WeakPolarHBondContact O-CB 3.15Å; Y911-V915 VanDerWaalsContact O-CG2 3.31Å; Y911-V915 WeakPolarHBondContact O-CG2 3.26Å; Y911-V915 PolarHBondContact O-N 3.13Å; Q912-V915 PolarHBondContact O-N 3.17Å; V915-M917 PolarHBondContact O-N 2.62Å; V915-G919 VanDerWaalsContact O-CA 3.24Å; V915-G919 WeakPolarHBondContact O-CA 3.46Å; V915-G919 PolarHBondContact O-N 3.25Å; V915-I1000 HydrophobicContact CG1-CB 4.28Å; V915-I1000 HydrophobicContact CG1-CG2 3.75Å
916	I	92.6	Very high	87.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-43.8	179.5	-66.5	168.7	0	0	0	110.2	M834 Q912 G920 T942 L997	M834-I916 HydrophobicContact CE-CB 4.22Å; M834-I916 HydrophobicContact CE-CG2 3.38Å; M834-I916 HydrophobicContact SD-CG2 4.12Å; Q912-I916 WeakPolarHBondContact O-CB 3.44Å; Q912-I916 WeakPolarHBondContact O-CG1 3.02Å; Q912-I916 PolarHBondContact O-N 3.01Å; I916-G920 WeakPolarHBondContact O-CA 3.5Å; I916-G920 PolarHBondContact O-N 3.14Å; I916-T942 HydrophobicContact CD1-CG2 4.36Å; I916-L997 HydrophobicContact CB-CD2 4.11Å; I916-L997 HydrophobicContact CG1-CD2 4.37Å; I916-L997 HydrophobicContact CG2-CD2 3.76Å; I916-L997 WeakPolarHBondContact O-CD2 3.19Å
917	M	91.7	Very high	86.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-76.3	-50.2	-176.8	-168.2	65.8	-138.4	0	0	112.8	M834 V837 F838 L849 G913 A914 V915 G920 I921 I931	M834-M917 HydrophobicContact CB-CB 4.33Å; M834-M917 HydrophobicContact CG-CB 4.35Å; V837-M917 HydrophobicContact CB-CB 4.15Å; V837-M917 HydrophobicContact CB-CG 3.93Å; V837-M917 HydrophobicContact CG1-CB 3.98Å; V837-M917 HydrophobicContact CG1-CG 3.71Å; F838-M917 HydrophobicContact CB-CE 4.07Å; F838-M917 HydrophobicContact CB-CG 4.49Å; F838-M917 HydrophobicContact CB-SD 4.19Å; F838-M917 HydrophobicContact CD2-CE 3.69Å; F838-M917 HydrophobicContact CG-CE 4.35Å; L849-M917 HydrophobicContact CD1-CE 4.25Å; L849-M917 HydrophobicContact CD1-SD 4.2Å; L849-M917 HydrophobicContact CD2-SD 3.81Å; G913-M917 WeakPolarHBondContact O-CB 3.26Å; G913-M917 PolarHBondContact O-N 2.95Å; G913-M917 VanDerWaalsContact O-N 3.09Å; A914-M917 PolarHBondContact O-N 3.21Å; V915-M917 PolarHBondContact O-N 2.62Å; M917-G920 PolarHBondContact O-N 2.93Å; M917-I921 HydrophobicContact CE-CD1 3.54Å; M917-I921 HydrophobicContact CE-CG1 3.88Å; M917-I921 WeakPolarHBondContact O-CG1 3.39Å; M917-I921 PolarHBondContact O-N 3.1Å; M917-I921 VanDerWaalsContact O-N 3.12Å; M917-I931 HydrophobicContact CE-CD1 3.59Å; M917-I931 HydrophobicContact CE-CG1 4.46Å
918	Y	88.5	Confident	85.6	Confident	151 Å²	151	53 Å²	53	59%	0.592	27%	0.266	S	S	*	.	H	α-helix	trans	-70.4	-44.4	-178.5	-173.4	-100.8	0	0	0	111.5	A914 G920 I921 F922	A914-Y918 WeakPolarHBondContact O-CB 3.23Å; A914-Y918 PolarHBondContact O-N 3.45Å; Y918-G920 VanDerWaalsContact C-N 3.29Å; Y918-G920 PolarHBondContact O-N 3.49Å; Y918-I921 PolarHBondContact O-N 2.9Å; Y918-I921 VanDerWaalsContact O-N 3.16Å; Y918-F922 WeakPolarHBondContact O-CB 3.21Å; Y918-F922 PolarHBondContact O-N 3.12Å
919	G	86.6	Confident	84.9	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-39.3	172.8	0	0	0	0	0	111.6	V915 I921 F922 L923	V915-G919 VanDerWaalsContact O-CA 3.24Å; V915-G919 WeakPolarHBondContact O-CA 3.46Å; V915-G919 PolarHBondContact O-N 3.25Å; G919-I921 VanDerWaalsContact C-N 3.28Å; G919-I921 PolarHBondContact O-N 3.36Å; G919-F922 PolarHBondContact O-N 2.99Å; G919-L923 VanDerWaalsContact O-CB 3.3Å; G919-L923 WeakPolarHBondContact O-CB 3.47Å; G919-L923 PolarHBondContact O-N 3.26Å
920	G	84.1	Confident	84.3	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-31	174.7	0	0	0	0	0	113.9	I916 M917 Y918 F924	I916-G920 WeakPolarHBondContact O-CA 3.5Å; I916-G920 PolarHBondContact O-N 3.14Å; M917-G920 PolarHBondContact O-N 2.93Å; Y918-G920 VanDerWaalsContact C-N 3.29Å; Y918-G920 PolarHBondContact O-N 3.49Å; G920-F924 WeakPolarHBondContact O-CB 3.42Å; G920-F924 WeakPolarHBondContact O-CD2 3.38Å
921	I	83.3	Confident	83.9	Confident	34 Å²	34	57 Å²	57	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-79.7	-49	174.7	-68.8	168.9	0	0	0	110.4	I841 M917 Y918 G919 L923 F924 E925 I931	I841-I921 HydrophobicContact CD1-CD1 3.3Å; I841-I921 HydrophobicContact CG1-CD1 4.47Å; I841-I921 HydrophobicContact CG2-CD1 4.23Å; M917-I921 HydrophobicContact CE-CD1 3.54Å; M917-I921 HydrophobicContact CE-CG1 3.88Å; M917-I921 WeakPolarHBondContact O-CG1 3.39Å; M917-I921 PolarHBondContact O-N 3.1Å; M917-I921 VanDerWaalsContact O-N 3.12Å; Y918-I921 PolarHBondContact O-N 2.9Å; Y918-I921 VanDerWaalsContact O-N 3.16Å; G919-I921 VanDerWaalsContact C-N 3.28Å; G919-I921 PolarHBondContact O-N 3.36Å; I921-L923 PolarHBondContact O-N 2.89Å; I921-F924 CarbonylContact O-C 3.57Å; I921-F924 PolarHBondContact O-N 2.77Å; I921-E925 PolarHBondContact O-N 2.91Å; I921-I931 HydrophobicContact CD1-CD1 4.42Å; I921-I931 HydrophobicContact CG1-CD1 3.56Å
922	F	84.5	Confident	83.5	Confident	156 Å²	156	54.9 Å²	54.9	68%	0.684	28%	0.282	S	S	*	.	H	α-helix	trans	-62.3	-44.5	-175	-179.1	-98.1	0	0	0	112.6	Y918 G919 F924	Y918-F922 WeakPolarHBondContact O-CB 3.21Å; Y918-F922 PolarHBondContact O-N 3.12Å; G919-F922 PolarHBondContact O-N 2.99Å; F922-F924 PolarHBondContact O-N 3.37Å
923	L	80.3	Confident	83.1	Confident	69 Å²	69	55.1 Å²	55.1	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.5	-177	-130.9	115.1	0	0	0	111.8	G919 I921 V996	G919-L923 VanDerWaalsContact O-CB 3.3Å; G919-L923 WeakPolarHBondContact O-CB 3.47Å; G919-L923 PolarHBondContact O-N 3.26Å; I921-L923 PolarHBondContact O-N 2.89Å; L923-V996 HydrophobicContact CD1-CG1 4.27Å
924	F	70.3	Confident	82.8	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	35.8	-166	-47.6	-45.3	0	0	0	115.4	G920 I921 F922 S926 D927 I934 K993 L997	G920-F924 WeakPolarHBondContact O-CB 3.42Å; G920-F924 WeakPolarHBondContact O-CD2 3.38Å; I921-F924 CarbonylContact O-C 3.57Å; I921-F924 PolarHBondContact O-N 2.77Å; F922-F924 PolarHBondContact O-N 3.37Å; F924-S926 PolarHBondContact O-N 3.16Å; F924-D927 PolarHBondContact O-N 3.39Å; F924-I934 HydrophobicContact CD2-CD1 3.93Å; F924-I934 HydrophobicContact CD2-CG2 4.27Å; F924-I934 HydrophobicContact CE2-CD1 4.3Å; F924-I934 HydrophobicContact CE2-CG2 3.78Å; F924-I934 HydrophobicContact CG-CD1 4.24Å; F924-K993 HydrophobicContact CD1-CB 4.47Å; F924-K993 HydrophobicContact CD1-CD 3.32Å; F924-K993 HydrophobicContact CD1-CG 3.93Å; F924-K993 HydrophobicContact CE1-CB 3.49Å; F924-K993 VanDerWaalsContact CE1-CB 3.49Å; F924-K993 HydrophobicContact CE1-CD 3.04Å; F924-K993 HydrophobicContact CE1-CG 3.08Å; F924-K993 HydrophobicContact CE2-CB 4.17Å; F924-K993 HydrophobicContact CG-CD 4.31Å; F924-K993 HydrophobicContact CZ-CB 3.27Å; F924-K993 HydrophobicContact CZ-CD 3.76Å; F924-K993 HydrophobicContact CZ-CG 3.5Å; F924-L997 HydrophobicContact CE2-CD1 3.73Å; F924-L997 HydrophobicContact CZ-CD1 4.1Å
925	E	70.5	Confident	82.6	Confident	178 Å²	178	53.6 Å²	53.6	83%	0.832	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-53.7	-30	178.4	-147.1	174.1	-157.7	0	0	113	I921	I921-E925 PolarHBondContact O-N 2.91Å
926	S	69.3	Low	82.5	Confident	104 Å²	104	52.2 Å²	52.2	73%	0.727	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-81.2	-21	179	51.2	0	0	0	0	116	F924	F924-S926 PolarHBondContact O-N 3.16Å
927	D	71.4	Confident	82.5	Confident	47 Å²	47	52.5 Å²	52.5	25%	0.251	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-120.1	34.3	-173.5	-66.8	-41	0	0	0	112.2	F924 I929 H930 K993	F924-D927 PolarHBondContact O-N 3.39Å; D927-I929 PolarHBondContact O-N 3.16Å; D927-H930 PolarHBondContact O-N 2.89Å; D927-K993 IonicContact OD2-NZ 2.71Å; D927-K993 PolarHBondContact OD2-NZ 3Å
928	F	76.6	Confident	82.5	Confident	85 Å²	85	52.4 Å²	52.4	37%	0.373	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-55.4	-30.4	-171.9	-175.2	-98.2	0	0	0	113.9	F838 F842 H930 I931	F838-F928 HydrophobicContact CE2-CZ 4.42Å; F842-F928 HydrophobicContact CE1-CE1 4.28Å; F842-F928 AromaticContact CE1-CZ 3.95Å; F842-F928 HydrophobicContact CE1-CZ 3.95Å; F842-F928 HydrophobicContact CE2-CE2 4.05Å; F842-F928 AromaticContact CE2-CZ 3.66Å; F842-F928 HydrophobicContact CE2-CZ 3.66Å; F842-F928 AromaticContact CZ-CE1 3.8Å; F842-F928 HydrophobicContact CZ-CE1 3.8Å; F842-F928 AromaticContact CZ-CE2 3.58Å; F842-F928 HydrophobicContact CZ-CE2 3.58Å; F842-F928 AromaticContact CZ-CZ 3.06Å; F842-F928 HydrophobicContact CZ-CZ 3.06Å; F928-H930 PolarHBondContact O-N 3.15Å; F928-I931 HydrophobicContact CD2-CD1 4.09Å; F928-I931 HydrophobicContact CE2-CB 4.49Å; F928-I931 HydrophobicContact CE2-CD1 3.66Å; F928-I931 HydrophobicContact CE2-CG2 4.18Å; F928-I931 HydrophobicContact CZ-CG2 4.18Å; F928-I931 VanDerWaalsContact O-CB 3.3Å; F928-I931 WeakPolarHBondContact O-CB 3.19Å; F928-I931 WeakPolarHBondContact O-CG2 3.48Å; F928-I931 PolarHBondContact O-N 3.3Å; F928-I931 VanDerWaalsContact O-N 3.13Å
929	I	77.1	Confident	82.8	Confident	154 Å²	154	45.2 Å²	45.2	79%	0.79	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-59.1	-32	177.8	-60.4	171.4	0	0	0	111.8	D927	D927-I929 PolarHBondContact O-N 3.16Å
930	H	81.9	Confident	83.1	Confident	37 Å²	37	44.4 Å²	44.4	17%	0.171	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-95	9.2	-177.8	-58.6	-61.2	0	0	0	113.7	D927 F928 V932 S933 I934 D981 Y984	D927-H930 PolarHBondContact O-N 2.89Å; F928-H930 PolarHBondContact O-N 3.15Å; H930-V932 PolarHBondContact O-N 2.64Å; H930-V932 VanDerWaalsContact O-N 3.17Å; H930-S933 PolarHBondContact O-N 2.82Å; H930-I934 PolarHBondContact O-N 3.35Å; H930-D981 IonicContact CE1-OD2 3.79Å; H930-D981 PolarHBondContact CE1-OD2 3.45Å; H930-Y984 HydrophobicContact CB-CD1 3.74Å; H930-Y984 HydrophobicContact CB-CE1 3.64Å; H930-Y984 HydrophobicContact CB-CG 4.27Å; H930-Y984 AromaticContact CD2-CD2 3.62Å; H930-Y984 AromaticContact CD2-CE2 3.92Å; H930-Y984 AromaticContact CD2-CG 3.73Å; H930-Y984 AromaticContact CG-CD1 3.74Å; H930-Y984 AromaticContact CG-CG 3.77Å; H930-Y984 AromaticContact NE2-CD2 3.98Å
931	I	84.4	Confident	83.6	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-35.9	-177.4	-165.8	167.7	0	0	0	112.8	M917 I921 F928 S933 S935	M917-I931 HydrophobicContact CE-CD1 3.59Å; M917-I931 HydrophobicContact CE-CG1 4.46Å; I921-I931 HydrophobicContact CD1-CD1 4.42Å; I921-I931 HydrophobicContact CG1-CD1 3.56Å; F928-I931 HydrophobicContact CD2-CD1 4.09Å; F928-I931 HydrophobicContact CE2-CB 4.49Å; F928-I931 HydrophobicContact CE2-CD1 3.66Å; F928-I931 HydrophobicContact CE2-CG2 4.18Å; F928-I931 HydrophobicContact CZ-CG2 4.18Å; F928-I931 VanDerWaalsContact O-CB 3.3Å; F928-I931 WeakPolarHBondContact O-CB 3.19Å; F928-I931 WeakPolarHBondContact O-CG2 3.48Å; F928-I931 PolarHBondContact O-N 3.3Å; F928-I931 VanDerWaalsContact O-N 3.13Å; I931-S933 PolarHBondContact O-N 2.87Å; I931-S935 VanDerWaalsContact O-CB 3.23Å; I931-S935 WeakPolarHBondContact O-CB 3.38Å; I931-S935 PolarHBondContact O-N 3.45Å; I931-S935 PolarHBondContact O-OG 3.5Å
932	V	86.1	Confident	84	Confident	36 Å²	36	45.5 Å²	45.5	22%	0.218	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-42.8	177.9	169.7	0	0	0	0	111.1	Y850 L854 H930 F936	Y850-V932 HydrophobicContact CD1-CG1 3.97Å; Y850-V932 HydrophobicContact CE1-CG1 4.28Å; L854-V932 HydrophobicContact CD1-CG1 4.26Å; H930-V932 PolarHBondContact O-N 2.64Å; H930-V932 VanDerWaalsContact O-N 3.17Å; V932-F936 WeakPolarHBondContact O-CB 3.44Å; V932-F936 PolarHBondContact O-N 3.06Å; V932-F936 VanDerWaalsContact O-N 3.1Å
933	S	86.1	Confident	84.4	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-46	-178.5	-61.6	0	0	0	0	110.8	H930 I931 T937 F980	H930-S933 PolarHBondContact O-N 2.82Å; I931-S933 PolarHBondContact O-N 2.87Å; S933-T937 VanDerWaalsContact O-CB 3.3Å; S933-T937 WeakPolarHBondContact O-CB 3.3Å; S933-T937 PolarHBondContact O-N 3.29Å; S933-T937 PolarHBondContact O-OG1 3.49Å; S933-F980 WeakPolarHBondContact OG-CD1 3.25Å
934	I	86.6	Confident	85	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-72.1	-48	-175.7	-55.9	167.2	0	0	0	111.3	F924 H930 T937 S938 Y984 F990	F924-I934 HydrophobicContact CD2-CD1 3.93Å; F924-I934 HydrophobicContact CD2-CG2 4.27Å; F924-I934 HydrophobicContact CE2-CD1 4.3Å; F924-I934 HydrophobicContact CE2-CG2 3.78Å; F924-I934 HydrophobicContact CG-CD1 4.24Å; H930-I934 PolarHBondContact O-N 3.35Å; I934-T937 PolarHBondContact O-N 3.04Å; I934-S938 WeakPolarHBondContact O-CB 3.43Å; I934-S938 PolarHBondContact O-N 2.9Å; I934-S938 PolarHBondContact O-OG 3.42Å; I934-Y984 HydrophobicContact CD1-CE1 3.88Å; I934-Y984 WeakPolarHBondContact CD1-OH 3.34Å; I934-Y984 HydrophobicContact CG1-CE1 3.93Å; I934-F990 HydrophobicContact CG1-CD2 3.98Å; I934-F990 HydrophobicContact CG1-CE2 4.31Å
935	S	90.5	Very high	86	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-38.7	-177.1	61.2	0	0	0	0	111.4	Y850 I931 S938 L939	Y850-S935 PolarHBondContact OH-OG 3.28Å; Y850-S935 VanDerWaalsContact OH-OG 3.14Å; I931-S935 VanDerWaalsContact O-CB 3.23Å; I931-S935 WeakPolarHBondContact O-CB 3.38Å; I931-S935 PolarHBondContact O-N 3.45Å; I931-S935 PolarHBondContact O-OG 3.5Å; S935-S938 PolarHBondContact O-N 3.41Å; S935-L939 VanDerWaalsContact O-CB 3.31Å; S935-L939 WeakPolarHBondContact O-CB 3.29Å; S935-L939 PolarHBondContact O-N 2.9Å
936	F	91.4	Very high	86.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.6	-39.7	175.8	-165.4	-101.7	0	0	0	112.7	Y850 L854 Y858 Y862 V932 L939 V940 Y969 F980	Y850-F936 HydrophobicContact CD1-CB 4.44Å; Y850-F936 HydrophobicContact CD1-CD2 4.02Å; Y850-F936 HydrophobicContact CD2-CD2 4.33Å; Y850-F936 HydrophobicContact CE1-CB 3.76Å; Y850-F936 AromaticContact CE1-CD2 3.87Å; Y850-F936 HydrophobicContact CE1-CD2 3.87Å; Y850-F936 HydrophobicContact CE1-CG 4.27Å; Y850-F936 HydrophobicContact CE2-CD2 4.17Å; Y850-F936 HydrophobicContact CG-CD2 4.24Å; Y850-F936 AromaticContact CZ-CD2 3.92Å; Y850-F936 PolarHBondContact OH-N 2.96Å; L854-F936 HydrophobicContact CB-CE2 4Å; L854-F936 HydrophobicContact CB-CZ 3.91Å; L854-F936 HydrophobicContact CD1-CD1 4.38Å; L854-F936 HydrophobicContact CD1-CD2 4.47Å; L854-F936 HydrophobicContact CD1-CE1 4.46Å; L854-F936 HydrophobicContact CD1-CG 4.38Å; L854-F936 HydrophobicContact CD2-CD1 4.42Å; L854-F936 HydrophobicContact CD2-CE1 3.86Å; L854-F936 HydrophobicContact CD2-CZ 4.05Å; L854-F936 HydrophobicContact CG-CZ 4.39Å; Y858-F936 HydrophobicContact CD2-CE2 4.37Å; Y858-F936 HydrophobicContact CD2-CZ 4.33Å; Y858-F936 HydrophobicContact CG-CE2 4.45Å; Y858-F936 HydrophobicContact CG-CZ 4.49Å; Y862-F936 AromaticContact CD2-CE1 3.94Å; Y862-F936 HydrophobicContact CD2-CE1 3.94Å; Y862-F936 HydrophobicContact CD2-CZ 4.06Å; Y862-F936 AromaticContact CE2-CE1 3.78Å; Y862-F936 HydrophobicContact CE2-CE1 3.78Å; Y862-F936 HydrophobicContact CE2-CZ 4.07Å; V932-F936 WeakPolarHBondContact O-CB 3.44Å; V932-F936 PolarHBondContact O-N 3.06Å; V932-F936 VanDerWaalsContact O-N 3.1Å; F936-L939 HydrophobicContact CD2-CD2 4.45Å; F936-L939 WeakPolarHBondContact O-CB 3.36Å; F936-L939 PolarHBondContact O-N 3.47Å; F936-V940 HydrophobicContact CD1-CG2 4.32Å; F936-V940 HydrophobicContact CE1-CG2 4.09Å; F936-V940 HydrophobicContact CZ-CG2 4.49Å; F936-V940 WeakPolarHBondContact O-CG2 3.37Å; F936-V940 PolarHBondContact O-N 2.97Å; F936-Y969 AromaticContact CD1-CE2 3.92Å; F936-Y969 HydrophobicContact CD1-CE2 3.92Å; F936-Y969 AromaticContact CE1-CE2 3.8Å; F936-Y969 HydrophobicContact CE1-CE2 3.8Å; F936-F980 HydrophobicContact CD1-CE1 4.46Å; F936-F980 HydrophobicContact CD1-CZ 4.08Å; F936-F980 HydrophobicContact CE1-CZ 4.45Å
937	T	91.8	Very high	87.8	Confident	5 Å²	5	25.5 Å²	25.5	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-44.3	174.3	-54.7	0	0	0	0	110.9	S933 I934 L939 V940 I941 Y969 F990 T994	S933-T937 VanDerWaalsContact O-CB 3.3Å; S933-T937 WeakPolarHBondContact O-CB 3.3Å; S933-T937 PolarHBondContact O-N 3.29Å; S933-T937 PolarHBondContact O-OG1 3.49Å; I934-T937 PolarHBondContact O-N 3.04Å; T937-L939 VanDerWaalsContact C-N 3.33Å; T937-L939 PolarHBondContact O-N 3.22Å; T937-V940 PolarHBondContact O-N 3.04Å; T937-I941 HydrophobicContact CG2-CD1 3.91Å; T937-I941 WeakPolarHBondContact O-CG1 3.49Å; T937-I941 PolarHBondContact O-N 3.17Å; T937-Y969 WeakPolarHBondContact CA-OH 3.47Å; T937-Y969 WeakPolarHBondContact CB-OH 3.44Å; T937-Y969 HydrophobicContact CG2-CE1 3.93Å; T937-Y969 PolarHBondContact N-OH 3.02Å; T937-Y969 PolarHBondContact OG1-OH 3.48Å; T937-F990 HydrophobicContact CG2-CE1 4.28Å; T937-F990 HydrophobicContact CG2-CZ 3.69Å; T937-F990 VanDerWaalsContact OG1-CZ 3.3Å; T937-F990 WeakPolarHBondContact OG1-CZ 3.31Å; T937-T994 HydrophobicContact CG2-CG2 3.67Å
938	S	92.5	Very high	88.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-38.7	177.9	-54.6	0	0	0	0	111.6	I934 S935 T942 T998	I934-S938 WeakPolarHBondContact O-CB 3.43Å; I934-S938 PolarHBondContact O-N 2.9Å; I934-S938 PolarHBondContact O-OG 3.42Å; S935-S938 PolarHBondContact O-N 3.41Å; S938-T942 WeakPolarHBondContact O-CB 3.17Å; S938-T942 PolarHBondContact O-N 2.89Å; S938-T942 PolarHBondContact O-OG1 3.34Å; S938-T998 WeakPolarHBondContact O-CG2 3.35Å
939	L	93.8	Very high	89.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-52.5	173.7	175.5	64.6	0	0	0	111.9	I830 I831 M834 Y850 Y858 S935 F936 T937 I941 T942 E943	I830-L939 HydrophobicContact CB-CD1 4.25Å; I830-L939 HydrophobicContact CG2-CD1 3.33Å; I831-L939 HydrophobicContact CD1-CD2 4.27Å; I831-L939 HydrophobicContact CG1-CD2 3.82Å; M834-L939 HydrophobicContact SD-CB 4.48Å; M834-L939 HydrophobicContact SD-CD1 4.08Å; M834-L939 HydrophobicContact SD-CD2 4.2Å; M834-L939 HydrophobicContact SD-CG 4.5Å; Y850-L939 HydrophobicContact CE2-CD2 4.38Å; Y858-L939 HydrophobicContact CD2-CD2 4.4Å; Y858-L939 HydrophobicContact CE2-CD2 3.85Å; Y858-L939 HydrophobicContact CE2-CG 3.79Å; Y858-L939 WeakPolarHBondContact OH-CD1 3.3Å; S935-L939 VanDerWaalsContact O-CB 3.31Å; S935-L939 WeakPolarHBondContact O-CB 3.29Å; S935-L939 PolarHBondContact O-N 2.9Å; F936-L939 HydrophobicContact CD2-CD2 4.45Å; F936-L939 WeakPolarHBondContact O-CB 3.36Å; F936-L939 PolarHBondContact O-N 3.47Å; T937-L939 VanDerWaalsContact C-N 3.33Å; T937-L939 PolarHBondContact O-N 3.22Å; L939-I941 PolarHBondContact O-N 3.15Å; L939-T942 PolarHBondContact O-N 2.91Å; L939-E943 WeakPolarHBondContact O-CG 3.37Å; L939-E943 PolarHBondContact O-N 3.41Å
940	V	93.7	Very high	89.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.1	-48.7	-179.2	173.1	0	0	0	0	110.8	Y858 F936 T937 T942 E943 L944 Y969	Y858-V940 HydrophobicContact CD2-CG2 3.97Å; Y858-V940 HydrophobicContact CE2-CG2 4.2Å; F936-V940 HydrophobicContact CD1-CG2 4.32Å; F936-V940 HydrophobicContact CE1-CG2 4.09Å; F936-V940 HydrophobicContact CZ-CG2 4.49Å; F936-V940 WeakPolarHBondContact O-CG2 3.37Å; F936-V940 PolarHBondContact O-N 2.97Å; T937-V940 PolarHBondContact O-N 3.04Å; V940-T942 VanDerWaalsContact C-N 3.35Å; V940-T942 PolarHBondContact O-N 3.27Å; V940-E943 PolarHBondContact O-N 2.95Å; V940-L944 HydrophobicContact CG1-CD1 4.04Å; V940-L944 HydrophobicContact CG1-CG 4.48Å; V940-L944 VanDerWaalsContact O-CG 3.3Å; V940-L944 WeakPolarHBondContact O-CG 3.19Å; V940-L944 PolarHBondContact O-N 2.83Å; V940-L944 VanDerWaalsContact O-N 3.11Å; V940-Y969 HydrophobicContact CB-CD1 4.33Å; V940-Y969 HydrophobicContact CB-CE1 4.16Å; V940-Y969 HydrophobicContact CG1-CD1 3.88Å; V940-Y969 HydrophobicContact CG1-CD2 4.35Å; V940-Y969 HydrophobicContact CG1-CE1 4.23Å; V940-Y969 HydrophobicContact CG1-CG 3.95Å; V940-Y969 HydrophobicContact CG2-CD2 4.3Å; V940-Y969 HydrophobicContact CG2-CE1 4.47Å; V940-Y969 HydrophobicContact CG2-CE2 4.06Å
941	I	92.9	Very high	89.6	Confident	60 Å²	60	16.2 Å²	16.2	31%	0.308	9%	0.091	S	C	.	.	H	α-helix	trans	-64.6	-40.3	-179.4	-66.4	173.6	0	0	0	111.3	T937 L939 E943 L944 I945 T994 T998	T937-I941 HydrophobicContact CG2-CD1 3.91Å; T937-I941 WeakPolarHBondContact O-CG1 3.49Å; T937-I941 PolarHBondContact O-N 3.17Å; L939-I941 PolarHBondContact O-N 3.15Å; I941-E943 VanDerWaalsContact C-N 3.33Å; I941-E943 PolarHBondContact O-N 3.23Å; I941-L944 PolarHBondContact O-N 3.3Å; I941-I945 HydrophobicContact CG2-CD1 3.69Å; I941-I945 HydrophobicContact CG2-CG1 4.3Å; I941-I945 VanDerWaalsContact O-CG1 3.32Å; I941-I945 WeakPolarHBondContact O-CG1 3.4Å; I941-I945 PolarHBondContact O-N 3.46Å; I941-T994 HydrophobicContact CD1-CG2 3.93Å; I941-T998 HydrophobicContact CB-CG2 3.88Å; I941-T998 HydrophobicContact CG2-CG2 3.79Å
942	T	93.1	Very high	89.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-44.4	177.9	-63.9	0	0	0	0	110.9	I916 S938 L939 V940 I945 M946	I916-T942 HydrophobicContact CD1-CG2 4.36Å; S938-T942 WeakPolarHBondContact O-CB 3.17Å; S938-T942 PolarHBondContact O-N 2.89Å; S938-T942 PolarHBondContact O-OG1 3.34Å; L939-T942 PolarHBondContact O-N 2.91Å; V940-T942 VanDerWaalsContact C-N 3.35Å; V940-T942 PolarHBondContact O-N 3.27Å; T942-I945 PolarHBondContact O-N 2.95Å; T942-M946 HydrophobicContact CG2-CG 4.46Å; T942-M946 WeakPolarHBondContact O-CB 3.46Å; T942-M946 VanDerWaalsContact O-CG 3.24Å; T942-M946 WeakPolarHBondContact O-CG 3.23Å; T942-M946 PolarHBondContact O-N 3.47Å
943	E	92.2	Very high	89.6	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-45.3	176.9	-74.4	-73.2	175.2	0	0	112.8	H826 R827 I830 Y858 T863 L939 V940 I941 I945 M946 V947	H826-E943 IonicContact CD2-OE1 2.68Å; H826-E943 IonicContact CD2-OE2 3.85Å; R827-E943 WeakPolarHBondContact CA-OE1 3.47Å; I830-E943 WeakPolarHBondContact CD1-OE1 3.26Å; Y858-E943 HydrophobicContact CE2-CG 4.43Å; Y858-E943 VanDerWaalsContact OH-CG 3.22Å; Y858-E943 WeakPolarHBondContact OH-CG 3.4Å; Y858-E943 PolarHBondContact OH-OE1 2.91Å; T863-E943 HydrophobicContact CG2-CB 4.15Å; L939-E943 WeakPolarHBondContact O-CG 3.37Å; L939-E943 PolarHBondContact O-N 3.41Å; V940-E943 PolarHBondContact O-N 2.95Å; I941-E943 VanDerWaalsContact C-N 3.33Å; I941-E943 PolarHBondContact O-N 3.23Å; E943-I945 VanDerWaalsContact C-N 3.34Å; E943-I945 PolarHBondContact O-N 3.35Å; E943-M946 PolarHBondContact O-N 2.95Å; E943-M946 VanDerWaalsContact O-N 3.17Å; E943-V947 WeakPolarHBondContact O-CG2 3.36Å; E943-V947 PolarHBondContact O-N 3.28Å
944	L	92.3	Very high	89.6	Confident	11 Å²	11	27.1 Å²	27.1	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-44.3	178.1	-64.2	175.9	0	0	0	111.1	P866 V940 I941 M946 V947 A948 E962 V966	P866-L944 HydrophobicContact CB-CD2 4.3Å; P866-L944 HydrophobicContact CG-CD2 3.64Å; V940-L944 HydrophobicContact CG1-CD1 4.04Å; V940-L944 HydrophobicContact CG1-CG 4.48Å; V940-L944 VanDerWaalsContact O-CG 3.3Å; V940-L944 WeakPolarHBondContact O-CG 3.19Å; V940-L944 PolarHBondContact O-N 2.83Å; V940-L944 VanDerWaalsContact O-N 3.11Å; I941-L944 PolarHBondContact O-N 3.3Å; L944-M946 VanDerWaalsContact C-N 3.34Å; L944-M946 PolarHBondContact O-N 2.88Å; L944-V947 PolarHBondContact O-N 3.24Å; L944-A948 WeakPolarHBondContact O-CB 3.41Å; L944-A948 PolarHBondContact O-N 3.16Å; L944-E962 WeakPolarHBondContact CD2-OE2 3.31Å; L944-V966 HydrophobicContact CD1-CG2 3.61Å
945	I	91.4	Very high	89.6	Confident	64 Å²	64	29.7 Å²	29.7	33%	0.328	15%	0.147	S	C	.	.	H	α-helix	trans	-62.5	-42.4	174.8	-67.9	171.1	0	0	0	110.9	I941 T942 E943 V947 A948 L949 C1002	I941-I945 HydrophobicContact CG2-CD1 3.69Å; I941-I945 HydrophobicContact CG2-CG1 4.3Å; I941-I945 VanDerWaalsContact O-CG1 3.32Å; I941-I945 WeakPolarHBondContact O-CG1 3.4Å; I941-I945 PolarHBondContact O-N 3.46Å; T942-I945 PolarHBondContact O-N 2.95Å; E943-I945 VanDerWaalsContact C-N 3.34Å; E943-I945 PolarHBondContact O-N 3.35Å; I945-V947 VanDerWaalsContact C-N 3.35Å; I945-V947 PolarHBondContact O-N 2.93Å; I945-A948 PolarHBondContact O-N 3.27Å; I945-L949 HydrophobicContact CG2-CD1 3.63Å; I945-L949 HydrophobicContact CG2-CG 4.16Å; I945-L949 WeakPolarHBondContact O-CB 3Å; I945-L949 WeakPolarHBondContact O-CG 3.32Å; I945-L949 PolarHBondContact O-N 2.93Å; I945-C1002 HydrophobicContact CG2-CB 4.27Å
946	M	90	Very high	89.5	Confident	13 Å²	13	40.3 Å²	40.3	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-38.6	179.4	-77.2	-58.9	-62.2	0	0	112.7	F823 W905 T942 E943 L944 T950 L1005	F823-M946 HydrophobicContact CE1-CB 4.24Å; F823-M946 WeakPolarHBondContact CZ-O 3.42Å; W905-M946 HydrophobicContact CZ3-CE 4.37Å; T942-M946 HydrophobicContact CG2-CG 4.46Å; T942-M946 WeakPolarHBondContact O-CB 3.46Å; T942-M946 VanDerWaalsContact O-CG 3.24Å; T942-M946 WeakPolarHBondContact O-CG 3.23Å; T942-M946 PolarHBondContact O-N 3.47Å; E943-M946 PolarHBondContact O-N 2.95Å; E943-M946 VanDerWaalsContact O-N 3.17Å; L944-M946 VanDerWaalsContact C-N 3.34Å; L944-M946 PolarHBondContact O-N 2.88Å; M946-T950 WeakPolarHBondContact O-CB 3.47Å; M946-T950 PolarHBondContact O-N 3.08Å; M946-T950 PolarHBondContact O-OG1 3.43Å; M946-L1005 HydrophobicContact CE-CD1 4.39Å; M946-L1005 HydrophobicContact SD-CD1 4.15Å
947	V	89	Confident	89.4	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-53	173.1	173.4	0	0	0	0	110.2	F823 P866 V867 L870 E943 L944 I945 L949 T950 I951 E962	F823-V947 HydrophobicContact CD1-CG2 4.01Å; F823-V947 HydrophobicContact CE1-CG2 3.81Å; F823-V947 HydrophobicContact CZ-CG2 4.35Å; P866-V947 HydrophobicContact CB-CB 4.49Å; P866-V947 HydrophobicContact CB-CG1 3.93Å; V867-V947 HydrophobicContact CG2-CG2 3.95Å; L870-V947 HydrophobicContact CD2-CG1 4.41Å; E943-V947 WeakPolarHBondContact O-CG2 3.36Å; E943-V947 PolarHBondContact O-N 3.28Å; L944-V947 PolarHBondContact O-N 3.24Å; I945-V947 VanDerWaalsContact C-N 3.35Å; I945-V947 PolarHBondContact O-N 2.93Å; V947-L949 PolarHBondContact O-N 2.92Å; V947-T950 PolarHBondContact O-N 3.36Å; V947-I951 HydrophobicContact CG1-CD1 4.01Å; V947-I951 WeakPolarHBondContact O-CG1 3.04Å; V947-I951 PolarHBondContact O-N 3.21Å; V947-E962 WeakPolarHBondContact CG1-OE1 3.44Å
948	A	89.2	Confident	89.3	Confident	25 Å²	25	42.1 Å²	42.1	21%	0.207	20%	0.2	C	C	.	.	H	α-helix	trans	-53.8	-38.9	177.8	0	0	0	0	0	113.1	L944 I945 T950 W954	L944-A948 WeakPolarHBondContact O-CB 3.41Å; L944-A948 PolarHBondContact O-N 3.16Å; I945-A948 PolarHBondContact O-N 3.27Å; A948-T950 VanDerWaalsContact C-N 3.33Å; A948-T950 PolarHBondContact O-N 3.44Å; A948-W954 HydrophobicContact CB-CH2 3.81Å; A948-W954 HydrophobicContact CB-CZ2 4.04Å
949	L	85.4	Confident	89.2	Confident	66 Å²	66	45.6 Å²	45.6	35%	0.346	22%	0.221	S	C	.	.	H	α-helix	trans	-75.1	-19.6	178.8	-71.3	170.1	0	0	0	113.8	I945 V947 V1006 K1009	I945-L949 HydrophobicContact CG2-CD1 3.63Å; I945-L949 HydrophobicContact CG2-CG 4.16Å; I945-L949 WeakPolarHBondContact O-CB 3Å; I945-L949 WeakPolarHBondContact O-CG 3.32Å; I945-L949 PolarHBondContact O-N 2.93Å; V947-L949 PolarHBondContact O-N 2.92Å; L949-V1006 HydrophobicContact CD1-CG2 3.39Å; L949-V1006 HydrophobicContact CD2-CG1 4.39Å; L949-V1006 HydrophobicContact CD2-CG2 4.37Å; L949-K1009 PolarHBondContact O-NZ 2.93Å
950	T	83.6	Confident	89.2	Confident	23 Å²	23	47.3 Å²	47.3	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-98.1	-20.6	-174.5	-53.7	0	0	0	0	113.9	F823 M946 V947 A948	F823-T950 HydrophobicContact CE2-CG2 3.48Å; F823-T950 VanDerWaalsContact CE2-CG2 3.48Å; F823-T950 VanDerWaalsContact CZ-CB 3.43Å; F823-T950 HydrophobicContact CZ-CG2 3.83Å; F823-T950 WeakPolarHBondContact CZ-OG1 3.34Å; M946-T950 WeakPolarHBondContact O-CB 3.47Å; M946-T950 PolarHBondContact O-N 3.08Å; M946-T950 PolarHBondContact O-OG1 3.43Å; V947-T950 PolarHBondContact O-N 3.36Å; A948-T950 VanDerWaalsContact C-N 3.33Å; A948-T950 PolarHBondContact O-N 3.44Å
951	I	86.3	Confident	89.2	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.072	24%	0.24	C	C	.	.			trans	-59.5	136.7	172	-69.6	163.7	0	0	0	110.3	L870 V947 T953 M958	L870-I951 HydrophobicContact CD2-CG1 3.74Å; V947-I951 HydrophobicContact CG1-CD1 4.01Å; V947-I951 WeakPolarHBondContact O-CG1 3.04Å; V947-I951 PolarHBondContact O-N 3.21Å; I951-T953 WeakPolarHBondContact CG2-O 3.41Å; I951-M958 HydrophobicContact CD1-CB 4.4Å; I951-M958 HydrophobicContact CD1-CG 4.46Å; I951-M958 HydrophobicContact CD1-SD 3.96Å; I951-M958 HydrophobicContact CG1-CE 4.42Å; I951-M958 HydrophobicContact CG1-SD 4.23Å; I951-M958 HydrophobicContact CG2-CE 4.19Å; I951-M958 HydrophobicContact CG2-SD 3.58Å; I951-M958 VanDerWaalsContact CG2-SD 3.58Å
952	H	84.8	Confident	89.2	Confident	87 Å²	87	46 Å²	46	40%	0.403	23%	0.23	S	C	.	.	S	Bend	trans	-89	-39.2	175.9	-62.7	83.8	0	0	0	111.6	D873 R874 Y1020	D873-H952 PolarHBondContact OD1-N 3.33Å; D873-H952 VanDerWaalsContact OD1-N 3.15Å; D873-H952 IonicContact OD2-CE1 2.68Å; D873-H952 IonicContact OD2-CG 2.83Å; D873-H952 PolarHBondContact OD2-N 3.26Å; D873-H952 IonicContact OD2-ND1 2.68Å; D873-H952 PolarHBondContact OD2-ND1 3.39Å; R874-H952 WeakPolarHBondContact O-CB 3.3Å; H952-Y1020 PolarHBondContact CD2-OH 3.19Å; H952-Y1020 PolarHBondContact NE2-OH 3.2Å
953	T	85.2	Confident	89.2	Confident	47 Å²	47	52.9 Å²	52.9	29%	0.288	26%	0.26	S	S	.	.	S	Bend	trans	-125.1	120.1	-176.4	48.6	0	0	0	0	111.4	D873 R874 I951 H955	D873-T953 PolarHBondContact OD1-N 3.06Å; D873-T953 VanDerWaalsContact OD1-N 3.14Å; D873-T953 PolarHBondContact OD1-OG1 3.07Å; R874-T953 HydrophobicContact CB-CG2 4.32Å; R874-T953 PolarHBondContact N-OG1 3.03Å; R874-T953 VanDerWaalsContact N-OG1 3.12Å; R874-T953 VanDerWaalsContact O-CG2 3.28Å; R874-T953 WeakPolarHBondContact O-CG2 3.36Å; R874-T953 PolarHBondContact O-OG1 3.44Å; I951-T953 WeakPolarHBondContact CG2-O 3.41Å; T953-H955 PolarHBondContact O-N 3.43Å
954	W	87	Confident	89.3	Confident	147 Å²	147	56.5 Å²	56.5	56%	0.557	28%	0.279	S	S	*	.			trans	-76.6	111.3	176.1	-75.8	86.8	0	0	0	110.8	A948 V959	A948-W954 HydrophobicContact CB-CH2 3.81Å; A948-W954 HydrophobicContact CB-CZ2 4.04Å; W954-V959 HydrophobicContact CE3-CG2 3.6Å; W954-V959 HydrophobicContact CZ3-CG2 4.01Å
955	H	85.8	Confident	89.4	Confident	56 Å²	56	56 Å²	56	26%	0.259	28%	0.276	S	S	.	.			trans	-103	151.4	170.9	-66.8	-48.7	0	0	0	110.8	T953 S957 M958 V959	T953-H955 PolarHBondContact O-N 3.43Å; H955-S957 PolarHBondContact O-N 3.25Å; H955-M958 HydrophobicContact CB-CG 4.31Å; H955-M958 HydrophobicContact CB-SD 4.29Å; H955-M958 WeakPolarHBondContact O-CB 3.46Å; H955-M958 PolarHBondContact O-N 3.36Å; H955-V959 PolarHBondContact O-N 3.24Å; H955-V959 VanDerWaalsContact O-N 3.16Å
956	W	88.4	Confident	89.5	Confident	224 Å²	224	56.1 Å²	56.1	85%	0.848	28%	0.28	S	S	*	.	H	α-helix	trans	-56.4	-37.2	179.6	-177.9	81.3	0	0	0	112.7	M958 V959 A960	W956-M958 VanDerWaalsContact C-N 3.32Å; W956-M958 PolarHBondContact O-N 3.02Å; W956-V959 PolarHBondContact O-N 3.46Å; W956-A960 WeakPolarHBondContact O-CB 3.2Å; W956-A960 PolarHBondContact O-N 3.12Å
957	S	88.5	Confident	89.7	Confident	43 Å²	43	57.4 Å²	57.4	30%	0.301	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-32.3	175.4	54.3	0	0	0	0	113.8	M872 H955 A961	M872-S957 VanDerWaalsContact CE-OG 3.23Å; M872-S957 WeakPolarHBondContact CE-OG 3.49Å; H955-S957 PolarHBondContact O-N 3.25Å; S957-A961 VanDerWaalsContact O-CB 3.3Å; S957-A961 WeakPolarHBondContact O-CB 3.44Å; S957-A961 PolarHBondContact O-N 2.68Å
958	M	89.8	Confident	89.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.9	-43.8	176.5	-67	173.2	161.4	0	0	110.8	S869 M872 D873 I951 H955 W956 A960 A961 E962	S869-M958 WeakPolarHBondContact O-CE 3.5Å; M872-M958 HydrophobicContact CB-CE 4.4Å; D873-M958 HydrophobicContact CB-CE 3.71Å; I951-M958 HydrophobicContact CD1-CB 4.4Å; I951-M958 HydrophobicContact CD1-CG 4.46Å; I951-M958 HydrophobicContact CD1-SD 3.96Å; I951-M958 HydrophobicContact CG1-CE 4.42Å; I951-M958 HydrophobicContact CG1-SD 4.23Å; I951-M958 HydrophobicContact CG2-CE 4.19Å; I951-M958 HydrophobicContact CG2-SD 3.58Å; I951-M958 VanDerWaalsContact CG2-SD 3.58Å; H955-M958 HydrophobicContact CB-CG 4.31Å; H955-M958 HydrophobicContact CB-SD 4.29Å; H955-M958 WeakPolarHBondContact O-CB 3.46Å; H955-M958 PolarHBondContact O-N 3.36Å; W956-M958 VanDerWaalsContact C-N 3.32Å; W956-M958 PolarHBondContact O-N 3.02Å; M958-A960 VanDerWaalsContact C-N 3.3Å; M958-A960 PolarHBondContact O-N 2.94Å; M958-A961 PolarHBondContact O-N 2.97Å; M958-E962 PolarHBondContact O-N 3.49Å
959	V	91.6	Very high	90	Very high	73 Å²	73	58.7 Å²	58.7	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-45.6	174.4	-179.9	0	0	0	0	110.4	W954 H955 W956 A961 E962 F963	W954-V959 HydrophobicContact CE3-CG2 3.6Å; W954-V959 HydrophobicContact CZ3-CG2 4.01Å; H955-V959 PolarHBondContact O-N 3.24Å; H955-V959 VanDerWaalsContact O-N 3.16Å; W956-V959 PolarHBondContact O-N 3.46Å; V959-A961 VanDerWaalsContact C-N 3.34Å; V959-A961 PolarHBondContact O-N 3.39Å; V959-E962 PolarHBondContact O-N 3.07Å; V959-F963 WeakPolarHBondContact O-CB 3.39Å; V959-F963 PolarHBondContact O-N 3.18Å
960	A	93	Very high	90.2	Very high	36 Å²	36	59 Å²	59	30%	0.298	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-39.7	176.8	0	0	0	0	0	112.2	W956 M958 L964	W956-A960 WeakPolarHBondContact O-CB 3.2Å; W956-A960 PolarHBondContact O-N 3.12Å; M958-A960 VanDerWaalsContact C-N 3.3Å; M958-A960 PolarHBondContact O-N 2.94Å; A960-L964 WeakPolarHBondContact O-CB 3.47Å; A960-L964 PolarHBondContact O-N 3.47Å
961	A	93.4	Very high	90.5	Very high	11 Å²	11	62.2 Å²	62.2	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-45.6	177.7	0	0	0	0	0	112.4	F865 S957 M958 V959 S965	F865-A961 HydrophobicContact CB-CB 3.92Å; S957-A961 VanDerWaalsContact O-CB 3.3Å; S957-A961 WeakPolarHBondContact O-CB 3.44Å; S957-A961 PolarHBondContact O-N 2.68Å; M958-A961 PolarHBondContact O-N 2.97Å; V959-A961 VanDerWaalsContact C-N 3.34Å; V959-A961 PolarHBondContact O-N 3.39Å; A961-S965 WeakPolarHBondContact O-CB 3.47Å; A961-S965 PolarHBondContact O-N 2.92Å
962	E	92.8	Very high	90.7	Very high	21 Å²	21	62.1 Å²	62.1	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-52.4	174.7	-75.5	-71	176.9	0	0	111	P866 L944 V947 M958 V959 L964 S965 V966	P866-E962 HydrophobicContact CB-CG 4.29Å; P866-E962 WeakPolarHBondContact CB-OE1 3.39Å; P866-E962 HydrophobicContact CG-CG 4.49Å; L944-E962 WeakPolarHBondContact CD2-OE2 3.31Å; V947-E962 WeakPolarHBondContact CG1-OE1 3.44Å; M958-E962 PolarHBondContact O-N 3.49Å; V959-E962 PolarHBondContact O-N 3.07Å; E962-L964 PolarHBondContact O-N 2.86Å; E962-S965 PolarHBondContact O-N 3.41Å; E962-V966 WeakPolarHBondContact O-CG2 3.49Å; E962-V966 PolarHBondContact O-N 3.42Å
963	F	93.7	Very high	90.7	Very high	145 Å²	145	58.5 Å²	58.5	64%	0.636	30%	0.297	S	S	*	.	H	α-helix	trans	-60.6	-45.8	-179.9	-177.6	-100	0	0	0	112	V959 S965 V966 C967	V959-F963 WeakPolarHBondContact O-CB 3.39Å; V959-F963 PolarHBondContact O-N 3.18Å; F963-S965 VanDerWaalsContact C-N 3.33Å; F963-S965 PolarHBondContact O-N 3.38Å; F963-V966 PolarHBondContact O-N 3.08Å; F963-C967 WeakPolarHBondContact CE1-SG 3.5Å; F963-C967 WeakPolarHBondContact CZ-SG 3.32Å; F963-C967 WeakPolarHBondContact O-CB 2.89Å; F963-C967 PolarHBondContact O-N 3.2Å; F963-C967 PolarHBondContact O-SG 2.99Å; F963-C967 VanDerWaalsContact O-SG 3.32Å
964	L	94.4	Very high	90.7	Very high	79 Å²	79	60.7 Å²	60.7	41%	0.414	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-42.9	178.4	-178.9	63.7	0	0	0	111.6	F865 A960 E962 C967 I968	F865-L964 HydrophobicContact CD2-CD2 4.19Å; F865-L964 HydrophobicContact CE2-CD2 4.13Å; F865-L964 HydrophobicContact CG-CD2 4.41Å; F865-L964 HydrophobicContact CZ-CD2 4.29Å; A960-L964 WeakPolarHBondContact O-CB 3.47Å; A960-L964 PolarHBondContact O-N 3.47Å; E962-L964 PolarHBondContact O-N 2.86Å; L964-C967 PolarHBondContact O-N 3.42Å; L964-I968 HydrophobicContact CD1-CD1 3.94Å; L964-I968 HydrophobicContact CD1-CG1 4.19Å; L964-I968 HydrophobicContact CD2-CD1 4.44Å; L964-I968 HydrophobicContact CG-CD1 3.77Å; L964-I968 HydrophobicContact CG-CG1 4.41Å; L964-I968 WeakPolarHBondContact O-CB 3.27Å; L964-I968 VanDerWaalsContact O-CG1 3.24Å; L964-I968 WeakPolarHBondContact O-CG1 3.08Å; L964-I968 PolarHBondContact O-N 3.29Å
965	S	94.7	Very high	90.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-44.7	176.8	-98.3	0	0	0	0	112.6	Y862 P866 A961 E962 F963 I968 Y969	Y862-S965 VanDerWaalsContact O-CB 3.22Å; Y862-S965 WeakPolarHBondContact O-CB 3.04Å; Y862-S965 PolarHBondContact O-OG 3.23Å; P866-S965 WeakPolarHBondContact CD-OG 3.24Å; A961-S965 WeakPolarHBondContact O-CB 3.47Å; A961-S965 PolarHBondContact O-N 2.92Å; E962-S965 PolarHBondContact O-N 3.41Å; F963-S965 VanDerWaalsContact C-N 3.33Å; F963-S965 PolarHBondContact O-N 3.38Å; S965-I968 PolarHBondContact O-N 2.92Å; S965-Y969 WeakPolarHBondContact O-CB 3.37Å; S965-Y969 PolarHBondContact O-N 3.25Å
966	V	93.2	Very high	90.4	Very high	66 Å²	66	60.6 Å²	60.6	40%	0.4	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-47.4	174.3	174.9	0	0	0	0	110.4	L944 E962 F963 I968 Y969 V970	L944-V966 HydrophobicContact CD1-CG2 3.61Å; E962-V966 WeakPolarHBondContact O-CG2 3.49Å; E962-V966 PolarHBondContact O-N 3.42Å; F963-V966 PolarHBondContact O-N 3.08Å; V966-I968 PolarHBondContact O-N 3.12Å; V966-Y969 PolarHBondContact O-N 3.05Å; V966-V970 HydrophobicContact CG1-CG2 4.19Å; V966-V970 WeakPolarHBondContact O-CG2 3.07Å; V966-V970 PolarHBondContact O-N 2.93Å
967	C	93.6	Very high	89.7	Confident	41 Å²	41	53.9 Å²	53.9	28%	0.277	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-47.2	179.5	-73.6	0	0	0	0	112.4	F963 L964 Y969 V970 L971	F963-C967 WeakPolarHBondContact CE1-SG 3.5Å; F963-C967 WeakPolarHBondContact CZ-SG 3.32Å; F963-C967 WeakPolarHBondContact O-CB 2.89Å; F963-C967 PolarHBondContact O-N 3.2Å; F963-C967 PolarHBondContact O-SG 2.99Å; F963-C967 VanDerWaalsContact O-SG 3.32Å; L964-C967 PolarHBondContact O-N 3.42Å; C967-Y969 VanDerWaalsContact C-N 3.27Å; C967-Y969 PolarHBondContact O-N 3.21Å; C967-V970 PolarHBondContact O-N 2.94Å; C967-L971 WeakPolarHBondContact O-CB 3.42Å; C967-L971 WeakPolarHBondContact O-CD1 3.14Å; C967-L971 VanDerWaalsContact O-CG 3.22Å; C967-L971 WeakPolarHBondContact O-CG 3.36Å; C967-L971 PolarHBondContact O-N 3.44Å
968	I	93.2	Very high	89	Confident	47 Å²	47	59.5 Å²	59.5	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-39.4	178.6	-68.1	166.9	0	0	0	110.6	V861 Y862 F865 L964 S965 V966 S972	V861-I968 HydrophobicContact CG1-CG2 3.57Å; Y862-I968 HydrophobicContact CD1-CG2 4.23Å; Y862-I968 HydrophobicContact CE1-CG2 4.22Å; F865-I968 HydrophobicContact CD2-CD1 4.43Å; F865-I968 HydrophobicContact CE2-CD1 3.81Å; L964-I968 HydrophobicContact CD1-CD1 3.94Å; L964-I968 HydrophobicContact CD1-CG1 4.19Å; L964-I968 HydrophobicContact CD2-CD1 4.44Å; L964-I968 HydrophobicContact CG-CD1 3.77Å; L964-I968 HydrophobicContact CG-CG1 4.41Å; L964-I968 WeakPolarHBondContact O-CB 3.27Å; L964-I968 VanDerWaalsContact O-CG1 3.24Å; L964-I968 WeakPolarHBondContact O-CG1 3.08Å; L964-I968 PolarHBondContact O-N 3.29Å; S965-I968 PolarHBondContact O-N 2.92Å; V966-I968 PolarHBondContact O-N 3.12Å; I968-S972 PolarHBondContact O-N 3.23Å
969	Y	92.6	Very high	88.3	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.027	33%	0.334	C	S	.	.	H	α-helix	trans	-70.3	-42.9	178.1	-176.4	-115.8	0	0	0	112.8	Y862 F936 T937 V940 S965 V966 C967 L971 S972 L973	Y862-Y969 AromaticContact CD1-CD2 3.92Å; Y862-Y969 HydrophobicContact CD1-CD2 3.92Å; Y862-Y969 AromaticContact CD2-CD2 3.84Å; Y862-Y969 HydrophobicContact CD2-CD2 3.84Å; Y862-Y969 HydrophobicContact CD2-CE2 4.26Å; Y862-Y969 AromaticContact CE1-CD2 3.98Å; Y862-Y969 HydrophobicContact CE1-CD2 3.98Å; Y862-Y969 AromaticContact CE2-CD2 3.91Å; Y862-Y969 HydrophobicContact CE2-CD2 3.91Å; Y862-Y969 HydrophobicContact CE2-CE2 4.16Å; Y862-Y969 AromaticContact CG-CD2 3.87Å; Y862-Y969 HydrophobicContact CG-CD2 3.87Å; Y862-Y969 AromaticContact CZ-CD2 3.98Å; F936-Y969 AromaticContact CD1-CE2 3.92Å; F936-Y969 HydrophobicContact CD1-CE2 3.92Å; F936-Y969 AromaticContact CE1-CE2 3.8Å; F936-Y969 HydrophobicContact CE1-CE2 3.8Å; T937-Y969 WeakPolarHBondContact CA-OH 3.47Å; T937-Y969 WeakPolarHBondContact CB-OH 3.44Å; T937-Y969 HydrophobicContact CG2-CE1 3.93Å; T937-Y969 PolarHBondContact N-OH 3.02Å; T937-Y969 PolarHBondContact OG1-OH 3.48Å; V940-Y969 HydrophobicContact CB-CD1 4.33Å; V940-Y969 HydrophobicContact CB-CE1 4.16Å; V940-Y969 HydrophobicContact CG1-CD1 3.88Å; V940-Y969 HydrophobicContact CG1-CD2 4.35Å; V940-Y969 HydrophobicContact CG1-CE1 4.23Å; V940-Y969 HydrophobicContact CG1-CG 3.95Å; V940-Y969 HydrophobicContact CG2-CD2 4.3Å; V940-Y969 HydrophobicContact CG2-CE1 4.47Å; V940-Y969 HydrophobicContact CG2-CE2 4.06Å; S965-Y969 WeakPolarHBondContact O-CB 3.37Å; S965-Y969 PolarHBondContact O-N 3.25Å; V966-Y969 PolarHBondContact O-N 3.05Å; C967-Y969 VanDerWaalsContact C-N 3.27Å; C967-Y969 PolarHBondContact O-N 3.21Å; Y969-L971 VanDerWaalsContact C-N 3.3Å; Y969-L971 PolarHBondContact O-N 3.47Å; Y969-S972 PolarHBondContact O-N 3Å; Y969-S972 VanDerWaalsContact O-N 3.11Å; Y969-S972 PolarHBondContact O-OG 3.38Å; Y969-L973 HydrophobicContact CD1-CD1 4.4Å; Y969-L973 HydrophobicContact CE1-CD1 3.94Å; Y969-L973 HydrophobicContact CE1-CG 4.29Å; Y969-L973 HydrophobicContact CE2-CD2 4.49Å; Y969-L973 PolarHBondContact O-N 3.04Å
970	V	89.8	Confident	87.7	Confident	73 Å²	73	57.8 Å²	57.8	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-39.9	175.2	171.8	0	0	0	0	111	V966 C967 S972 L973 L974	V966-V970 HydrophobicContact CG1-CG2 4.19Å; V966-V970 WeakPolarHBondContact O-CG2 3.07Å; V966-V970 PolarHBondContact O-N 2.93Å; C967-V970 PolarHBondContact O-N 2.94Å; V970-S972 VanDerWaalsContact C-N 3.33Å; V970-S972 PolarHBondContact O-N 3.27Å; V970-L973 PolarHBondContact O-N 3Å; V970-L974 PolarHBondContact O-N 3.44Å
971	L	89.7	Confident	87.1	Confident	89 Å²	89	59.4 Å²	59.4	47%	0.466	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-42.1	173.1	-72.3	165.6	0	0	0	111.1	C967 Y969 L973 L974 F975	C967-L971 WeakPolarHBondContact O-CB 3.42Å; C967-L971 WeakPolarHBondContact O-CD1 3.14Å; C967-L971 VanDerWaalsContact O-CG 3.22Å; C967-L971 WeakPolarHBondContact O-CG 3.36Å; C967-L971 PolarHBondContact O-N 3.44Å; Y969-L971 VanDerWaalsContact C-N 3.3Å; Y969-L971 PolarHBondContact O-N 3.47Å; L971-L973 VanDerWaalsContact C-N 3.31Å; L971-L973 PolarHBondContact O-N 2.91Å; L971-L974 PolarHBondContact O-N 2.68Å; L971-F975 HydrophobicContact CB-CD2 4.31Å; L971-F975 HydrophobicContact CD2-CD2 4.3Å; L971-F975 HydrophobicContact CD2-CE2 3.79Å; L971-F975 VanDerWaalsContact O-CD2 3.22Å; L971-F975 WeakPolarHBondContact O-CD2 3.38Å; L971-F975 PolarHBondContact O-N 3.41Å
972	S	89.1	Confident	86.5	Confident	12 Å²	12	62.3 Å²	62.3	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-31.5	-179.4	80.5	0	0	0	0	113.2	Y862 I968 Y969 V970 L974 L976	Y862-S972 WeakPolarHBondContact CE1-OG 3.34Å; Y862-S972 WeakPolarHBondContact OH-CB 3.43Å; Y862-S972 PolarHBondContact OH-OG 3.07Å; I968-S972 PolarHBondContact O-N 3.23Å; Y969-S972 PolarHBondContact O-N 3Å; Y969-S972 VanDerWaalsContact O-N 3.11Å; Y969-S972 PolarHBondContact O-OG 3.38Å; V970-S972 VanDerWaalsContact C-N 3.33Å; V970-S972 PolarHBondContact O-N 3.27Å; S972-L974 PolarHBondContact O-N 3.4Å; S972-L976 WeakPolarHBondContact O-CB 3.25Å; S972-L976 PolarHBondContact O-N 3.09Å; S972-L976 VanDerWaalsContact O-N 3.14Å
973	L	86.3	Confident	86	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-29.5	170.7	-70.2	174.8	0	0	0	112.9	Y969 V970 L971 F980 V985	Y969-L973 HydrophobicContact CD1-CD1 4.4Å; Y969-L973 HydrophobicContact CE1-CD1 3.94Å; Y969-L973 HydrophobicContact CE1-CG 4.29Å; Y969-L973 HydrophobicContact CE2-CD2 4.49Å; Y969-L973 PolarHBondContact O-N 3.04Å; V970-L973 PolarHBondContact O-N 3Å; L971-L973 VanDerWaalsContact C-N 3.31Å; L971-L973 PolarHBondContact O-N 2.91Å; L973-F980 HydrophobicContact CD2-CB 4.43Å; L973-F980 HydrophobicContact CD2-CD1 3.69Å; L973-F980 HydrophobicContact CD2-CD2 3.95Å; L973-F980 HydrophobicContact CD2-CE1 3.84Å; L973-F980 HydrophobicContact CD2-CE2 4.08Å; L973-F980 HydrophobicContact CD2-CG 3.76Å; L973-F980 HydrophobicContact CD2-CZ 4.03Å; L973-V985 HydrophobicContact CB-CG1 4.32Å; L973-V985 HydrophobicContact CD1-CG1 4.33Å
974	L	83.6	Confident	85.3	Confident	92 Å²	92	63.8 Å²	63.8	48%	0.482	34%	0.335	S	S	.	.	H	α-helix	trans	-89	-33.3	-179.8	-62	174.8	0	0	0	113.1	V970 L971 S972 I982	V970-L974 PolarHBondContact O-N 3.44Å; L971-L974 PolarHBondContact O-N 2.68Å; S972-L974 PolarHBondContact O-N 3.4Å; L974-I982 WeakPolarHBondContact O-CD1 3.31Å
975	F	84.1	Confident	84.8	Confident	156 Å²	156	61 Å²	61	68%	0.684	32%	0.321	S	S	*	.	H	α-helix	trans	-100.9	-7.8	-171	-74.3	-71.3	0	0	0	115.3	L971 P977	L971-F975 HydrophobicContact CB-CD2 4.31Å; L971-F975 HydrophobicContact CD2-CD2 4.3Å; L971-F975 HydrophobicContact CD2-CE2 3.79Å; L971-F975 VanDerWaalsContact O-CD2 3.22Å; L971-F975 WeakPolarHBondContact O-CD2 3.38Å; L971-F975 PolarHBondContact O-N 3.41Å; F975-P977 WeakPolarHBondContact O-CD 3.46Å
976	L	82.6	Confident	84.2	Confident	46 Å²	46	71.8 Å²	71.8	24%	0.241	36%	0.362	C	S	.	.			trans	-108	71.7	177.6	-69.2	166.5	0	0	0	112.1	M853 L857 S972 N978 V979 F980	M853-L976 HydrophobicContact CE-CD1 4.43Å; M853-L976 HydrophobicContact CE-CD2 4.12Å; L857-L976 HydrophobicContact CD1-CD1 4.45Å; S972-L976 WeakPolarHBondContact O-CB 3.25Å; S972-L976 PolarHBondContact O-N 3.09Å; S972-L976 VanDerWaalsContact O-N 3.14Å; L976-N978 PolarHBondContact O-N 3.49Å; L976-V979 PolarHBondContact O-N 2.94Å; L976-V979 VanDerWaalsContact O-N 3.11Å; L976-F980 HydrophobicContact CB-CD2 4.21Å; L976-F980 PolarHBondContact O-N 3.4Å
977	P	75.1	Confident	83.9	Confident	83 Å²	83	71.6 Å²	71.6	54%	0.539	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.1	-177.1	27.8	-35.9	0	0	0	113.2	F975 V979 I982	F975-P977 WeakPolarHBondContact O-CD 3.46Å; P977-V979 PolarHBondContact O-N 2.86Å; P977-I982 HydrophobicContact CB-CD1 4.02Å
978	N	73.8	Confident	83.5	Confident	161 Å²	161	78.9 Å²	78.9	86%	0.861	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.3	178.5	-65.4	-17.2	0	0	0	113.1	L976	L976-N978 PolarHBondContact O-N 3.49Å
979	V	74.5	Confident	83.1	Confident	36 Å²	36	78.3 Å²	78.3	22%	0.218	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-39.1	-173.2	-171.9	0	0	0	0	111.4	M853 L854 L976 P977	M853-V979 HydrophobicContact CE-CG2 3.91Å; L854-V979 HydrophobicContact CD1-CG1 3.54Å; L854-V979 HydrophobicContact CD2-CG1 4.1Å; L854-V979 HydrophobicContact CG-CG1 3.84Å; L976-V979 PolarHBondContact O-N 2.94Å; L976-V979 VanDerWaalsContact O-N 3.11Å; P977-V979 PolarHBondContact O-N 2.86Å
980	F	79	Confident	82.9	Confident	1 Å²	1	78.6 Å²	78.6	0%	0.004	38%	0.384	C	S	.	.	S	Bend	trans	-115.4	130.8	-179.6	-58.6	-69.5	0	0	0	110.6	L854 S933 F936 L973 L976 I982 V985	L854-F980 HydrophobicContact CD1-CE1 4.49Å; L854-F980 HydrophobicContact CD1-CZ 4.08Å; L854-F980 HydrophobicContact CD2-CE2 3.94Å; L854-F980 HydrophobicContact CD2-CZ 3.69Å; S933-F980 WeakPolarHBondContact OG-CD1 3.25Å; F936-F980 HydrophobicContact CD1-CE1 4.46Å; F936-F980 HydrophobicContact CD1-CZ 4.08Å; F936-F980 HydrophobicContact CE1-CZ 4.45Å; L973-F980 HydrophobicContact CD2-CB 4.43Å; L973-F980 HydrophobicContact CD2-CD1 3.69Å; L973-F980 HydrophobicContact CD2-CD2 3.95Å; L973-F980 HydrophobicContact CD2-CE1 3.84Å; L973-F980 HydrophobicContact CD2-CE2 4.08Å; L973-F980 HydrophobicContact CD2-CG 3.76Å; L973-F980 HydrophobicContact CD2-CZ 4.03Å; L976-F980 HydrophobicContact CB-CD2 4.21Å; L976-F980 PolarHBondContact O-N 3.4Å; F980-I982 PolarHBondContact O-N 3.47Å; F980-I982 VanDerWaalsContact O-N 3.17Å; F980-V985 HydrophobicContact CB-CG2 4.48Å
981	D	80.9	Confident	82.7	Confident	70 Å²	70	79 Å²	79	37%	0.374	38%	0.383	S	S	.	.			trans	-77.6	101.9	171.4	-173.4	-13.1	0	0	0	109.6	H930 K983 Y984 V985	H930-D981 IonicContact CE1-OD2 3.79Å; H930-D981 PolarHBondContact CE1-OD2 3.45Å; D981-K983 PolarHBondContact O-N 2.92Å; D981-K983 WeakPolarHBondContact OD1-CB 3.02Å; D981-K983 PolarHBondContact OD1-N 2.98Å; D981-Y984 PolarHBondContact O-N 3.29Å; D981-V985 WeakPolarHBondContact O-CG2 3.36Å; D981-V985 PolarHBondContact O-N 2.9Å
982	I	80.1	Confident	82.7	Confident	71 Å²	71	81.3 Å²	81.3	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-56	-34.3	-178.3	-60.3	166.8	0	0	0	111.4	L974 P977 F980 R986	L974-I982 WeakPolarHBondContact O-CD1 3.31Å; P977-I982 HydrophobicContact CB-CD1 4.02Å; F980-I982 PolarHBondContact O-N 3.47Å; F980-I982 VanDerWaalsContact O-N 3.17Å; I982-R986 PolarHBondContact O-N 3.48Å
983	K	81.2	Confident	82.6	Confident	179 Å²	179	81.7 Å²	81.7	78%	0.778	39%	0.386	S	S	*	.	H	α-helix	trans	-68.1	-42.6	179.4	-66.4	-178	179.8	177.6	0	110.7	D981 T987	D981-K983 PolarHBondContact O-N 2.92Å; D981-K983 WeakPolarHBondContact OD1-CB 3.02Å; D981-K983 PolarHBondContact OD1-N 2.98Å; K983-T987 PolarHBondContact O-OG1 3.3Å; K983-T987 VanDerWaalsContact O-OG1 3.13Å
984	Y	80.8	Confident	82.7	Confident	19 Å²	19	81.4 Å²	81.4	8%	0.075	38%	0.384	C	S	.	.	H	α-helix	trans	-68.7	-43.5	178.2	-174.9	-102.7	0	0	0	112.1	H930 I934 D981 R986 T987 F990	H930-Y984 HydrophobicContact CB-CD1 3.74Å; H930-Y984 HydrophobicContact CB-CE1 3.64Å; H930-Y984 HydrophobicContact CB-CG 4.27Å; H930-Y984 AromaticContact CD2-CD2 3.62Å; H930-Y984 AromaticContact CD2-CE2 3.92Å; H930-Y984 AromaticContact CD2-CG 3.73Å; H930-Y984 AromaticContact CG-CD1 3.74Å; H930-Y984 AromaticContact CG-CG 3.77Å; H930-Y984 AromaticContact NE2-CD2 3.98Å; I934-Y984 HydrophobicContact CD1-CE1 3.88Å; I934-Y984 WeakPolarHBondContact CD1-OH 3.34Å; I934-Y984 HydrophobicContact CG1-CE1 3.93Å; D981-Y984 PolarHBondContact O-N 3.29Å; Y984-R986 PolarHBondContact O-N 3.36Å; Y984-T987 WeakPolarHBondContact O-CB 3.43Å; Y984-T987 PolarHBondContact O-N 3Å; Y984-T987 PolarHBondContact O-OG1 3.25Å; Y984-F990 HydrophobicContact CD1-CB 4.32Å; Y984-F990 HydrophobicContact CD1-CD2 4.14Å; Y984-F990 HydrophobicContact CE1-CB 4.03Å; Y984-F990 AromaticContact CE1-CD2 3.9Å; Y984-F990 HydrophobicContact CE1-CD2 3.9Å; Y984-F990 HydrophobicContact CE1-CG 4.45Å
985	V	83	Confident	83.1	Confident	19 Å²	19	81.7 Å²	81.7	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-58.7	-31.9	-178.8	172.1	0	0	0	0	112.6	L973 F980 D981 T987 F990	L973-V985 HydrophobicContact CB-CG1 4.32Å; L973-V985 HydrophobicContact CD1-CG1 4.33Å; F980-V985 HydrophobicContact CB-CG2 4.48Å; D981-V985 WeakPolarHBondContact O-CG2 3.36Å; D981-V985 PolarHBondContact O-N 2.9Å; V985-T987 VanDerWaalsContact C-N 3.27Å; V985-T987 PolarHBondContact O-N 3.42Å; V985-F990 HydrophobicContact CG1-CD1 4.19Å; V985-F990 HydrophobicContact CG1-CE1 3.87Å; V985-F990 HydrophobicContact CG1-CZ 4.25Å; V985-F990 HydrophobicContact CG2-CE2 4.35Å; V985-F990 HydrophobicContact CG2-CZ 4.36Å; V985-F990 VanDerWaalsContact O-CD1 3.24Å; V985-F990 WeakPolarHBondContact O-CD1 3.38Å
986	R	82.4	Confident	83.4	Confident	227 Å²	227	75.2 Å²	75.2	86%	0.857	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.4	177.1	-165.6	173.2	178.7	178.6	0.3	113.7	I982 Y984	I982-R986 PolarHBondContact O-N 3.48Å; Y984-R986 PolarHBondContact O-N 3.36Å
987	T	86.3	Confident	83.8	Confident	63 Å²	63	73.2 Å²	73.2	39%	0.387	35%	0.349	S	S	.	.	S	Bend	trans	-75.8	141.9	-174.8	-53.2	0	0	0	0	110.7	K983 Y984 V985 S989 F990	K983-T987 PolarHBondContact O-OG1 3.3Å; K983-T987 VanDerWaalsContact O-OG1 3.13Å; Y984-T987 WeakPolarHBondContact O-CB 3.43Å; Y984-T987 PolarHBondContact O-N 3Å; Y984-T987 PolarHBondContact O-OG1 3.25Å; V985-T987 VanDerWaalsContact C-N 3.27Å; V985-T987 PolarHBondContact O-N 3.42Å; T987-S989 PolarHBondContact O-N 3.4Å; T987-S989 VanDerWaalsContact O-N 3.15Å; T987-F990 WeakPolarHBondContact O-CB 3.24Å; T987-F990 PolarHBondContact O-N 2.91Å
988	W	86.1	Confident	84.6	Confident	194 Å²	194	69.7 Å²	69.7	74%	0.735	33%	0.326	S	S	*	.	H	α-helix	trans	-54.9	-33.6	175	-178.4	-111.8	0	0	0	112.9	F990 I991 W992	W988-F990 PolarHBondContact O-N 2.96Å; W988-I991 HydrophobicContact CE3-CD1 4.49Å; W988-I991 HydrophobicContact CZ3-CG2 4.45Å; W988-I991 PolarHBondContact O-N 2.95Å; W988-W992 PolarHBondContact O-N 3.28Å; W988-W992 VanDerWaalsContact O-N 3.13Å
989	S	84.7	Confident	85.4	Confident	35 Å²	35	65 Å²	65	25%	0.245	30%	0.303	C	S	.	.	H	α-helix	trans	-50.3	-54.9	172.1	-167.8	0	0	0	0	110.9	T987 I991 K993	T987-S989 PolarHBondContact O-N 3.4Å; T987-S989 VanDerWaalsContact O-N 3.15Å; S989-I991 VanDerWaalsContact C-N 3.35Å; S989-I991 PolarHBondContact O-N 3.5Å; S989-K993 WeakPolarHBondContact O-CB 3.27Å; S989-K993 VanDerWaalsContact O-CD 3.24Å; S989-K993 WeakPolarHBondContact O-CD 3.43Å; S989-K993 WeakPolarHBondContact O-CG 3.4Å; S989-K993 PolarHBondContact O-N 2.91Å; S989-K993 VanDerWaalsContact O-N 3.12Å; S989-K993 WeakPolarHBondContact OG-CD 3.2Å; S989-K993 WeakPolarHBondContact OG-CE 3.41Å; S989-K993 PolarHBondContact OG-NZ 3.35Å
990	F	86.8	Confident	86.2	Confident	13 Å²	13	67.3 Å²	67.3	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-55.9	-46.8	-179.8	173.1	-98	0	0	0	112.7	I934 T937 Y984 V985 T987 W988 T994	I934-F990 HydrophobicContact CG1-CD2 3.98Å; I934-F990 HydrophobicContact CG1-CE2 4.31Å; T937-F990 HydrophobicContact CG2-CE1 4.28Å; T937-F990 HydrophobicContact CG2-CZ 3.69Å; T937-F990 VanDerWaalsContact OG1-CZ 3.3Å; T937-F990 WeakPolarHBondContact OG1-CZ 3.31Å; Y984-F990 HydrophobicContact CD1-CB 4.32Å; Y984-F990 HydrophobicContact CD1-CD2 4.14Å; Y984-F990 HydrophobicContact CE1-CB 4.03Å; Y984-F990 AromaticContact CE1-CD2 3.9Å; Y984-F990 HydrophobicContact CE1-CD2 3.9Å; Y984-F990 HydrophobicContact CE1-CG 4.45Å; V985-F990 HydrophobicContact CG1-CD1 4.19Å; V985-F990 HydrophobicContact CG1-CE1 3.87Å; V985-F990 HydrophobicContact CG1-CZ 4.25Å; V985-F990 HydrophobicContact CG2-CE2 4.35Å; V985-F990 HydrophobicContact CG2-CZ 4.36Å; V985-F990 VanDerWaalsContact O-CD1 3.24Å; V985-F990 WeakPolarHBondContact O-CD1 3.38Å; T987-F990 WeakPolarHBondContact O-CB 3.24Å; T987-F990 PolarHBondContact O-N 2.91Å; W988-F990 PolarHBondContact O-N 2.96Å; F990-T994 WeakPolarHBondContact O-CB 3.46Å; F990-T994 PolarHBondContact O-N 2.92Å; F990-T994 PolarHBondContact O-OG1 2.92Å; F990-T994 VanDerWaalsContact O-OG1 3.11Å
991	I	87.6	Confident	86.8	Confident	82 Å²	82	67.2 Å²	67.2	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-55.6	-174.5	-61.1	174.5	0	0	0	111.9	W988 S989 K993 T994 L995	W988-I991 HydrophobicContact CE3-CD1 4.49Å; W988-I991 HydrophobicContact CZ3-CG2 4.45Å; W988-I991 PolarHBondContact O-N 2.95Å; S989-I991 VanDerWaalsContact C-N 3.35Å; S989-I991 PolarHBondContact O-N 3.5Å; I991-K993 VanDerWaalsContact C-N 3.28Å; I991-K993 PolarHBondContact O-N 3.31Å; I991-T994 PolarHBondContact O-N 3.26Å; I991-L995 WeakPolarHBondContact O-CB 3.42Å; I991-L995 PolarHBondContact O-N 3.17Å
992	W	88.6	Confident	87.3	Confident	137 Å²	137	64.2 Å²	64.2	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-42	-179	141	-106	0	0	0	110.9	W988 L995 V996	W988-W992 PolarHBondContact O-N 3.28Å; W988-W992 VanDerWaalsContact O-N 3.13Å; W992-L995 WeakPolarHBondContact O-CB 3.3Å; W992-L995 PolarHBondContact O-N 2.94Å; W992-L995 VanDerWaalsContact O-N 3.15Å; W992-V996 HydrophobicContact CD2-CG2 3.69Å; W992-V996 HydrophobicContact CE3-CG2 3.35Å; W992-V996 HydrophobicContact CH2-CG2 3.07Å; W992-V996 HydrophobicContact CZ2-CG2 3.39Å; W992-V996 HydrophobicContact CZ3-CG2 3.04Å; W992-V996 WeakPolarHBondContact O-CG2 3.29Å; W992-V996 PolarHBondContact O-N 3.35Å
993	K	86.8	Confident	87.7	Confident	19 Å²	19	65.3 Å²	65.3	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-48.1	-179.8	-73.4	-177.8	165.6	-172.3	0	112.4	F924 D927 S989 I991 L995 V996 L997	F924-K993 HydrophobicContact CD1-CB 4.47Å; F924-K993 HydrophobicContact CD1-CD 3.32Å; F924-K993 HydrophobicContact CD1-CG 3.93Å; F924-K993 HydrophobicContact CE1-CB 3.49Å; F924-K993 VanDerWaalsContact CE1-CB 3.49Å; F924-K993 HydrophobicContact CE1-CD 3.04Å; F924-K993 HydrophobicContact CE1-CG 3.08Å; F924-K993 HydrophobicContact CE2-CB 4.17Å; F924-K993 HydrophobicContact CG-CD 4.31Å; F924-K993 HydrophobicContact CZ-CB 3.27Å; F924-K993 HydrophobicContact CZ-CD 3.76Å; F924-K993 HydrophobicContact CZ-CG 3.5Å; D927-K993 IonicContact OD2-NZ 2.71Å; D927-K993 PolarHBondContact OD2-NZ 3Å; S989-K993 WeakPolarHBondContact O-CB 3.27Å; S989-K993 VanDerWaalsContact O-CD 3.24Å; S989-K993 WeakPolarHBondContact O-CD 3.43Å; S989-K993 WeakPolarHBondContact O-CG 3.4Å; S989-K993 PolarHBondContact O-N 2.91Å; S989-K993 VanDerWaalsContact O-N 3.12Å; S989-K993 WeakPolarHBondContact OG-CD 3.2Å; S989-K993 WeakPolarHBondContact OG-CE 3.41Å; S989-K993 PolarHBondContact OG-NZ 3.35Å; I991-K993 VanDerWaalsContact C-N 3.28Å; I991-K993 PolarHBondContact O-N 3.31Å; K993-L995 VanDerWaalsContact C-N 3.3Å; K993-L995 PolarHBondContact O-N 3.32Å; K993-V996 PolarHBondContact O-N 3.22Å; K993-L997 PolarHBondContact O-N 2.88Å
994	T	89	Confident	88	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-38.7	173.6	-65.4	0	0	0	0	111.6	T937 I941 F990 I991 L997 T998	T937-T994 HydrophobicContact CG2-CG2 3.67Å; I941-T994 HydrophobicContact CD1-CG2 3.93Å; F990-T994 WeakPolarHBondContact O-CB 3.46Å; F990-T994 PolarHBondContact O-N 2.92Å; F990-T994 PolarHBondContact O-OG1 2.92Å; F990-T994 VanDerWaalsContact O-OG1 3.11Å; I991-T994 PolarHBondContact O-N 3.26Å; T994-L997 PolarHBondContact O-N 3.42Å; T994-T998 HydrophobicContact CG2-CG2 4.29Å; T994-T998 WeakPolarHBondContact O-CB 3.37Å; T994-T998 VanDerWaalsContact O-CG2 3.3Å; T994-T998 WeakPolarHBondContact O-CG2 3.2Å; T994-T998 PolarHBondContact O-N 3.47Å; T994-T998 PolarHBondContact O-OG1 3.21Å
995	L	91.3	Very high	88.3	Confident	99 Å²	99	59.8 Å²	59.8	52%	0.518	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-40.2	-179.9	-169.8	140.1	0	0	0	112.6	I991 W992 K993 T998 T999	I991-L995 WeakPolarHBondContact O-CB 3.42Å; I991-L995 PolarHBondContact O-N 3.17Å; W992-L995 WeakPolarHBondContact O-CB 3.3Å; W992-L995 PolarHBondContact O-N 2.94Å; W992-L995 VanDerWaalsContact O-N 3.15Å; K993-L995 VanDerWaalsContact C-N 3.3Å; K993-L995 PolarHBondContact O-N 3.32Å; L995-T998 WeakPolarHBondContact CA-OG1 3.43Å; L995-T998 PolarHBondContact O-OG1 3.44Å; L995-T999 VanDerWaalsContact O-CB 3.27Å; L995-T999 WeakPolarHBondContact O-CB 3.48Å; L995-T999 PolarHBondContact O-N 2.95Å; L995-T999 PolarHBondContact O-OG1 3.18Å
996	V	91.4	Very high	88.4	Confident	19 Å²	19	60.7 Å²	60.7	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-50.4	173.9	175.5	0	0	0	0	111	L923 W992 K993 T998 T999 I1000	L923-V996 HydrophobicContact CD1-CG1 4.27Å; W992-V996 HydrophobicContact CD2-CG2 3.69Å; W992-V996 HydrophobicContact CE3-CG2 3.35Å; W992-V996 HydrophobicContact CH2-CG2 3.07Å; W992-V996 HydrophobicContact CZ2-CG2 3.39Å; W992-V996 HydrophobicContact CZ3-CG2 3.04Å; W992-V996 WeakPolarHBondContact O-CG2 3.29Å; W992-V996 PolarHBondContact O-N 3.35Å; K993-V996 PolarHBondContact O-N 3.22Å; V996-T998 VanDerWaalsContact C-N 3.34Å; V996-T998 PolarHBondContact O-N 3.32Å; V996-T999 PolarHBondContact O-N 3.45Å; V996-I1000 HydrophobicContact CG1-CD1 3.61Å; V996-I1000 HydrophobicContact CG1-CG1 4.29Å; V996-I1000 WeakPolarHBondContact O-CG1 3.37Å; V996-I1000 PolarHBondContact O-N 3.31Å
997	L	90.1	Very high	88.6	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-47.9	-176.6	-122.7	92.3	0	0	0	111.6	I916 F924 K993 T994 I1000 S1001	I916-L997 HydrophobicContact CB-CD2 4.11Å; I916-L997 HydrophobicContact CG1-CD2 4.37Å; I916-L997 HydrophobicContact CG2-CD2 3.76Å; I916-L997 WeakPolarHBondContact O-CD2 3.19Å; F924-L997 HydrophobicContact CE2-CD1 3.73Å; F924-L997 HydrophobicContact CZ-CD1 4.1Å; K993-L997 PolarHBondContact O-N 2.88Å; T994-L997 PolarHBondContact O-N 3.42Å; L997-I1000 PolarHBondContact O-N 3.02Å; L997-S1001 VanDerWaalsContact O-CB 3.27Å; L997-S1001 WeakPolarHBondContact O-CB 3.36Å; L997-S1001 PolarHBondContact O-N 2.88Å
998	T	91.4	Very high	88.6	Confident	10 Å²	10	57.3 Å²	57.3	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-41.9	178.4	48	0	0	0	0	111.2	S938 I941 T994 L995 V996 S1001 C1002	S938-T998 WeakPolarHBondContact O-CG2 3.35Å; I941-T998 HydrophobicContact CB-CG2 3.88Å; I941-T998 HydrophobicContact CG2-CG2 3.79Å; T994-T998 HydrophobicContact CG2-CG2 4.29Å; T994-T998 WeakPolarHBondContact O-CB 3.37Å; T994-T998 VanDerWaalsContact O-CG2 3.3Å; T994-T998 WeakPolarHBondContact O-CG2 3.2Å; T994-T998 PolarHBondContact O-N 3.47Å; T994-T998 PolarHBondContact O-OG1 3.21Å; L995-T998 WeakPolarHBondContact CA-OG1 3.43Å; L995-T998 PolarHBondContact O-OG1 3.44Å; V996-T998 VanDerWaalsContact C-N 3.34Å; V996-T998 PolarHBondContact O-N 3.32Å; T998-S1001 PolarHBondContact O-N 3.45Å; T998-C1002 WeakPolarHBondContact O-CB 3.46Å; T998-C1002 PolarHBondContact O-N 3.3Å
999	T	91.7	Very high	88.4	Confident	63 Å²	63	51.7 Å²	51.7	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-48.1	177.8	-57.8	0	0	0	0	111.8	L995 V996 S1001 C1002 L1003	L995-T999 VanDerWaalsContact O-CB 3.27Å; L995-T999 WeakPolarHBondContact O-CB 3.48Å; L995-T999 PolarHBondContact O-N 2.95Å; L995-T999 PolarHBondContact O-OG1 3.18Å; V996-T999 PolarHBondContact O-N 3.45Å; T999-S1001 VanDerWaalsContact C-N 3.29Å; T999-S1001 PolarHBondContact O-N 3.31Å; T999-C1002 PolarHBondContact O-N 2.97Å; T999-L1003 HydrophobicContact CG2-CB 4.38Å; T999-L1003 WeakPolarHBondContact O-CB 3.31Å; T999-L1003 PolarHBondContact O-N 3.34Å
1000	I	91.5	Very high	88.4	Confident	83 Å²	83	54.9 Å²	54.9	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-36	179.5	-62.7	173.2	0	0	0	110.7	Y911 V915 V996 L997 P1004	Y911-I1000 PolarHBondContact OH-O 3.49Å; V915-I1000 HydrophobicContact CG1-CB 4.28Å; V915-I1000 HydrophobicContact CG1-CG2 3.75Å; V996-I1000 HydrophobicContact CG1-CD1 3.61Å; V996-I1000 HydrophobicContact CG1-CG1 4.29Å; V996-I1000 WeakPolarHBondContact O-CG1 3.37Å; V996-I1000 PolarHBondContact O-N 3.31Å; L997-I1000 PolarHBondContact O-N 3.02Å; I1000-P1004 WeakPolarHBondContact O-CD 3.38Å
1001	S	91.4	Very high	88.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-68.5	-39.2	178.1	-169.6	0	0	0	0	113.1	Q912 L997 T998 T999	Q912-S1001 WeakPolarHBondContact CB-OG 3.42Å; Q912-S1001 WeakPolarHBondContact CG-OG 3.38Å; Q912-S1001 PolarHBondContact NE2-O 2.95Å; L997-S1001 VanDerWaalsContact O-CB 3.27Å; L997-S1001 WeakPolarHBondContact O-CB 3.36Å; L997-S1001 PolarHBondContact O-N 2.88Å; T998-S1001 PolarHBondContact O-N 3.45Å; T999-S1001 VanDerWaalsContact C-N 3.29Å; T999-S1001 PolarHBondContact O-N 3.31Å
1002	C	90.2	Very high	88.1	Confident	7 Å²	7	61.4 Å²	61.4	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-92.8	-43	-175	-68.7	0	0	0	0	114.1	I945 T998 T999 L1005 V1006	I945-C1002 HydrophobicContact CG2-CB 4.27Å; T998-C1002 WeakPolarHBondContact O-CB 3.46Å; T998-C1002 PolarHBondContact O-N 3.3Å; T999-C1002 PolarHBondContact O-N 2.97Å; C1002-L1005 WeakPolarHBondContact O-CB 3.21Å; C1002-L1005 PolarHBondContact O-N 2.82Å; C1002-L1005 VanDerWaalsContact O-N 3.08Å; C1002-V1006 VanDerWaalsContact O-CG2 3.29Å; C1002-V1006 WeakPolarHBondContact O-CG2 3.32Å; C1002-V1006 PolarHBondContact O-N 3.36Å; C1002-V1006 VanDerWaalsContact O-N 3.12Å
1003	L	88.6	Confident	87.7	Confident	93 Å²	93	58.7 Å²	58.7	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-56.2	-46	-166.5	-177.3	73.6	0	0	0	113.7	T999 L1005 V1006 L1007	T999-L1003 HydrophobicContact CG2-CB 4.38Å; T999-L1003 WeakPolarHBondContact O-CB 3.31Å; T999-L1003 PolarHBondContact O-N 3.34Å; L1003-L1005 VanDerWaalsContact C-N 3.25Å; L1003-L1005 PolarHBondContact O-N 2.89Å; L1003-V1006 PolarHBondContact O-N 3.22Å; L1003-L1007 HydrophobicContact CG-CD1 4.27Å; L1003-L1007 WeakPolarHBondContact O-CG 3.36Å; L1003-L1007 PolarHBondContact O-N 3.41Å
1004	P	88	Confident	87.6	Confident	55 Å²	55	64.2 Å²	64.2	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-33.7	-179.7	-26.2	39.9	0	0	0	112.7	Y911 I1000 L1008	Y911-P1004 WeakPolarHBondContact OH-CG 3.35Å; I1000-P1004 WeakPolarHBondContact O-CD 3.38Å; P1004-L1008 VanDerWaalsContact O-CB 3.31Å; P1004-L1008 WeakPolarHBondContact O-CB 3.35Å; P1004-L1008 PolarHBondContact O-N 3.04Å
1005	L	87.9	Confident	87.4	Confident	28 Å²	28	71.6 Å²	71.6	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-72	-37.8	178.7	-60.3	172.6	0	0	0	111.6	I908 Y911 Q912 M946 C1002 L1003 L1008 K1009	I908-L1005 HydrophobicContact CB-CD2 4.47Å; I908-L1005 HydrophobicContact CG1-CD2 3.98Å; I908-L1005 HydrophobicContact CG2-CD1 3.63Å; I908-L1005 HydrophobicContact CG2-CD2 4Å; I908-L1005 HydrophobicContact CG2-CG 4.46Å; Y911-L1005 HydrophobicContact CD1-CD2 4.45Å; Q912-L1005 VanDerWaalsContact CD-CD1 3.42Å; Q912-L1005 HydrophobicContact CG-CD1 3.67Å; M946-L1005 HydrophobicContact CE-CD1 4.39Å; M946-L1005 HydrophobicContact SD-CD1 4.15Å; C1002-L1005 WeakPolarHBondContact O-CB 3.21Å; C1002-L1005 PolarHBondContact O-N 2.82Å; C1002-L1005 VanDerWaalsContact O-N 3.08Å; L1003-L1005 VanDerWaalsContact C-N 3.25Å; L1003-L1005 PolarHBondContact O-N 2.89Å; L1005-L1008 PolarHBondContact O-N 3.05Å; L1005-K1009 WeakPolarHBondContact O-CB 3.3Å; L1005-K1009 PolarHBondContact O-N 3.31Å
1006	V	85	Confident	86.9	Confident	38 Å²	38	70 Å²	70	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-49.4	174.4	-173.7	0	0	0	0	110.2	L949 C1002 L1003 L1008 K1009 L1010	L949-V1006 HydrophobicContact CD1-CG2 3.39Å; L949-V1006 HydrophobicContact CD2-CG1 4.39Å; L949-V1006 HydrophobicContact CD2-CG2 4.37Å; C1002-V1006 VanDerWaalsContact O-CG2 3.29Å; C1002-V1006 WeakPolarHBondContact O-CG2 3.32Å; C1002-V1006 PolarHBondContact O-N 3.36Å; C1002-V1006 VanDerWaalsContact O-N 3.12Å; L1003-V1006 PolarHBondContact O-N 3.22Å; V1006-L1008 VanDerWaalsContact C-N 3.34Å; V1006-L1008 PolarHBondContact O-N 3.34Å; V1006-K1009 PolarHBondContact O-N 3.45Å; V1006-L1010 HydrophobicContact CG1-CD1 4.12Å; V1006-L1010 HydrophobicContact CG1-CG 4.46Å; V1006-L1010 WeakPolarHBondContact O-CG 3.46Å; V1006-L1010 PolarHBondContact O-N 2.93Å
1007	L	86.3	Confident	86.2	Confident	97 Å²	97	71.2 Å²	71.2	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-45.8	178.5	-69.8	172.4	0	0	0	111.2	L1003 K1009 L1010 V1011	L1003-L1007 HydrophobicContact CG-CD1 4.27Å; L1003-L1007 WeakPolarHBondContact O-CG 3.36Å; L1003-L1007 PolarHBondContact O-N 3.41Å; L1007-K1009 VanDerWaalsContact C-N 3.3Å; L1007-K1009 PolarHBondContact O-N 3.12Å; L1007-L1010 PolarHBondContact O-N 2.81Å; L1007-V1011 WeakPolarHBondContact O-CB 3.45Å; L1007-V1011 VanDerWaalsContact O-CG2 3.25Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.4Å; L1007-V1011 PolarHBondContact O-N 3.28Å
1008	L	85.5	Confident	85.4	Confident	121 Å²	121	72.9 Å²	72.9	63%	0.634	38%	0.384	S	S	*	.	H	α-helix	trans	-63.6	-36.6	179.2	-163.4	142.4	0	0	0	112.1	P1004 L1005 V1006 R1012	P1004-L1008 VanDerWaalsContact O-CB 3.31Å; P1004-L1008 WeakPolarHBondContact O-CB 3.35Å; P1004-L1008 PolarHBondContact O-N 3.04Å; L1005-L1008 PolarHBondContact O-N 3.05Å; V1006-L1008 VanDerWaalsContact C-N 3.34Å; V1006-L1008 PolarHBondContact O-N 3.34Å; L1008-R1012 WeakPolarHBondContact O-CB 3.47Å; L1008-R1012 PolarHBondContact O-N 2.91Å
1009	K	83.2	Confident	84.6	Confident	77 Å²	77	76.1 Å²	76.1	34%	0.335	40%	0.401	S	S	.	.	H	α-helix	trans	-66.6	-45.3	174.5	-174.9	177.2	178.9	178	0	112.1	L949 L1005 V1006 L1007 R1012 L1013	L949-K1009 PolarHBondContact O-NZ 2.93Å; L1005-K1009 WeakPolarHBondContact O-CB 3.3Å; L1005-K1009 PolarHBondContact O-N 3.31Å; V1006-K1009 PolarHBondContact O-N 3.45Å; L1007-K1009 VanDerWaalsContact C-N 3.3Å; L1007-K1009 PolarHBondContact O-N 3.12Å; K1009-R1012 PolarHBondContact O-N 3.36Å; K1009-L1013 HydrophobicContact CG-CD1 4.15Å; K1009-L1013 PolarHBondContact O-N 3.16Å
1010	L	83.6	Confident	83.7	Confident	102 Å²	102	75 Å²	75	53%	0.534	39%	0.39	S	S	.	.	H	α-helix	trans	-61.5	-45.9	177.6	-71.3	172.5	0	0	0	111.4	V1006 L1007 R1012 L1013 M1014	V1006-L1010 HydrophobicContact CG1-CD1 4.12Å; V1006-L1010 HydrophobicContact CG1-CG 4.46Å; V1006-L1010 WeakPolarHBondContact O-CG 3.46Å; V1006-L1010 PolarHBondContact O-N 2.93Å; L1007-L1010 PolarHBondContact O-N 2.81Å; L1010-R1012 VanDerWaalsContact C-N 3.3Å; L1010-R1012 PolarHBondContact O-N 3.06Å; L1010-L1013 PolarHBondContact O-N 3.13Å; L1010-M1014 PolarHBondContact O-N 2.85Å
1011	V	85.6	Confident	82.8	Confident	73 Å²	73	72.7 Å²	72.7	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-57.3	-45.5	174.7	169.1	0	0	0	0	110.5	L1007 L1013 M1014 F1015	L1007-V1011 WeakPolarHBondContact O-CB 3.45Å; L1007-V1011 VanDerWaalsContact O-CG2 3.25Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.4Å; L1007-V1011 PolarHBondContact O-N 3.28Å; V1011-L1013 PolarHBondContact O-N 3.1Å; V1011-M1014 PolarHBondContact O-N 3.39Å; V1011-F1015 HydrophobicContact CG1-CD2 3.72Å; V1011-F1015 HydrophobicContact CG1-CE2 3.85Å; V1011-F1015 VanDerWaalsContact O-CD2 3.25Å; V1011-F1015 WeakPolarHBondContact O-CD2 3.45Å; V1011-F1015 PolarHBondContact O-N 3.08Å
1012	R	84	Confident	82.1	Confident	159 Å²	159	79.2 Å²	79.2	60%	0.6	41%	0.412	S	S	*	.	H	α-helix	trans	-63.8	-41.6	178.9	-173.8	177.5	179.5	-177.2	-1.2	112.9	L1008 K1009 L1010 M1014 A1016	L1008-R1012 WeakPolarHBondContact O-CB 3.47Å; L1008-R1012 PolarHBondContact O-N 2.91Å; K1009-R1012 PolarHBondContact O-N 3.36Å; L1010-R1012 VanDerWaalsContact C-N 3.3Å; L1010-R1012 PolarHBondContact O-N 3.06Å; R1012-M1014 VanDerWaalsContact C-N 3.27Å; R1012-M1014 PolarHBondContact O-N 3.37Å; R1012-A1016 CarbonylContact O-C 3.46Å; R1012-A1016 PolarHBondContact O-N 2.97Å
1013	L	79.5	Confident	81.1	Confident	80 Å²	80	82.1 Å²	82.1	42%	0.419	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-36.1	176.8	-79.6	161.6	0	0	0	111.7	K1009 L1010 V1011	K1009-L1013 HydrophobicContact CG-CD1 4.15Å; K1009-L1013 PolarHBondContact O-N 3.16Å; L1010-L1013 PolarHBondContact O-N 3.13Å; V1011-L1013 PolarHBondContact O-N 3.1Å
1014	M	83.8	Confident	79.7	Confident	135 Å²	135	84 Å²	84	67%	0.665	45%	0.447	S	S	*	.	H	α-helix	trans	-70.3	-43.8	178.8	-170.8	174.2	60.5	0	0	112.6	L1010 V1011 R1012	L1010-M1014 PolarHBondContact O-N 2.85Å; V1011-M1014 PolarHBondContact O-N 3.39Å; R1012-M1014 VanDerWaalsContact C-N 3.27Å; R1012-M1014 PolarHBondContact O-N 3.37Å
1015	F	85	Confident	79.3	Confident	161 Å²	161	85.5 Å²	85.5	71%	0.706	45%	0.452	S	S	*	.	H	α-helix	trans	-87.2	-28.9	-176.6	-73.1	-69.5	0	0	0	114.5	V1011	V1011-F1015 HydrophobicContact CG1-CD2 3.72Å; V1011-F1015 HydrophobicContact CG1-CE2 3.85Å; V1011-F1015 VanDerWaalsContact O-CD2 3.25Å; V1011-F1015 WeakPolarHBondContact O-CD2 3.45Å; V1011-F1015 PolarHBondContact O-N 3.08Å
1016	A	80.5	Confident	78.9	Confident	64 Å²	64	88.5 Å²	88.5	53%	0.529	47%	0.468	S	S	.	.	S	Bend	trans	-143.8	69.1	-175.6	0	0	0	0	0	111.2	R1012	R1012-A1016 CarbonylContact O-C 3.46Å; R1012-A1016 PolarHBondContact O-N 2.97Å
1017	P	77.4	Confident	78.5	Confident	46 Å²	46	91.3 Å²	91.3	30%	0.299	48%	0.481	S	S	.	.			trans	-62.6	140.8	178	24.3	-31.5	0	0	0	110.4	A1021 K1022	P1017-A1021 HydrophobicContact CB-CB 4.5Å; P1017-K1022 HydrophobicContact CB-CG 4.45Å; P1017-K1022 HydrophobicContact CG-CG 4.19Å; P1017-K1022 VanDerWaalsContact O-CE 3.3Å; P1017-K1022 WeakPolarHBondContact O-CE 3.15Å
1018	P	73.4	Confident	78.1	Confident	39 Å²	39	90.9 Å²	90.9	25%	0.253	48%	0.48	S	S	.	.			trans	-66.7	153.6	178.5	28.4	-33.8	0	0	0	111.1	Y1020 A1021 K1022	P1018-Y1020 HydrophobicContact CB-CD1 3.75Å; P1018-Y1020 HydrophobicContact CB-CE1 3.33Å; P1018-Y1020 HydrophobicContact CG-CD1 3.99Å; P1018-Y1020 HydrophobicContact CG-CE1 3.33Å; P1018-Y1020 HydrophobicContact CG-CE2 4.14Å; P1018-Y1020 VanDerWaalsContact CG-CZ 3.4Å; P1018-Y1020 WeakPolarHBondContact CG-OH 3.43Å; P1018-Y1020 PolarHBondContact O-N 2.88Å; P1018-Y1020 VanDerWaalsContact O-N 3.11Å; P1018-A1021 HydrophobicContact CG-CB 3.85Å; P1018-A1021 WeakPolarHBondContact O-CB 3.37Å; P1018-A1021 PolarHBondContact O-N 2.9Å; P1018-K1022 PolarHBondContact O-N 3Å
1019	N	73.9	Confident	77.6	Confident	78 Å²	78	89.1 Å²	89.1	42%	0.417	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-54	-37	-172.8	-68.9	-20.2	0	0	0	114	L887 D890 A1021 K1022 L1023	L887-N1019 HydrophobicContact CD2-CB 4.42Å; D890-N1019 PolarHBondContact OD2-ND2 3.41Å; N1019-A1021 VanDerWaalsContact C-N 3.34Å; N1019-A1021 PolarHBondContact O-N 3.25Å; N1019-K1022 PolarHBondContact O-N 3.36Å; N1019-L1023 WeakPolarHBondContact O-CG 3.38Å
1020	Y	73.3	Confident	77.3	Confident	39 Å²	39	89.9 Å²	89.9	15%	0.153	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-67.4	-34	177.6	66.7	-91.3	0	0	0	112.8	D875 H952 P1018 K1022 L1023 S1024	D875-Y1020 VanDerWaalsContact O-CD2 3.29Å; D875-Y1020 WeakPolarHBondContact O-CD2 3.38Å; D875-Y1020 WeakPolarHBondContact O-CE2 3.12Å; H952-Y1020 PolarHBondContact CD2-OH 3.19Å; H952-Y1020 PolarHBondContact NE2-OH 3.2Å; P1018-Y1020 HydrophobicContact CB-CD1 3.75Å; P1018-Y1020 HydrophobicContact CB-CE1 3.33Å; P1018-Y1020 HydrophobicContact CG-CD1 3.99Å; P1018-Y1020 HydrophobicContact CG-CE1 3.33Å; P1018-Y1020 HydrophobicContact CG-CE2 4.14Å; P1018-Y1020 VanDerWaalsContact CG-CZ 3.4Å; P1018-Y1020 WeakPolarHBondContact CG-OH 3.43Å; P1018-Y1020 PolarHBondContact O-N 2.88Å; P1018-Y1020 VanDerWaalsContact O-N 3.11Å; Y1020-K1022 PolarHBondContact O-N 3.3Å; Y1020-L1023 PolarHBondContact O-N 3.47Å; Y1020-S1024 PolarHBondContact O-N 3.19Å
1021	A	72.4	Confident	76.8	Confident	35 Å²	35	89 Å²	89	29%	0.289	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-73.6	-17.7	177.8	0	0	0	0	0	112.4	P1017 P1018 N1019 L1023 S1024	P1017-A1021 HydrophobicContact CB-CB 4.5Å; P1018-A1021 HydrophobicContact CG-CB 3.85Å; P1018-A1021 WeakPolarHBondContact O-CB 3.37Å; P1018-A1021 PolarHBondContact O-N 2.9Å; N1019-A1021 VanDerWaalsContact C-N 3.34Å; N1019-A1021 PolarHBondContact O-N 3.25Å; A1021-L1023 VanDerWaalsContact C-N 3.34Å; A1021-S1024 WeakPolarHBondContact CA-OG 3.47Å; A1021-S1024 PolarHBondContact O-OG 2.95Å
1022	K	76.7	Confident	76.1	Confident	136 Å²	136	90.2 Å²	90.2	59%	0.591	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-80.1	-18.5	171.9	-61.6	-179.6	178.9	177.9	0	112.9	P1017 P1018 N1019 Y1020	P1017-K1022 HydrophobicContact CB-CG 4.45Å; P1017-K1022 HydrophobicContact CG-CG 4.19Å; P1017-K1022 VanDerWaalsContact O-CE 3.3Å; P1017-K1022 WeakPolarHBondContact O-CE 3.15Å; P1018-K1022 PolarHBondContact O-N 3Å; N1019-K1022 PolarHBondContact O-N 3.36Å; Y1020-K1022 PolarHBondContact O-N 3.3Å
1023	L	69	Low	75.5	Confident	68 Å²	68	84.5 Å²	84.5	36%	0.356	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-12.2	-176.9	-65.5	168.9	0	0	0	112.6	V880 F884 L887 N1019 Y1020 A1021	V880-L1023 HydrophobicContact CG1-CB 4.05Å; F884-L1023 HydrophobicContact CB-CD1 4.04Å; F884-L1023 HydrophobicContact CD1-CD2 4.21Å; F884-L1023 HydrophobicContact CD2-CB 4.43Å; F884-L1023 HydrophobicContact CD2-CD1 4.35Å; F884-L1023 HydrophobicContact CD2-CD2 4.26Å; F884-L1023 HydrophobicContact CE1-CD2 4.25Å; F884-L1023 HydrophobicContact CE2-CD2 4.3Å; F884-L1023 HydrophobicContact CG-CD1 4.14Å; F884-L1023 HydrophobicContact CG-CD2 4.21Å; F884-L1023 HydrophobicContact CZ-CD2 4.29Å; L887-L1023 HydrophobicContact CD1-CD1 4.05Å; L887-L1023 HydrophobicContact CD2-CD1 3.85Å; L887-L1023 HydrophobicContact CG-CD1 3.93Å; N1019-L1023 WeakPolarHBondContact O-CG 3.38Å; Y1020-L1023 PolarHBondContact O-N 3.47Å; A1021-L1023 VanDerWaalsContact C-N 3.34Å
1024	S	60.8	Low	75.1	Confident	133 Å²	133	84.9 Å²	84.9	93%	0.93	47%	0.472	S	S	*	.			trans	-92.9	0	173.9	62	0	0	0	0	110.8	Y1020 A1021	Y1020-S1024 PolarHBondContact O-N 3.19Å; A1021-S1024 WeakPolarHBondContact CA-OG 3.47Å; A1021-S1024 PolarHBondContact O-OG 2.95Å

Retrieved 1,024 of 1,024 residues in 3346.4 ms (Link to these results)

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