A0A087XB38_POEFO Loading...

Connector enhancer of kinase suppressor of Ras 1

AlphaFold DB , UniProt , Accession A0A087XB38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 874 aa.

						>A0A087XB38_POEFO|A0A087XB38
MEPIAAWSEERVTKWLQGLDAPTDQYQVSEWHLSGLDLLQLTSQDLEVLGVQKIGHQELILEAVEKLCSLTYGMGGETLRGLTEKLRVVAHSLPMAIQGGWRHNSYDGRSATKLPVGVLKNVIELITSARGLFCLLNRYQLSQLSRYTSTQSIFTHCKNLRDIVHKDSTVYEKEKDIISVCRQLVEVCDEILNSSSDALLTHTAQLESVSLVPATPSDQLGIEITSTSSSNHYVTGTAAEPSSDAYLQVLSGDEVIQVNDQIVVGWSRAKLIEKLRENPSGVTLIIKRIPGSLRRKHSIQITPVQKEEEERRGSSDEEEPEDKEENQRHSIFERVAASVRSLSFRRAVHGPEVRQQPMGQEESELPSDREQERTVTLAAFQNRPGRLSPLPASVAESSDGSRLSPNLRRDRSPSPRSPSPFEFSSERSSVSSCPDMVGHTSNKETKKSSKKGMSTALSRRRVSCRDLAHPDCDGWLWKKRKESSVFITQKWQRFWFVLQGPNLYWYNTQQDEKAEGLLNISSYSLEGGGEHKRKHVFQMTHQKFQNFFFSVDSATDLSKWINSLITAIQKHKRLQKGPDNEEECYSETESESESSPSSRRKNKQKVQSNTLPRPKGKINKAPLPTSSTEGSKDGGTVDEMGMMFNNLKEGGVSLIGHEQPFTQDHFRKSFIRRNKNPVINEKVHTLRALQSTLKAKEAELLQISKLLDDSDLTASKYRWWKDQNEELVSEIEKLASVAGGRDVARAEGGEDVAAAADSRDIAPAEGGEDVAPAEGGEDVAPVRDTPAEDVALETVATETAAAETEGAYRLSLSDGEQLVDAEPSDVLLEIPQETQSPESSPVLELSLGSLSDSINNQLRKNAESRDAGDHYFYI
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	73.7	Confident	86.2	Confident	95 Å²	95	65.3 Å²	65.3	47%	0.468	36%	0.364	S	S	.	.				0	131.9	0	-174.7	172.8	-76.5	0	0	108.4	L70 L206 I256 Q257 I262 I285	M1-L70 HydrophobicContact SD-CD2 4.26Å; M1-L206 HydrophobicContact CB-CD1 4.26Å; M1-L206 HydrophobicContact CE-CD1 3.85Å; M1-L206 HydrophobicContact SD-CD1 3.63Å; M1-I256 HydrophobicContact CE-CB 4.28Å; M1-I256 HydrophobicContact CE-CG2 3.52Å; M1-I256 HydrophobicContact SD-CG2 4.43Å; M1-Q257 HydrophobicContact CE-CB 4.16Å; M1-I262 HydrophobicContact CE-CD1 3.76Å; M1-I262 HydrophobicContact CE-CG1 4.18Å; M1-I262 HydrophobicContact CG-CD1 4.11Å; M1-I262 HydrophobicContact SD-CD1 3.65Å; M1-I285 HydrophobicContact CB-CD1 4.38Å; M1-I285 HydrophobicContact CE-CB 4.37Å; M1-I285 HydrophobicContact CE-CD1 4.24Å; M1-I285 HydrophobicContact CE-CG2 4.12Å
2	E	79.8	Confident	86.6	Confident	83 Å²	83	59.9 Å²	59.9	39%	0.388	34%	0.335	S	S	.	.			trans	-79.7	142.8	173.6	-179.9	176.7	-121.7	0	0	110.1	I4 A6 R11	E2-I4 PolarHBondContact O-N 3Å; E2-A6 HydrophobicContact CG-CB 4.09Å; E2-R11 IonicContact OE2-CZ 3.1Å; E2-R11 IonicContact OE2-NH1 3.52Å; E2-R11 PolarHBondContact OE2-NH1 3.49Å
3	P	83.6	Confident	86.9	Confident	90 Å²	90	56.7 Å²	56.7	58%	0.584	32%	0.317	S	S	*	.			trans	-59.1	134.8	173.1	-21.9	33.6	0	0	0	111.4	A5 A6	P3-A5 PolarHBondContact O-N 3.31Å; P3-A6 WeakPolarHBondContact O-CB 3.49Å; P3-A6 PolarHBondContact O-N 2.87Å
4	I	86.1	Confident	87	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-59.7	-33.3	-177.8	-68.2	157.8	0	0	0	111.7	E2 A6 W7 G35 L39 L67 L70 T71 I262	E2-I4 PolarHBondContact O-N 3Å; I4-A6 PolarHBondContact O-N 3.38Å; I4-A6 VanDerWaalsContact O-N 3.13Å; I4-W7 HydrophobicContact CB-CD2 4.4Å; I4-W7 HydrophobicContact CG1-CD2 4.39Å; I4-W7 HydrophobicContact CG1-CH2 4.06Å; I4-W7 HydrophobicContact CG1-CZ2 3.66Å; I4-W7 HydrophobicContact CG2-CD2 4.09Å; I4-W7 HydrophobicContact CG2-CE3 4.01Å; I4-W7 HydrophobicContact CG2-CH2 4.48Å; I4-W7 HydrophobicContact CG2-CZ3 4.19Å; I4-W7 WeakPolarHBondContact O-CB 3.48Å; I4-W7 PolarHBondContact O-N 3.05Å; I4-W7 VanDerWaalsContact O-N 3.14Å; I4-G35 WeakPolarHBondContact O-CA 3.34Å; I4-L39 HydrophobicContact CB-CD1 4.25Å; I4-L39 HydrophobicContact CG2-CD1 3.93Å; I4-L39 HydrophobicContact CG2-CD2 3.85Å; I4-L39 HydrophobicContact CG2-CG 3.89Å; I4-L67 HydrophobicContact CD1-CB 4.21Å; I4-L67 HydrophobicContact CD1-CD2 3.91Å; I4-L67 HydrophobicContact CG2-CD1 4.38Å; I4-L70 HydrophobicContact CD1-CD2 4.08Å; I4-T71 VanDerWaalsContact CD1-OG1 3.24Å; I4-T71 WeakPolarHBondContact CD1-OG1 3.47Å; I4-I262 HydrophobicContact CD1-CD1 4.38Å; I4-I262 HydrophobicContact CG1-CD1 4.39Å
5	A	85.1	Confident	87.3	Confident	40 Å²	40	56.1 Å²	56.1	33%	0.331	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-61.7	-15.3	173.1	0	0	0	0	0	115.2	P3 L36 L39	P3-A5 PolarHBondContact O-N 3.31Å; A5-L36 HydrophobicContact CB-CD2 3.74Å; A5-L36 HydrophobicContact CB-CG 4.23Å; A5-L39 HydrophobicContact CB-CD1 4.09Å
6	A	87.4	Confident	87.5	Confident	59 Å²	59	52.9 Å²	52.9	49%	0.488	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-97.8	-1.2	177.8	0	0	0	0	0	113.4	E2 P3 I4	E2-A6 HydrophobicContact CG-CB 4.09Å; P3-A6 WeakPolarHBondContact O-CB 3.49Å; P3-A6 PolarHBondContact O-N 2.87Å; I4-A6 PolarHBondContact O-N 3.38Å; I4-A6 VanDerWaalsContact O-N 3.13Å
7	W	92.5	Very high	87.6	Confident	6 Å²	6	54.6 Å²	54.6	2%	0.023	29%	0.294	C	S	.	.			trans	-64.7	135.6	-176	-72.3	2.6	0	0	0	113.2	I4 R11 V12 W15 G35 L38 L67 I262	I4-W7 HydrophobicContact CB-CD2 4.4Å; I4-W7 HydrophobicContact CG1-CD2 4.39Å; I4-W7 HydrophobicContact CG1-CH2 4.06Å; I4-W7 HydrophobicContact CG1-CZ2 3.66Å; I4-W7 HydrophobicContact CG2-CD2 4.09Å; I4-W7 HydrophobicContact CG2-CE3 4.01Å; I4-W7 HydrophobicContact CG2-CH2 4.48Å; I4-W7 HydrophobicContact CG2-CZ3 4.19Å; I4-W7 WeakPolarHBondContact O-CB 3.48Å; I4-W7 PolarHBondContact O-N 3.05Å; I4-W7 VanDerWaalsContact O-N 3.14Å; W7-R11 HydrophobicContact CB-CB 4.27Å; W7-R11 HydrophobicContact CB-CG 4.48Å; W7-R11 HydrophobicContact CD2-CG 4Å; W7-R11 HydrophobicContact CE3-CG 4.37Å; W7-R11 HydrophobicContact CG-CB 4.4Å; W7-R11 HydrophobicContact CG-CG 4.09Å; W7-V12 HydrophobicContact CB-CG2 4.09Å; W7-V12 HydrophobicContact CE3-CG2 4.16Å; W7-W15 HydrophobicContact CH2-CB 4.42Å; W7-W15 HydrophobicContact CH2-CG 4.29Å; W7-W15 HydrophobicContact CZ3-CB 3.91Å; W7-W15 AromaticContact CZ3-CG 3.98Å; W7-W15 HydrophobicContact CZ3-CG 3.98Å; W7-G35 PolarHBondContact O-N 2.86Å; W7-L38 HydrophobicContact CE3-CD2 4.32Å; W7-L38 HydrophobicContact CZ3-CD2 4.25Å; W7-L67 HydrophobicContact CH2-CD1 4.47Å; W7-L67 HydrophobicContact CH2-CD2 4.42Å; W7-L67 HydrophobicContact CZ3-CD1 4.16Å; W7-I262 HydrophobicContact CH2-CB 3.88Å; W7-I262 HydrophobicContact CH2-CD1 4.28Å; W7-I262 HydrophobicContact CH2-CG1 4.31Å; W7-I262 HydrophobicContact CH2-CG2 4.31Å; W7-I262 HydrophobicContact CZ2-CB 3.94Å; W7-I262 HydrophobicContact CZ2-CD1 3.68Å; W7-I262 HydrophobicContact CZ2-CG1 3.85Å
8	S	90.4	Very high	87.4	Confident	68 Å²	68	51.7 Å²	51.7	48%	0.476	28%	0.278	S	S	.	.			trans	-69.7	158.8	167.7	60.7	0	0	0	0	112.2	E10 R11 V12	S8-E10 VanDerWaalsContact C-N 3.25Å; S8-E10 PolarHBondContact O-N 3.41Å; S8-R11 WeakPolarHBondContact O-CB 3.42Å; S8-R11 PolarHBondContact O-N 3.01Å; S8-V12 PolarHBondContact O-N 3.35Å
9	E	91.3	Very high	87.1	Confident	91 Å²	91	49.4 Å²	49.4	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-52.5	-41.5	175.9	-64.2	167.8	-134.4	0	0	112.4	R11 V12 T13 H32 L33	E9-R11 VanDerWaalsContact C-N 3.29Å; E9-R11 PolarHBondContact O-N 3.02Å; E9-V12 PolarHBondContact O-N 2.79Å; E9-T13 WeakPolarHBondContact O-CB 3.47Å; E9-T13 PolarHBondContact O-N 2.99Å; E9-T13 PolarHBondContact O-OG1 3.12Å; E9-H32 IonicContact OE2-CE1 3.4Å; E9-H32 IonicContact OE2-CG 3.86Å; E9-H32 IonicContact OE2-ND1 2.63Å; E9-H32 PolarHBondContact OE2-ND1 2.74Å; E9-L33 WeakPolarHBondContact CA-O 3.41Å
10	E	89.2	Confident	86.6	Confident	131 Å²	131	49.8 Å²	49.8	61%	0.612	27%	0.268	S	S	*	.	H	α-helix	trans	-58.2	-39.5	175	-68.5	-172.9	-151.3	0	0	112.9	S8 K14	S8-E10 VanDerWaalsContact C-N 3.25Å; S8-E10 PolarHBondContact O-N 3.41Å; E10-K14 WeakPolarHBondContact O-CB 3.37Å; E10-K14 WeakPolarHBondContact O-CD 3.37Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 3.48Å; E10-K14 IonicContact OE2-NZ 2.75Å; E10-K14 PolarHBondContact OE2-NZ 3.09Å
11	R	89.2	Confident	85.5	Confident	50 Å²	50	50.4 Å²	50.4	19%	0.189	28%	0.28	C	S	.	.	H	α-helix	trans	-76	-35.1	-177.9	-167.1	170.7	-165	159.9	15.4	111.4	E2 W7 S8 E9 W15 D260	E2-R11 IonicContact OE2-CZ 3.1Å; E2-R11 IonicContact OE2-NH1 3.52Å; E2-R11 PolarHBondContact OE2-NH1 3.49Å; W7-R11 HydrophobicContact CB-CB 4.27Å; W7-R11 HydrophobicContact CB-CG 4.48Å; W7-R11 HydrophobicContact CD2-CG 4Å; W7-R11 HydrophobicContact CE3-CG 4.37Å; W7-R11 HydrophobicContact CG-CB 4.4Å; W7-R11 HydrophobicContact CG-CG 4.09Å; S8-R11 WeakPolarHBondContact O-CB 3.42Å; S8-R11 PolarHBondContact O-N 3.01Å; E9-R11 VanDerWaalsContact C-N 3.29Å; E9-R11 PolarHBondContact O-N 3.02Å; R11-W15 WeakPolarHBondContact O-CB 3.47Å; R11-W15 PolarHBondContact O-N 3.34Å; R11-D260 PolarHBondContact NH2-O 3.27Å
12	V	90.9	Very high	85	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-47.5	170.9	171.8	0	0	0	0	110.9	W7 S8 E9 K14 W15 L16 L33 L38	W7-V12 HydrophobicContact CB-CG2 4.09Å; W7-V12 HydrophobicContact CE3-CG2 4.16Å; S8-V12 PolarHBondContact O-N 3.35Å; E9-V12 PolarHBondContact O-N 2.79Å; V12-K14 PolarHBondContact O-N 2.71Å; V12-W15 PolarHBondContact O-N 2.91Å; V12-W15 VanDerWaalsContact O-N 3.16Å; V12-L16 HydrophobicContact CG1-CD1 3.82Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 WeakPolarHBondContact O-CG 3.28Å; V12-L16 PolarHBondContact O-N 3.05Å; V12-L33 WeakPolarHBondContact CB-O 3.42Å; V12-L33 HydrophobicContact CG1-CB 3.91Å; V12-L33 WeakPolarHBondContact CG2-O 3.22Å; V12-L38 HydrophobicContact CG1-CB 4.31Å; V12-L38 HydrophobicContact CG1-CD1 4.11Å; V12-L38 HydrophobicContact CG1-CD2 4.05Å; V12-L38 HydrophobicContact CG1-CG 4.38Å; V12-L38 HydrophobicContact CG2-CB 4.46Å; V12-L38 HydrophobicContact CG2-CD2 4.16Å
13	T	90.3	Very high	84.5	Confident	18 Å²	18	43.7 Å²	43.7	11%	0.11	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-48.9	177	-59.4	0	0	0	0	111.2	E9 W15 L16 Q17 V28	E9-T13 WeakPolarHBondContact O-CB 3.47Å; E9-T13 PolarHBondContact O-N 2.99Å; E9-T13 PolarHBondContact O-OG1 3.12Å; T13-W15 VanDerWaalsContact C-N 3.31Å; T13-W15 PolarHBondContact O-N 2.92Å; T13-L16 PolarHBondContact O-N 3.09Å; T13-Q17 VanDerWaalsContact O-CG 3.3Å; T13-Q17 WeakPolarHBondContact O-CG 3.29Å; T13-Q17 PolarHBondContact O-N 3.48Å; T13-V28 HydrophobicContact CG2-CG1 4.16Å
14	K	88.6	Confident	84.1	Confident	105 Å²	105	43.4 Å²	43.4	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-36.2	175.6	-75.7	165	-178.3	158.4	0	112.7	E10 V12 W266	E10-K14 WeakPolarHBondContact O-CB 3.37Å; E10-K14 WeakPolarHBondContact O-CD 3.37Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 3.48Å; E10-K14 IonicContact OE2-NZ 2.75Å; E10-K14 PolarHBondContact OE2-NZ 3.09Å; V12-K14 PolarHBondContact O-N 2.71Å; K14-W266 WeakPolarHBondContact O-CZ2 3.34Å
15	W	92.3	Very high	83.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-45	174.7	178.6	77.4	0	0	0	112.7	W7 R11 V12 T13 Q17 G18 L19 L38 A63 V64 L67 V264 W266	W7-W15 HydrophobicContact CH2-CB 4.42Å; W7-W15 HydrophobicContact CH2-CG 4.29Å; W7-W15 HydrophobicContact CZ3-CB 3.91Å; W7-W15 AromaticContact CZ3-CG 3.98Å; W7-W15 HydrophobicContact CZ3-CG 3.98Å; R11-W15 WeakPolarHBondContact O-CB 3.47Å; R11-W15 PolarHBondContact O-N 3.34Å; V12-W15 PolarHBondContact O-N 2.91Å; V12-W15 VanDerWaalsContact O-N 3.16Å; T13-W15 VanDerWaalsContact C-N 3.31Å; T13-W15 PolarHBondContact O-N 2.92Å; W15-Q17 VanDerWaalsContact C-N 3.33Å; W15-Q17 PolarHBondContact O-N 3.09Å; W15-G18 PolarHBondContact O-N 3.11Å; W15-L19 HydrophobicContact CH2-CD1 4.11Å; W15-L19 HydrophobicContact CH2-CD2 3.86Å; W15-L19 HydrophobicContact CZ2-CD2 3.66Å; W15-L19 HydrophobicContact CZ3-CD1 4.08Å; W15-L19 HydrophobicContact CZ3-CD2 4.34Å; W15-L38 HydrophobicContact CE3-CD1 4.25Å; W15-L38 HydrophobicContact CE3-CD2 3.85Å; W15-L38 HydrophobicContact CZ3-CD1 3.92Å; W15-L38 HydrophobicContact CZ3-CD2 4.08Å; W15-L38 HydrophobicContact CZ3-CG 4.43Å; W15-A63 HydrophobicContact CH2-CB 3.52Å; W15-A63 HydrophobicContact CZ2-CB 3.76Å; W15-V64 HydrophobicContact CH2-CG2 4.17Å; W15-V64 HydrophobicContact CZ3-CG2 4.23Å; W15-L67 HydrophobicContact CD2-CD1 3.77Å; W15-L67 HydrophobicContact CE3-CD1 3.93Å; W15-L67 HydrophobicContact CH2-CD1 3.62Å; W15-L67 HydrophobicContact CH2-CG 3.99Å; W15-L67 HydrophobicContact CZ2-CD1 3.43Å; W15-L67 VanDerWaalsContact CZ2-CD1 3.43Å; W15-L67 HydrophobicContact CZ2-CD2 4.06Å; W15-L67 HydrophobicContact CZ2-CG 3.49Å; W15-L67 VanDerWaalsContact CZ2-CG 3.49Å; W15-L67 HydrophobicContact CZ3-CD1 3.88Å; W15-V264 WeakPolarHBondContact CZ2-O 3.35Å; W15-V264 PolarHBondContact NE1-O 3.48Å; W15-W266 AromaticContact CD1-CD1 3.92Å; W15-W266 AromaticContact CD1-NE1 3.27Å; W15-W266 VanDerWaalsContact CD1-NE1 3.27Å; W15-W266 AromaticContact CG-NE1 3.91Å; W15-W266 AromaticContact NE1-CD1 3.75Å; W15-W266 AromaticContact NE1-NE1 3.59Å; W15-W266 PolarHBondContact O-NE1 3.23Å
16	L	89.5	Confident	83.8	Confident	5 Å²	5	49 Å²	49	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-36.9	-179.8	-76.3	169.2	0	0	0	112.3	V12 T13 G18 L19 V28 W31 L33 L38 I60	V12-L16 HydrophobicContact CG1-CD1 3.82Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 WeakPolarHBondContact O-CG 3.28Å; V12-L16 PolarHBondContact O-N 3.05Å; T13-L16 PolarHBondContact O-N 3.09Å; L16-G18 PolarHBondContact O-N 3.23Å; L16-G18 VanDerWaalsContact O-N 3.14Å; L16-L19 HydrophobicContact CD2-CD1 3.93Å; L16-L19 WeakPolarHBondContact O-CG 3.24Å; L16-L19 PolarHBondContact O-N 3.44Å; L16-V28 HydrophobicContact CB-CG1 3.54Å; L16-V28 HydrophobicContact CD1-CG1 3.57Å; L16-V28 HydrophobicContact CG-CG1 4.19Å; L16-W31 HydrophobicContact CD1-CE3 3.98Å; L16-W31 HydrophobicContact CD1-CZ3 4.12Å; L16-L33 HydrophobicContact CD1-CD1 4.43Å; L16-L38 HydrophobicContact CD1-CD1 4.47Å; L16-L38 HydrophobicContact CD2-CD1 4.21Å; L16-L38 HydrophobicContact CG-CD1 4.47Å; L16-I60 HydrophobicContact CD2-CG2 4.17Å
17	Q	88.9	Confident	83.6	Confident	82 Å²	82	52.3 Å²	52.3	38%	0.383	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13	175.8	-74.5	170	-13	0	0	114.7	T13 W15 K270	T13-Q17 VanDerWaalsContact O-CG 3.3Å; T13-Q17 WeakPolarHBondContact O-CG 3.29Å; T13-Q17 PolarHBondContact O-N 3.48Å; W15-Q17 VanDerWaalsContact C-N 3.33Å; W15-Q17 PolarHBondContact O-N 3.09Å; Q17-K270 WeakPolarHBondContact O-CE 3.49Å; Q17-K270 PolarHBondContact O-NZ 2.79Å
18	G	84.1	Confident	83.1	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.3	178.3	0	0	0	0	0	115.5	W15 L16 W266 S267 K270	W15-G18 PolarHBondContact O-N 3.11Å; L16-G18 PolarHBondContact O-N 3.23Å; L16-G18 VanDerWaalsContact O-N 3.14Å; G18-W266 VanDerWaalsContact O-CA 3.3Å; G18-W266 WeakPolarHBondContact O-CA 3.31Å; G18-W266 WeakPolarHBondContact O-CB 3.5Å; G18-S267 PolarHBondContact O-N 2.85Å; G18-K270 WeakPolarHBondContact O-CB 3.22Å
19	L	82.1	Confident	82.7	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.042	27%	0.27	C	S	.	.	S	Bend	trans	-65.7	-75.1	-173.3	-65	-173.3	0	0	0	112.5	W15 L16 I60 A63 G265 S267	W15-L19 HydrophobicContact CH2-CD1 4.11Å; W15-L19 HydrophobicContact CH2-CD2 3.86Å; W15-L19 HydrophobicContact CZ2-CD2 3.66Å; W15-L19 HydrophobicContact CZ3-CD1 4.08Å; W15-L19 HydrophobicContact CZ3-CD2 4.34Å; L16-L19 HydrophobicContact CD2-CD1 3.93Å; L16-L19 WeakPolarHBondContact O-CG 3.24Å; L16-L19 PolarHBondContact O-N 3.44Å; L19-I60 HydrophobicContact CD1-CG1 4.23Å; L19-A63 HydrophobicContact CD1-CB 3.92Å; L19-A63 HydrophobicContact CD2-CB 3.51Å; L19-A63 HydrophobicContact CG-CB 4.36Å; L19-G265 WeakPolarHBondContact CD2-O 3.18Å; L19-S267 VanDerWaalsContact O-CB 3.23Å; L19-S267 WeakPolarHBondContact O-CB 3.43Å; L19-S267 PolarHBondContact O-N 3.45Å
20	D	77.4	Confident	82.4	Confident	58 Å²	58	54.1 Å²	54.1	31%	0.31	28%	0.277	S	S	.	.			trans	-156.7	157.5	-179.2	-165.9	15.9	0	0	0	112.5	P22 T23 D24	D20-P22 VanDerWaalsContact C-N 3.31Å; D20-P22 VanDerWaalsContact OD2-CD 3.23Å; D20-P22 WeakPolarHBondContact OD2-CD 3.46Å; D20-T23 PolarHBondContact N-OG1 2.98Å; D20-T23 PolarHBondContact O-N 2.76Å; D20-T23 PolarHBondContact O-OG1 3.4Å; D20-D24 PolarHBondContact O-N 2.63Å
21	A	62.6	Low	82.4	Confident	63 Å²	63	49.1 Å²	49.1	52%	0.521	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30	-178.8	0	0	0	0	0	115.2	T23 D24	A21-T23 VanDerWaalsContact C-N 3.26Å; A21-T23 PolarHBondContact O-N 3Å; A21-D24 PolarHBondContact O-N 3.45Å
22	P	64.3	Low	82.3	Confident	32 Å²	32	52.6 Å²	52.6	21%	0.208	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.2	171.8	-19.7	33.9	0	0	0	114.1	D20 H56	D20-P22 VanDerWaalsContact C-N 3.31Å; D20-P22 VanDerWaalsContact OD2-CD 3.23Å; D20-P22 WeakPolarHBondContact OD2-CD 3.46Å; P22-H56 PolarHBondContact O-CE1 3.44Å; P22-H56 PolarHBondContact O-ND1 2.94Å
23	T	68.5	Low	82.2	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-20.6	174.5	51	0	0	0	0	113.7	D20 A21 Q25 Y26 I60	D20-T23 PolarHBondContact N-OG1 2.98Å; D20-T23 PolarHBondContact O-N 2.76Å; D20-T23 PolarHBondContact O-OG1 3.4Å; A21-T23 VanDerWaalsContact C-N 3.26Å; A21-T23 PolarHBondContact O-N 3Å; T23-Q25 PolarHBondContact O-N 3.33Å; T23-Y26 PolarHBondContact O-N 3.11Å; T23-I60 HydrophobicContact CG2-CD1 4.01Å; T23-I60 HydrophobicContact CG2-CG1 3.8Å
24	D	75.6	Confident	82.2	Confident	83 Å²	83	54.3 Å²	54.3	44%	0.444	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-6.4	170.3	-66	-29.7	0	0	0	113	D20 A21 Y26 K270	D20-D24 PolarHBondContact O-N 2.63Å; A21-D24 PolarHBondContact O-N 3.45Å; D24-Y26 VanDerWaalsContact C-N 3.31Å; D24-K270 IonicContact OD1-NZ 3.27Å; D24-K270 PolarHBondContact OD1-NZ 2.74Å; D24-K270 WeakPolarHBondContact OD2-CE 3.3Å; D24-K270 IonicContact OD2-NZ 3.62Å; D24-K270 PolarHBondContact OD2-NZ 3.16Å
25	Q	79.8	Confident	82.1	Confident	118 Å²	118	49.3 Å²	49.3	55%	0.551	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-9	174.1	-64.8	175.3	20	0	0	114	T23	T23-Q25 PolarHBondContact O-N 3.33Å
26	Y	84.1	Confident	81.8	Confident	45 Å²	45	53.7 Å²	53.7	18%	0.176	28%	0.282	C	S	.	.	S	Bend	trans	-110.2	144.6	-176.1	-60.8	-68.6	0	0	0	112.1	T23 D24 V28 W31 V51 H56	T23-Y26 PolarHBondContact O-N 3.11Å; D24-Y26 VanDerWaalsContact C-N 3.31Å; Y26-V28 PolarHBondContact O-N 3.15Å; Y26-W31 HydrophobicContact CD2-CZ2 4.45Å; Y26-W31 AromaticContact CG-CZ2 3.98Å; Y26-W31 HydrophobicContact CG-CZ2 3.98Å; Y26-V51 HydrophobicContact CD1-CG2 4.15Å; Y26-V51 HydrophobicContact CD2-CG2 4.15Å; Y26-V51 HydrophobicContact CE1-CB 4.4Å; Y26-V51 HydrophobicContact CE1-CG2 4.04Å; Y26-V51 HydrophobicContact CE2-CB 4.46Å; Y26-V51 HydrophobicContact CE2-CG1 3.93Å; Y26-V51 HydrophobicContact CE2-CG2 4.03Å; Y26-V51 HydrophobicContact CG-CG2 4.22Å; Y26-H56 HydrophobicContact CE2-CB 4.07Å; Y26-H56 AromaticContact CE2-ND1 3.38Å; Y26-H56 WeakPolarHBondContact CE2-ND1 3.44Å; Y26-H56 AromaticContact CZ-ND1 3.64Å; Y26-H56 PolarHBondContact OH-ND1 3.34Å; Y26-H56 VanDerWaalsContact OH-ND1 3.12Å
27	Q	83.2	Confident	81.7	Confident	129 Å²	129	56.9 Å²	56.9	60%	0.603	30%	0.3	S	S	*	.			trans	-76.5	66.7	171	-62.5	-147.5	102.8	0	0	111.1	S29 E30	Q27-S29 PolarHBondContact O-N 3.02Å; Q27-S29 VanDerWaalsContact O-N 3.08Å; Q27-E30 HydrophobicContact CB-CB 4.44Å; Q27-E30 HydrophobicContact CB-CG 3.98Å; Q27-E30 WeakPolarHBondContact CB-OE2 3.32Å; Q27-E30 PolarHBondContact NE2-OE1 2.93Å; Q27-E30 VanDerWaalsContact NE2-OE1 3.12Å; Q27-E30 PolarHBondContact NE2-OE2 3.47Å; Q27-E30 WeakPolarHBondContact O-CB 3.47Å; Q27-E30 PolarHBondContact O-N 3.47Å
28	V	83.6	Confident	81.7	Confident	9 Å²	9	53 Å²	53	6%	0.055	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-54.3	-29.8	-178.9	177.4	0	0	0	0	112.5	T13 L16 Y26 E30 W31	T13-V28 HydrophobicContact CG2-CG1 4.16Å; L16-V28 HydrophobicContact CB-CG1 3.54Å; L16-V28 HydrophobicContact CD1-CG1 3.57Å; L16-V28 HydrophobicContact CG-CG1 4.19Å; Y26-V28 PolarHBondContact O-N 3.15Å; V28-E30 PolarHBondContact O-N 2.91Å; V28-W31 HydrophobicContact CG1-CE3 4.23Å; V28-W31 HydrophobicContact CG2-CE3 4.47Å; V28-W31 HydrophobicContact CG2-CH2 4.24Å; V28-W31 HydrophobicContact CG2-CZ2 4.37Å; V28-W31 HydrophobicContact CG2-CZ3 4.29Å; V28-W31 WeakPolarHBondContact O-CB 3.42Å; V28-W31 PolarHBondContact O-N 3.42Å; V28-W31 VanDerWaalsContact O-N 3.15Å
29	S	82.4	Confident	81.7	Confident	73 Å²	73	53.7 Å²	53.7	51%	0.51	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.6	-23.2	175	-49.3	0	0	0	0	114.2	Q27	Q27-S29 PolarHBondContact O-N 3.02Å; Q27-S29 VanDerWaalsContact O-N 3.08Å
30	E	84.7	Confident	81.8	Confident	121 Å²	121	59.2 Å²	59.2	57%	0.565	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-90.1	-3.7	179	-58.7	-178.1	139.5	0	0	112.6	Q27 V28 H32	Q27-E30 HydrophobicContact CB-CB 4.44Å; Q27-E30 HydrophobicContact CB-CG 3.98Å; Q27-E30 WeakPolarHBondContact CB-OE2 3.32Å; Q27-E30 PolarHBondContact NE2-OE1 2.93Å; Q27-E30 VanDerWaalsContact NE2-OE1 3.12Å; Q27-E30 PolarHBondContact NE2-OE2 3.47Å; Q27-E30 WeakPolarHBondContact O-CB 3.47Å; Q27-E30 PolarHBondContact O-N 3.47Å; V28-E30 PolarHBondContact O-N 2.91Å; E30-H32 PolarHBondContact O-CD2 3.3Å; E30-H32 VanDerWaalsContact O-CD2 3.22Å
31	W	88.2	Confident	82.2	Confident	25 Å²	25	57.2 Å²	57.2	10%	0.095	30%	0.3	C	S	.	.	S	Bend	trans	-80.7	-18.7	-174.9	-66.7	0.4	0	0	0	114	L16 Y26 V28 L33 L46 L49 V51 I60	L16-W31 HydrophobicContact CD1-CE3 3.98Å; L16-W31 HydrophobicContact CD1-CZ3 4.12Å; Y26-W31 HydrophobicContact CD2-CZ2 4.45Å; Y26-W31 AromaticContact CG-CZ2 3.98Å; Y26-W31 HydrophobicContact CG-CZ2 3.98Å; V28-W31 HydrophobicContact CG1-CE3 4.23Å; V28-W31 HydrophobicContact CG2-CE3 4.47Å; V28-W31 HydrophobicContact CG2-CH2 4.24Å; V28-W31 HydrophobicContact CG2-CZ2 4.37Å; V28-W31 HydrophobicContact CG2-CZ3 4.29Å; V28-W31 WeakPolarHBondContact O-CB 3.42Å; V28-W31 PolarHBondContact O-N 3.42Å; V28-W31 VanDerWaalsContact O-N 3.15Å; W31-L33 HydrophobicContact CB-CD1 4.35Å; W31-L33 HydrophobicContact CB-CG 4.09Å; W31-L33 HydrophobicContact CE3-CD1 4.04Å; W31-L33 PolarHBondContact O-N 3.17Å; W31-L46 HydrophobicContact CH2-CD2 4.26Å; W31-L46 HydrophobicContact CZ3-CD2 4.29Å; W31-L49 HydrophobicContact CB-CD1 4.48Å; W31-L49 HydrophobicContact CB-CD2 3.97Å; W31-L49 HydrophobicContact CD2-CB 4.23Å; W31-L49 HydrophobicContact CD2-CD1 4.09Å; W31-L49 HydrophobicContact CD2-CD2 4.45Å; W31-L49 HydrophobicContact CD2-CG 4.49Å; W31-L49 HydrophobicContact CE3-CD1 4.15Å; W31-L49 HydrophobicContact CG-CB 4.4Å; W31-L49 HydrophobicContact CG-CD1 4.27Å; W31-L49 HydrophobicContact CG-CD2 3.87Å; W31-L49 HydrophobicContact CG-CG 4.41Å; W31-L49 HydrophobicContact CZ2-CB 4.39Å; W31-L49 PolarHBondContact NE1-O 2.94Å; W31-V51 HydrophobicContact CH2-CG2 3.52Å; W31-V51 HydrophobicContact CZ2-CG2 3.42Å; W31-V51 VanDerWaalsContact CZ2-CG2 3.42Å; W31-I60 HydrophobicContact CH2-CD1 4.05Å; W31-I60 HydrophobicContact CZ3-CD1 4.41Å
32	H	86.9	Confident	83.1	Confident	123 Å²	123	55.9 Å²	55.9	57%	0.569	29%	0.285	S	S	*	.			trans	48.7	35.7	174.5	-65.5	-67.7	0	0	0	115.4	E9 E30	E9-H32 IonicContact OE2-CE1 3.4Å; E9-H32 IonicContact OE2-CG 3.86Å; E9-H32 IonicContact OE2-ND1 2.63Å; E9-H32 PolarHBondContact OE2-ND1 2.74Å; E30-H32 PolarHBondContact O-CD2 3.3Å; E30-H32 VanDerWaalsContact O-CD2 3.22Å
33	L	89.7	Confident	83.9	Confident	21 Å²	21	54.7 Å²	54.7	11%	0.11	28%	0.278	C	S	.	.			trans	-81.8	127.3	-177.7	-64	177.4	0	0	0	111.8	E9 V12 L16 W31 D37 L41 L49	E9-L33 WeakPolarHBondContact CA-O 3.41Å; V12-L33 WeakPolarHBondContact CB-O 3.42Å; V12-L33 HydrophobicContact CG1-CB 3.91Å; V12-L33 WeakPolarHBondContact CG2-O 3.22Å; L16-L33 HydrophobicContact CD1-CD1 4.43Å; W31-L33 HydrophobicContact CB-CD1 4.35Å; W31-L33 HydrophobicContact CB-CG 4.09Å; W31-L33 HydrophobicContact CE3-CD1 4.04Å; W31-L33 PolarHBondContact O-N 3.17Å; L33-D37 HydrophobicContact CD2-CB 4.05Å; L33-L41 HydrophobicContact CD1-CD1 4.26Å; L33-L49 HydrophobicContact CD1-CD1 4.1Å; L33-L49 HydrophobicContact CD2-CD1 4.27Å
34	S	90.5	Very high	84.5	Confident	35 Å²	35	59.9 Å²	59.9	25%	0.245	30%	0.302	C	S	.	.			trans	-79.3	167.4	167.8	80.9	0	0	0	0	111.8	L36 D37 L38	S34-L36 PolarHBondContact O-N 2.84Å; S34-L36 PolarHBondContact OG-N 3.36Å; S34-D37 WeakPolarHBondContact CB-OD2 3.47Å; S34-D37 PolarHBondContact N-OD2 3.32Å; S34-D37 PolarHBondContact O-N 2.85Å; S34-D37 VanDerWaalsContact O-N 3.1Å; S34-D37 PolarHBondContact OG-N 2.82Å; S34-D37 PolarHBondContact OG-OD2 2.82Å; S34-L38 PolarHBondContact O-N 2.82Å
35	G	86.8	Confident	85	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-25.4	173.3	0	0	0	0	0	115.1	I4 W7 L39	I4-G35 WeakPolarHBondContact O-CA 3.34Å; W7-G35 PolarHBondContact O-N 2.86Å; G35-L39 WeakPolarHBondContact O-CD1 3.24Å; G35-L39 WeakPolarHBondContact O-CG 3.39Å
36	L	85.4	Confident	85.3	Confident	91 Å²	91	53.7 Å²	53.7	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-78.1	-35.9	174.3	-80.6	171.1	0	0	0	112.6	A5 S34 Q40	A5-L36 HydrophobicContact CB-CD2 3.74Å; A5-L36 HydrophobicContact CB-CG 4.23Å; S34-L36 PolarHBondContact O-N 2.84Å; S34-L36 PolarHBondContact OG-N 3.36Å; L36-Q40 WeakPolarHBondContact O-CG 3.47Å; L36-Q40 PolarHBondContact O-N 3.48Å; L36-Q40 PolarHBondContact O-NE2 2.78Å
37	D	87.1	Confident	85.3	Confident	73 Å²	73	56.5 Å²	56.5	39%	0.39	29%	0.287	S	S	.	.	H	α-helix	trans	-72	-42.2	179.1	-50.6	-55.1	0	0	0	109.7	L33 S34 L39 Q40 L41	L33-D37 HydrophobicContact CD2-CB 4.05Å; S34-D37 WeakPolarHBondContact CB-OD2 3.47Å; S34-D37 PolarHBondContact N-OD2 3.32Å; S34-D37 PolarHBondContact O-N 2.85Å; S34-D37 VanDerWaalsContact O-N 3.1Å; S34-D37 PolarHBondContact OG-N 2.82Å; S34-D37 PolarHBondContact OG-OD2 2.82Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.48Å; D37-Q40 CarbonylContact O-C 3.6Å; D37-Q40 PolarHBondContact O-N 3.38Å; D37-L41 PolarHBondContact O-N 3.31Å
38	L	88.6	Confident	85.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.2	-42.6	175.3	-174.5	67.4	0	0	0	112.7	W7 V12 W15 L16 S34 Q40 L41 V64 L67	W7-L38 HydrophobicContact CE3-CD2 4.32Å; W7-L38 HydrophobicContact CZ3-CD2 4.25Å; V12-L38 HydrophobicContact CG1-CB 4.31Å; V12-L38 HydrophobicContact CG1-CD1 4.11Å; V12-L38 HydrophobicContact CG1-CD2 4.05Å; V12-L38 HydrophobicContact CG1-CG 4.38Å; V12-L38 HydrophobicContact CG2-CB 4.46Å; V12-L38 HydrophobicContact CG2-CD2 4.16Å; W15-L38 HydrophobicContact CE3-CD1 4.25Å; W15-L38 HydrophobicContact CE3-CD2 3.85Å; W15-L38 HydrophobicContact CZ3-CD1 3.92Å; W15-L38 HydrophobicContact CZ3-CD2 4.08Å; W15-L38 HydrophobicContact CZ3-CG 4.43Å; L16-L38 HydrophobicContact CD1-CD1 4.47Å; L16-L38 HydrophobicContact CD2-CD1 4.21Å; L16-L38 HydrophobicContact CG-CD1 4.47Å; S34-L38 PolarHBondContact O-N 2.82Å; L38-Q40 VanDerWaalsContact C-N 3.27Å; L38-Q40 PolarHBondContact O-N 3Å; L38-L41 WeakPolarHBondContact O-CB 3.4Å; L38-V64 HydrophobicContact CD1-CG2 3.92Å; L38-V64 HydrophobicContact CG-CG2 4.29Å; L38-V64 WeakPolarHBondContact O-CG1 3.43Å; L38-L67 HydrophobicContact CD2-CD1 3.68Å; L38-L67 HydrophobicContact CG-CD1 4.49Å
39	L	84.4	Confident	85.6	Confident	16 Å²	16	57.9 Å²	57.9	8%	0.084	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.7	179.7	-70.3	171.7	0	0	0	113.8	I4 A5 G35 D37 L67 C68 T71	I4-L39 HydrophobicContact CB-CD1 4.25Å; I4-L39 HydrophobicContact CG2-CD1 3.93Å; I4-L39 HydrophobicContact CG2-CD2 3.85Å; I4-L39 HydrophobicContact CG2-CG 3.89Å; A5-L39 HydrophobicContact CB-CD1 4.09Å; G35-L39 WeakPolarHBondContact O-CD1 3.24Å; G35-L39 WeakPolarHBondContact O-CG 3.39Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.48Å; L39-L67 HydrophobicContact CD2-CB 4.35Å; L39-C68 VanDerWaalsContact CD2-SG 3.5Å; L39-T71 HydrophobicContact CD1-CG2 4.43Å
40	Q	83.4	Confident	85.6	Confident	124 Å²	124	56.3 Å²	56.3	58%	0.579	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-9.5	-179.6	-70.4	174.6	96.8	0	0	113.5	L36 D37 L38 T42	L36-Q40 WeakPolarHBondContact O-CG 3.47Å; L36-Q40 PolarHBondContact O-N 3.48Å; L36-Q40 PolarHBondContact O-NE2 2.78Å; D37-Q40 CarbonylContact O-C 3.6Å; D37-Q40 PolarHBondContact O-N 3.38Å; L38-Q40 VanDerWaalsContact C-N 3.27Å; L38-Q40 PolarHBondContact O-N 3Å; Q40-T42 PolarHBondContact O-N 3.01Å
41	L	85.9	Confident	85.7	Confident	15 Å²	15	50.5 Å²	50.5	8%	0.079	27%	0.271	C	S	.	.			trans	-46.4	128	-174.3	-168.7	70.9	0	0	0	113.4	L33 D37 L38 D45 L46 L49 I60 L61 V64	L33-L41 HydrophobicContact CD1-CD1 4.26Å; D37-L41 PolarHBondContact O-N 3.31Å; L38-L41 WeakPolarHBondContact O-CB 3.4Å; L41-D45 HydrophobicContact CD1-CB 3.93Å; L41-L46 HydrophobicContact CD1-CG 4.33Å; L41-L46 HydrophobicContact CD2-CD1 4.16Å; L41-L46 HydrophobicContact CD2-CD2 4.04Å; L41-L46 HydrophobicContact CD2-CG 4.04Å; L41-L46 HydrophobicContact CG-CD1 4.38Å; L41-L46 HydrophobicContact CG-CG 4.11Å; L41-L49 HydrophobicContact CD1-CD1 4.35Å; L41-I60 HydrophobicContact CD2-CG2 3.92Å; L41-L61 HydrophobicContact CG-CD2 4.47Å; L41-L61 VanDerWaalsContact O-CD2 3.28Å; L41-L61 WeakPolarHBondContact O-CD2 3.44Å; L41-V64 HydrophobicContact CD2-CG2 4.4Å
42	T	82.7	Confident	85.2	Confident	36 Å²	36	56.1 Å²	56.1	22%	0.221	30%	0.298	C	S	.	.			trans	-111.5	169.6	176.5	78.4	0	0	0	0	112.2	Q40 Q44 D45 L46 Q663	Q40-T42 PolarHBondContact O-N 3.01Å; T42-Q44 PolarHBondContact O-N 3.38Å; T42-Q44 PolarHBondContact OG1-N 2.84Å; T42-D45 WeakPolarHBondContact CA-OD2 3.38Å; T42-D45 VanDerWaalsContact CB-OD2 3.23Å; T42-D45 WeakPolarHBondContact CB-OD2 3.45Å; T42-D45 WeakPolarHBondContact CG2-OD2 3.31Å; T42-D45 PolarHBondContact N-OD2 3.47Å; T42-D45 PolarHBondContact O-N 3.04Å; T42-D45 PolarHBondContact OG1-N 3.44Å; T42-D45 PolarHBondContact OG1-OD2 3.21Å; T42-L46 PolarHBondContact O-N 2.91Å; T42-L46 VanDerWaalsContact O-N 3.15Å; T42-Q663 HydrophobicContact CG2-CG 4.33Å
43	S	80.1	Confident	84.8	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-29.9	171.7	55	0	0	0	0	112.7	E47	S43-E47 WeakPolarHBondContact O-CG 3.22Å; S43-E47 PolarHBondContact O-N 3.24Å
44	Q	81.2	Confident	84.2	Confident	114 Å²	114	54.7 Å²	54.7	53%	0.533	29%	0.291	S	S	.	.	H	α-helix	trans	-73.5	-37.6	179.5	-174.4	171.9	-1.8	0	0	111.7	T42 L46 E47 V48	T42-Q44 PolarHBondContact O-N 3.38Å; T42-Q44 PolarHBondContact OG1-N 2.84Å; Q44-L46 VanDerWaalsContact C-N 3.34Å; Q44-E47 PolarHBondContact O-N 3.17Å; Q44-V48 WeakPolarHBondContact O-CG2 3.29Å; Q44-V48 PolarHBondContact O-N 2.97Å; Q44-V48 VanDerWaalsContact O-N 3.16Å
45	D	85.8	Confident	83.5	Confident	71 Å²	71	53 Å²	53	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-66.8	-40.8	175.2	-48	-57.8	0	0	0	110.2	L41 T42 E47 V48 L49	L41-D45 HydrophobicContact CD1-CB 3.93Å; T42-D45 WeakPolarHBondContact CA-OD2 3.38Å; T42-D45 VanDerWaalsContact CB-OD2 3.23Å; T42-D45 WeakPolarHBondContact CB-OD2 3.45Å; T42-D45 WeakPolarHBondContact CG2-OD2 3.31Å; T42-D45 PolarHBondContact N-OD2 3.47Å; T42-D45 PolarHBondContact O-N 3.04Å; T42-D45 PolarHBondContact OG1-N 3.44Å; T42-D45 PolarHBondContact OG1-OD2 3.21Å; D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 3Å; D45-V48 WeakPolarHBondContact O-CB 3.35Å; D45-V48 PolarHBondContact O-N 3.08Å; D45-V48 VanDerWaalsContact O-N 3.12Å; D45-L49 WeakPolarHBondContact O-CG 3.2Å; D45-L49 PolarHBondContact O-N 2.89Å
46	L	86.9	Confident	83.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-36.1	173.1	-79.1	168.4	0	0	0	113.2	W31 L41 T42 Q44 L49 G50 V51 Q57 I60 L61	W31-L46 HydrophobicContact CH2-CD2 4.26Å; W31-L46 HydrophobicContact CZ3-CD2 4.29Å; L41-L46 HydrophobicContact CD1-CG 4.33Å; L41-L46 HydrophobicContact CD2-CD1 4.16Å; L41-L46 HydrophobicContact CD2-CD2 4.04Å; L41-L46 HydrophobicContact CD2-CG 4.04Å; L41-L46 HydrophobicContact CG-CD1 4.38Å; L41-L46 HydrophobicContact CG-CG 4.11Å; T42-L46 PolarHBondContact O-N 2.91Å; T42-L46 VanDerWaalsContact O-N 3.15Å; Q44-L46 VanDerWaalsContact C-N 3.34Å; L46-L49 CarbonylContact O-C 3.59Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-G50 PolarHBondContact O-N 3.3Å; L46-V51 HydrophobicContact CB-CB 4.17Å; L46-V51 HydrophobicContact CD2-CB 4.21Å; L46-V51 HydrophobicContact CD2-CG2 3.94Å; L46-V51 WeakPolarHBondContact O-CA 3.32Å; L46-V51 VanDerWaalsContact O-CB 3.32Å; L46-V51 WeakPolarHBondContact O-CB 3.23Å; L46-V51 PolarHBondContact O-N 3.41Å; L46-Q57 HydrophobicContact CB-CG 4.27Å; L46-Q57 HydrophobicContact CD1-CB 4.26Å; L46-Q57 HydrophobicContact CD1-CG 4.5Å; L46-I60 HydrophobicContact CD1-CB 4.36Å; L46-I60 HydrophobicContact CD1-CG2 4.3Å; L46-I60 HydrophobicContact CD2-CD1 3.84Å; L46-I60 HydrophobicContact CD2-CG2 4.26Å; L46-L61 HydrophobicContact CD1-CD1 4.12Å; L46-L61 HydrophobicContact CD1-CD2 3.84Å; L46-L61 HydrophobicContact CD1-CG 3.72Å
47	E	83.2	Confident	83.1	Confident	103 Å²	103	49.4 Å²	49.4	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-38	172.2	-75.2	174.8	-170	0	0	112.6	S43 Q44 D45 L49 G50 Q57	S43-E47 WeakPolarHBondContact O-CG 3.22Å; S43-E47 PolarHBondContact O-N 3.24Å; Q44-E47 PolarHBondContact O-N 3.17Å; D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 3Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-G50 PolarHBondContact O-N 3.37Å; E47-Q57 VanDerWaalsContact CG-NE2 3.26Å; E47-Q57 PolarHBondContact OE1-NE2 3.16Å
48	V	87.3	Confident	82.7	Confident	125 Å²	125	46.6 Å²	46.6	76%	0.758	25%	0.245	S	C	*	.	H	α-helix	trans	-67.3	-34.8	174.5	174.4	0	0	0	0	111.5	Q44 D45 G50	Q44-V48 WeakPolarHBondContact O-CG2 3.29Å; Q44-V48 PolarHBondContact O-N 2.97Å; Q44-V48 VanDerWaalsContact O-N 3.16Å; D45-V48 WeakPolarHBondContact O-CB 3.35Å; D45-V48 PolarHBondContact O-N 3.08Å; D45-V48 VanDerWaalsContact O-N 3.12Å; V48-G50 PolarHBondContact O-N 3.12Å
49	L	86.4	Confident	82.4	Confident	42 Å²	42	49.4 Å²	49.4	22%	0.22	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	9.6	173.7	-63.5	170	0	0	0	113.8	W31 L33 L41 D45 L46 E47	W31-L49 HydrophobicContact CB-CD1 4.48Å; W31-L49 HydrophobicContact CB-CD2 3.97Å; W31-L49 HydrophobicContact CD2-CB 4.23Å; W31-L49 HydrophobicContact CD2-CD1 4.09Å; W31-L49 HydrophobicContact CD2-CD2 4.45Å; W31-L49 HydrophobicContact CD2-CG 4.49Å; W31-L49 HydrophobicContact CE3-CD1 4.15Å; W31-L49 HydrophobicContact CG-CB 4.4Å; W31-L49 HydrophobicContact CG-CD1 4.27Å; W31-L49 HydrophobicContact CG-CD2 3.87Å; W31-L49 HydrophobicContact CG-CG 4.41Å; W31-L49 HydrophobicContact CZ2-CB 4.39Å; W31-L49 PolarHBondContact NE1-O 2.94Å; L33-L49 HydrophobicContact CD1-CD1 4.1Å; L33-L49 HydrophobicContact CD2-CD1 4.27Å; L41-L49 HydrophobicContact CD1-CD1 4.35Å; D45-L49 WeakPolarHBondContact O-CG 3.2Å; D45-L49 PolarHBondContact O-N 2.89Å; L46-L49 CarbonylContact O-C 3.59Å; L46-L49 PolarHBondContact O-N 3.08Å; E47-L49 VanDerWaalsContact C-N 3.34Å
50	G	83.1	Confident	82.5	Confident	40 Å²	40	48.7 Å²	48.7	41%	0.412	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-2.6	175.4	0	0	0	0	0	115.8	L46 E47 V48 Q52	L46-G50 PolarHBondContact O-N 3.3Å; E47-G50 PolarHBondContact O-N 3.37Å; V48-G50 PolarHBondContact O-N 3.12Å; G50-Q52 VanDerWaalsContact C-N 3.25Å; G50-Q52 PolarHBondContact O-N 3.22Å
51	V	85.8	Confident	82.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.			trans	-81.1	68.4	179.9	-168.3	0	0	0	0	110.7	Y26 W31 L46 K53 H56 Q57 I60	Y26-V51 HydrophobicContact CD1-CG2 4.15Å; Y26-V51 HydrophobicContact CD2-CG2 4.15Å; Y26-V51 HydrophobicContact CE1-CB 4.4Å; Y26-V51 HydrophobicContact CE1-CG2 4.04Å; Y26-V51 HydrophobicContact CE2-CB 4.46Å; Y26-V51 HydrophobicContact CE2-CG1 3.93Å; Y26-V51 HydrophobicContact CE2-CG2 4.03Å; Y26-V51 HydrophobicContact CG-CG2 4.22Å; W31-V51 HydrophobicContact CH2-CG2 3.52Å; W31-V51 HydrophobicContact CZ2-CG2 3.42Å; W31-V51 VanDerWaalsContact CZ2-CG2 3.42Å; L46-V51 HydrophobicContact CB-CB 4.17Å; L46-V51 HydrophobicContact CD2-CB 4.21Å; L46-V51 HydrophobicContact CD2-CG2 3.94Å; L46-V51 WeakPolarHBondContact O-CA 3.32Å; L46-V51 VanDerWaalsContact O-CB 3.32Å; L46-V51 WeakPolarHBondContact O-CB 3.23Å; L46-V51 PolarHBondContact O-N 3.41Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 2.86Å; V51-H56 HydrophobicContact CG1-CB 3.76Å; V51-Q57 HydrophobicContact CG1-CG 3.97Å; V51-Q57 VanDerWaalsContact O-CG 3.26Å; V51-Q57 WeakPolarHBondContact O-CG 3.22Å; V51-Q57 PolarHBondContact O-NE2 2.91Å; V51-I60 HydrophobicContact CG1-CD1 4.3Å; V51-I60 HydrophobicContact CG2-CD1 4.47Å
52	Q	77.8	Confident	82.5	Confident	143 Å²	143	47.3 Å²	47.3	67%	0.668	25%	0.25	S	C	*	.			trans	-76.6	-15.2	179.5	-60.5	-177.4	16.6	0	0	113.8	G50 I54	G50-Q52 VanDerWaalsContact C-N 3.25Å; G50-Q52 PolarHBondContact O-N 3.22Å; Q52-I54 PolarHBondContact O-N 2.9Å
53	K	79.3	Confident	82.6	Confident	54 Å²	54	45.9 Å²	45.9	24%	0.235	24%	0.241	C	C	.	.			trans	-76.9	105.1	177.3	-71.5	176	-178.1	172.5	0	109.3	V51 G55 H56 Q57	V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 2.86Å; K53-G55 PolarHBondContact O-N 2.89Å; K53-H56 HydrophobicContact CB-CB 4.14Å; K53-H56 VanDerWaalsContact CD-CE1 3.44Å; K53-H56 WeakPolarHBondContact CD-CE1 3.32Å; K53-H56 WeakPolarHBondContact O-CA 3.28Å; K53-H56 WeakPolarHBondContact O-CB 3.42Å; K53-H56 PolarHBondContact O-N 2.95Å; K53-Q57 PolarHBondContact O-N 3.37Å; K53-Q57 VanDerWaalsContact O-N 3.13Å
54	I	77.2	Confident	82.9	Confident	59 Å²	59	46 Å²	46	30%	0.303	24%	0.242	S	C	.	.	H	α-helix	trans	-49.9	-36.2	-178.1	-53.6	172.8	0	0	0	112.8	Q52 Q57 E58 F670 R687	Q52-I54 PolarHBondContact O-N 2.9Å; I54-Q57 WeakPolarHBondContact O-CB 3.42Å; I54-Q57 PolarHBondContact O-N 2.85Å; I54-E58 PolarHBondContact O-N 3.13Å; I54-F670 HydrophobicContact CG2-CE1 4.06Å; I54-R687 VanDerWaalsContact CG2-NH1 3.26Å
55	G	74.3	Confident	82.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-39.4	176.4	0	0	0	0	0	113.6	K53 Q57 E58 L59	K53-G55 PolarHBondContact O-N 2.89Å; G55-Q57 VanDerWaalsContact C-N 3.3Å; G55-Q57 PolarHBondContact O-N 2.75Å; G55-E58 PolarHBondContact O-N 2.79Å; G55-L59 WeakPolarHBondContact O-CG 3.49Å; G55-L59 PolarHBondContact O-N 3.01Å; G55-L59 VanDerWaalsContact O-N 3.09Å
56	H	82.7	Confident	82.7	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.065	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-34.6	177	-61.9	-158.9	0	0	0	110.2	P22 Y26 V51 K53 I60	P22-H56 PolarHBondContact O-CE1 3.44Å; P22-H56 PolarHBondContact O-ND1 2.94Å; Y26-H56 HydrophobicContact CE2-CB 4.07Å; Y26-H56 AromaticContact CE2-ND1 3.38Å; Y26-H56 WeakPolarHBondContact CE2-ND1 3.44Å; Y26-H56 AromaticContact CZ-ND1 3.64Å; Y26-H56 PolarHBondContact OH-ND1 3.34Å; Y26-H56 VanDerWaalsContact OH-ND1 3.12Å; V51-H56 HydrophobicContact CG1-CB 3.76Å; K53-H56 HydrophobicContact CB-CB 4.14Å; K53-H56 VanDerWaalsContact CD-CE1 3.44Å; K53-H56 WeakPolarHBondContact CD-CE1 3.32Å; K53-H56 WeakPolarHBondContact O-CA 3.28Å; K53-H56 WeakPolarHBondContact O-CB 3.42Å; K53-H56 PolarHBondContact O-N 2.95Å; H56-I60 WeakPolarHBondContact O-CG1 3.41Å; H56-I60 PolarHBondContact O-N 2.9Å
57	Q	81.3	Confident	82.5	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-46.6	169.5	-56.6	173.9	-3.3	0	0	111.9	L46 E47 V51 K53 I54 G55 L59 I60 L61	L46-Q57 HydrophobicContact CB-CG 4.27Å; L46-Q57 HydrophobicContact CD1-CB 4.26Å; L46-Q57 HydrophobicContact CD1-CG 4.5Å; E47-Q57 VanDerWaalsContact CG-NE2 3.26Å; E47-Q57 PolarHBondContact OE1-NE2 3.16Å; V51-Q57 HydrophobicContact CG1-CG 3.97Å; V51-Q57 VanDerWaalsContact O-CG 3.26Å; V51-Q57 WeakPolarHBondContact O-CG 3.22Å; V51-Q57 PolarHBondContact O-NE2 2.91Å; K53-Q57 PolarHBondContact O-N 3.37Å; K53-Q57 VanDerWaalsContact O-N 3.13Å; I54-Q57 WeakPolarHBondContact O-CB 3.42Å; I54-Q57 PolarHBondContact O-N 2.85Å; G55-Q57 VanDerWaalsContact C-N 3.3Å; G55-Q57 PolarHBondContact O-N 2.75Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.22Å; Q57-I60 PolarHBondContact O-N 3.26Å; Q57-L61 WeakPolarHBondContact O-CB 3.45Å; Q57-L61 VanDerWaalsContact O-CG 3.25Å; Q57-L61 WeakPolarHBondContact O-CG 3.48Å; Q57-L61 PolarHBondContact O-N 3.37Å
58	E	79.3	Confident	82.3	Confident	14 Å²	14	39 Å²	39	7%	0.065	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-38.2	-179.9	-78.4	-166.1	-117	0	0	112.3	I54 G55 E62 R673 R687	I54-E58 PolarHBondContact O-N 3.13Å; G55-E58 PolarHBondContact O-N 2.79Å; E58-E62 WeakPolarHBondContact O-CB 3.32Å; E58-E62 PolarHBondContact O-N 2.76Å; E58-R673 IonicContact OE2-CZ 3.79Å; E58-R673 VanDerWaalsContact OE2-CZ 3.31Å; E58-R673 IonicContact OE2-NE 3.11Å; E58-R673 PolarHBondContact OE2-NE 3.07Å; E58-R673 IonicContact OE2-NH2 2.84Å; E58-R673 PolarHBondContact OE2-NH2 3Å; E58-R687 IonicContact OE1-CZ 3.04Å; E58-R687 VanDerWaalsContact OE1-CZ 3.23Å; E58-R687 IonicContact OE1-NH1 3.4Å; E58-R687 PolarHBondContact OE1-NH1 2.8Å; E58-R687 IonicContact OE1-NH2 2.67Å; E58-R687 PolarHBondContact OE1-NH2 2.78Å
59	L	83.1	Confident	81.8	Confident	58 Å²	58	36.5 Å²	36.5	30%	0.304	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-50.3	175.9	-69.8	171.9	0	0	0	112.4	G55 Q57 L61 E62 A63	G55-L59 WeakPolarHBondContact O-CG 3.49Å; G55-L59 PolarHBondContact O-N 3.01Å; G55-L59 VanDerWaalsContact O-N 3.09Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.22Å; L59-L61 PolarHBondContact O-N 2.84Å; L59-E62 PolarHBondContact O-N 2.71Å; L59-A63 PolarHBondContact O-N 3.04Å; L59-A63 VanDerWaalsContact O-N 3.07Å
60	I	86.6	Confident	81.4	Confident	2 Å²	2	35 Å²	35	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-44.9	179.6	-63	165.6	0	0	0	110.3	L16 L19 T23 W31 L41 L46 V51 H56 Q57 E62 A63 V64	L16-I60 HydrophobicContact CD2-CG2 4.17Å; L19-I60 HydrophobicContact CD1-CG1 4.23Å; T23-I60 HydrophobicContact CG2-CD1 4.01Å; T23-I60 HydrophobicContact CG2-CG1 3.8Å; W31-I60 HydrophobicContact CH2-CD1 4.05Å; W31-I60 HydrophobicContact CZ3-CD1 4.41Å; L41-I60 HydrophobicContact CD2-CG2 3.92Å; L46-I60 HydrophobicContact CD1-CB 4.36Å; L46-I60 HydrophobicContact CD1-CG2 4.3Å; L46-I60 HydrophobicContact CD2-CD1 3.84Å; L46-I60 HydrophobicContact CD2-CG2 4.26Å; V51-I60 HydrophobicContact CG1-CD1 4.3Å; V51-I60 HydrophobicContact CG2-CD1 4.47Å; H56-I60 WeakPolarHBondContact O-CG1 3.41Å; H56-I60 PolarHBondContact O-N 2.9Å; Q57-I60 PolarHBondContact O-N 3.26Å; I60-E62 PolarHBondContact O-N 2.9Å; I60-A63 PolarHBondContact O-N 3.18Å; I60-V64 HydrophobicContact CG2-CG2 4.46Å; I60-V64 WeakPolarHBondContact O-CG2 3.02Å; I60-V64 PolarHBondContact O-N 2.91Å
61	L	84.4	Confident	80.9	Confident	41 Å²	41	35.2 Å²	35.2	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-30.6	-178.4	-66.1	173.2	0	0	0	113	L41 L46 Q57 L59 E65	L41-L61 HydrophobicContact CG-CD2 4.47Å; L41-L61 VanDerWaalsContact O-CD2 3.28Å; L41-L61 WeakPolarHBondContact O-CD2 3.44Å; L46-L61 HydrophobicContact CD1-CD1 4.12Å; L46-L61 HydrophobicContact CD1-CD2 3.84Å; L46-L61 HydrophobicContact CD1-CG 3.72Å; Q57-L61 WeakPolarHBondContact O-CB 3.45Å; Q57-L61 VanDerWaalsContact O-CG 3.25Å; Q57-L61 WeakPolarHBondContact O-CG 3.48Å; Q57-L61 PolarHBondContact O-N 3.37Å; L59-L61 PolarHBondContact O-N 2.84Å; L61-E65 WeakPolarHBondContact O-CB 3.49Å; L61-E65 PolarHBondContact O-N 3.16Å
62	E	83.3	Confident	80.1	Confident	69 Å²	69	43 Å²	43	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-69	-40	170.7	-179.8	163.8	158.3	0	0	111.6	E58 L59 I60 E65 K66 S229	E58-E62 WeakPolarHBondContact O-CB 3.32Å; E58-E62 PolarHBondContact O-N 2.76Å; L59-E62 PolarHBondContact O-N 2.71Å; I60-E62 PolarHBondContact O-N 2.9Å; E62-E65 PolarHBondContact O-N 3.12Å; E62-K66 HydrophobicContact CG-CD 4.37Å; E62-K66 WeakPolarHBondContact O-CD 3.25Å; E62-K66 WeakPolarHBondContact O-CG 3.45Å; E62-K66 PolarHBondContact O-N 2.93Å; E62-K66 VanDerWaalsContact O-N 3.07Å; E62-S229 WeakPolarHBondContact OE1-CB 3.24Å
63	A	86.3	Confident	79.3	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-40.4	173.8	0	0	0	0	0	112.2	W15 L19 L59 I60 K66 L67	W15-A63 HydrophobicContact CH2-CB 3.52Å; W15-A63 HydrophobicContact CZ2-CB 3.76Å; L19-A63 HydrophobicContact CD1-CB 3.92Å; L19-A63 HydrophobicContact CD2-CB 3.51Å; L19-A63 HydrophobicContact CG-CB 4.36Å; L59-A63 PolarHBondContact O-N 3.04Å; L59-A63 VanDerWaalsContact O-N 3.07Å; I60-A63 PolarHBondContact O-N 3.18Å; A63-K66 WeakPolarHBondContact O-CB 3.41Å; A63-K66 PolarHBondContact O-N 3.35Å; A63-L67 PolarHBondContact O-N 3.15Å
64	V	86.5	Confident	78.2	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.055	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-41.9	172.6	168.7	0	0	0	0	111.5	W15 L38 L41 I60 K66 L67 C68	W15-V64 HydrophobicContact CH2-CG2 4.17Å; W15-V64 HydrophobicContact CZ3-CG2 4.23Å; L38-V64 HydrophobicContact CD1-CG2 3.92Å; L38-V64 HydrophobicContact CG-CG2 4.29Å; L38-V64 WeakPolarHBondContact O-CG1 3.43Å; L41-V64 HydrophobicContact CD2-CG2 4.4Å; I60-V64 HydrophobicContact CG2-CG2 4.46Å; I60-V64 WeakPolarHBondContact O-CG2 3.02Å; I60-V64 PolarHBondContact O-N 2.91Å; V64-K66 PolarHBondContact O-N 2.67Å; V64-L67 PolarHBondContact O-N 3.06Å; V64-L67 VanDerWaalsContact O-N 3.09Å; V64-C68 PolarHBondContact O-N 3.26Å; V64-C68 PolarHBondContact O-SG 3.4Å
65	E	80.9	Confident	77.1	Confident	85 Å²	85	37.7 Å²	37.7	40%	0.397	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-30.1	175.7	-171.6	163.6	-122.1	0	0	111.9	L61 E62 S69 R667	L61-E65 WeakPolarHBondContact O-CB 3.49Å; L61-E65 PolarHBondContact O-N 3.16Å; E62-E65 PolarHBondContact O-N 3.12Å; E65-S69 WeakPolarHBondContact O-CB 3.47Å; E65-S69 PolarHBondContact O-N 2.91Å; E65-S69 PolarHBondContact O-OG 3.21Å; E65-R667 IonicContact OE1-CZ 2.67Å; E65-R667 IonicContact OE1-NE 2.82Å; E65-R667 IonicContact OE1-NH2 3.73Å; E65-R667 PolarHBondContact OE1-NH2 2.89Å
66	K	81.7	Confident	76.4	Confident	30 Å²	30	40.7 Å²	40.7	13%	0.13	25%	0.245	C	C	.	.	H	α-helix	trans	-72.4	-41.3	171.3	-66.5	155.7	177.9	-75	0	112.8	E62 A63 V64 S69 L70 S229 N231 V264	E62-K66 HydrophobicContact CG-CD 4.37Å; E62-K66 WeakPolarHBondContact O-CD 3.25Å; E62-K66 WeakPolarHBondContact O-CG 3.45Å; E62-K66 PolarHBondContact O-N 2.93Å; E62-K66 VanDerWaalsContact O-N 3.07Å; A63-K66 WeakPolarHBondContact O-CB 3.41Å; A63-K66 PolarHBondContact O-N 3.35Å; V64-K66 PolarHBondContact O-N 2.67Å; K66-S69 CarbonylContact O-C 3.52Å; K66-S69 WeakPolarHBondContact O-CB 3.32Å; K66-S69 PolarHBondContact O-N 2.81Å; K66-L70 PolarHBondContact O-N 3.32Å; K66-S229 WeakPolarHBondContact CE-O 3.43Å; K66-S229 PolarHBondContact NZ-O 3.44Å; K66-S229 PolarHBondContact NZ-OG 3.16Å; K66-S229 VanDerWaalsContact NZ-OG 3.09Å; K66-N231 PolarHBondContact NZ-OD1 3.29Å; K66-V264 HydrophobicContact CB-CG1 3.68Å
67	L	82.8	Confident	75.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-39.9	171.4	-73.3	-171.5	0	0	0	112.5	I4 W7 W15 L38 L39 A63 V64 L70 T71 I262 V264	I4-L67 HydrophobicContact CD1-CB 4.21Å; I4-L67 HydrophobicContact CD1-CD2 3.91Å; I4-L67 HydrophobicContact CG2-CD1 4.38Å; W7-L67 HydrophobicContact CH2-CD1 4.47Å; W7-L67 HydrophobicContact CH2-CD2 4.42Å; W7-L67 HydrophobicContact CZ3-CD1 4.16Å; W15-L67 HydrophobicContact CD2-CD1 3.77Å; W15-L67 HydrophobicContact CE3-CD1 3.93Å; W15-L67 HydrophobicContact CH2-CD1 3.62Å; W15-L67 HydrophobicContact CH2-CG 3.99Å; W15-L67 HydrophobicContact CZ2-CD1 3.43Å; W15-L67 VanDerWaalsContact CZ2-CD1 3.43Å; W15-L67 HydrophobicContact CZ2-CD2 4.06Å; W15-L67 HydrophobicContact CZ2-CG 3.49Å; W15-L67 VanDerWaalsContact CZ2-CG 3.49Å; W15-L67 HydrophobicContact CZ3-CD1 3.88Å; L38-L67 HydrophobicContact CD2-CD1 3.68Å; L38-L67 HydrophobicContact CG-CD1 4.49Å; L39-L67 HydrophobicContact CD2-CB 4.35Å; A63-L67 PolarHBondContact O-N 3.15Å; V64-L67 PolarHBondContact O-N 3.06Å; V64-L67 VanDerWaalsContact O-N 3.09Å; L67-L70 PolarHBondContact O-N 3.33Å; L67-T71 WeakPolarHBondContact O-CB 3.23Å; L67-T71 PolarHBondContact O-N 2.85Å; L67-T71 PolarHBondContact O-OG1 3.18Å; L67-I262 HydrophobicContact CD2-CG2 3.93Å; L67-V264 HydrophobicContact CD2-CB 4.23Å; L67-V264 HydrophobicContact CD2-CG1 4.4Å
68	C	79	Confident	75.5	Confident	27 Å²	27	46.3 Å²	46.3	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-42.8	172	-71.2	0	0	0	0	111	L39 V64 L70 T71 Y72	L39-C68 VanDerWaalsContact CD2-SG 3.5Å; V64-C68 PolarHBondContact O-N 3.26Å; V64-C68 PolarHBondContact O-SG 3.4Å; C68-L70 VanDerWaalsContact C-N 3.27Å; C68-L70 PolarHBondContact O-N 2.84Å; C68-T71 PolarHBondContact O-N 3.12Å; C68-Y72 HydrophobicContact CB-CD2 4.18Å; C68-Y72 HydrophobicContact CB-CE2 4.29Å; C68-Y72 WeakPolarHBondContact O-CD2 3.36Å; C68-Y72 PolarHBondContact O-N 3.03Å
69	S	76.4	Confident	75.6	Confident	72 Å²	72	45.9 Å²	45.9	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-30.6	175.7	-60.7	0	0	0	0	112.9	E65 K66 G73	E65-S69 WeakPolarHBondContact O-CB 3.47Å; E65-S69 PolarHBondContact O-N 2.91Å; E65-S69 PolarHBondContact O-OG 3.21Å; K66-S69 CarbonylContact O-C 3.52Å; K66-S69 WeakPolarHBondContact O-CB 3.32Å; K66-S69 PolarHBondContact O-N 2.81Å; S69-G73 WeakPolarHBondContact O-CA 3.24Å; S69-G73 PolarHBondContact O-N 3.35Å
70	L	77.2	Confident	75.7	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-51.9	169.3	-174.4	71.3	0	0	0	111.1	M1 I4 K66 L67 C68 Y72 M74 I256 I262 V264	M1-L70 HydrophobicContact SD-CD2 4.26Å; I4-L70 HydrophobicContact CD1-CD2 4.08Å; K66-L70 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 3.33Å; C68-L70 VanDerWaalsContact C-N 3.27Å; C68-L70 PolarHBondContact O-N 2.84Å; L70-Y72 PolarHBondContact O-N 3.02Å; L70-M74 HydrophobicContact CD1-CG 3.72Å; L70-M74 HydrophobicContact CD1-SD 4.02Å; L70-M74 HydrophobicContact CG-CG 4.3Å; L70-M74 WeakPolarHBondContact O-CB 3.39Å; L70-M74 WeakPolarHBondContact O-CG 3.35Å; L70-M74 PolarHBondContact O-N 3.08Å; L70-I256 HydrophobicContact CD1-CD1 4.13Å; L70-I256 HydrophobicContact CD1-CG1 4.38Å; L70-I256 HydrophobicContact CD1-CG2 3.8Å; L70-I256 HydrophobicContact CD2-CG2 3.48Å; L70-I256 VanDerWaalsContact CD2-CG2 3.48Å; L70-I256 HydrophobicContact CG-CG2 4.31Å; L70-I262 HydrophobicContact CD2-CD1 3.91Å; L70-V264 HydrophobicContact CD2-CG2 4.3Å
71	T	73.4	Confident	75.6	Confident	46 Å²	46	48.2 Å²	48.2	28%	0.282	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-45.9	-175.8	-55.2	0	0	0	0	112.3	I4 L39 L67 C68	I4-T71 VanDerWaalsContact CD1-OG1 3.24Å; I4-T71 WeakPolarHBondContact CD1-OG1 3.47Å; L39-T71 HydrophobicContact CD1-CG2 4.43Å; L67-T71 WeakPolarHBondContact O-CB 3.23Å; L67-T71 PolarHBondContact O-N 2.85Å; L67-T71 PolarHBondContact O-OG1 3.18Å; C68-T71 PolarHBondContact O-N 3.12Å
72	Y	68.5	Low	75.6	Confident	164 Å²	164	46.5 Å²	46.5	64%	0.643	28%	0.278	S	S	*	.	H	α-helix	trans	-102.7	-17.8	-173.1	-54	-64.4	0	0	0	113.7	C68 L70	C68-Y72 HydrophobicContact CB-CD2 4.18Å; C68-Y72 HydrophobicContact CB-CE2 4.29Å; C68-Y72 WeakPolarHBondContact O-CD2 3.36Å; C68-Y72 PolarHBondContact O-N 3.03Å; L70-Y72 PolarHBondContact O-N 3.02Å
73	G	61.1	Low	75.8	Confident	41 Å²	41	43.2 Å²	43.2	42%	0.423	26%	0.262	S	S	.	.	H	α-helix	trans	-93.2	-5.9	-178.5	0	0	0	0	0	115.5	S69 G75	S69-G73 WeakPolarHBondContact O-CA 3.24Å; S69-G73 PolarHBondContact O-N 3.35Å; G73-G75 PolarHBondContact O-N 3.22Å
74	M	56.9	Low	76	Confident	47 Å²	47	46.7 Å²	46.7	23%	0.232	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	15.3	-174.2	-87.4	-58.7	-46.2	0	0	116.5	L70 L206 K287	L70-M74 HydrophobicContact CD1-CG 3.72Å; L70-M74 HydrophobicContact CD1-SD 4.02Å; L70-M74 HydrophobicContact CG-CG 4.3Å; L70-M74 WeakPolarHBondContact O-CB 3.39Å; L70-M74 WeakPolarHBondContact O-CG 3.35Å; L70-M74 PolarHBondContact O-N 3.08Å; M74-L206 HydrophobicContact CE-CD1 4.47Å; M74-L206 HydrophobicContact CE-CD2 3.84Å; M74-L206 HydrophobicContact CE-CG 3.72Å; M74-L206 HydrophobicContact SD-CD2 4.09Å; M74-L206 HydrophobicContact SD-CG 4.49Å; M74-K287 HydrophobicContact CE-CG 4.46Å; M74-K287 HydrophobicContact SD-CD 3.44Å; M74-K287 WeakPolarHBondContact SD-CD 3.24Å; M74-K287 WeakPolarHBondContact SD-CE 3.24Å; M74-K287 HydrophobicContact SD-CG 3.89Å
75	G	53.3	Low	76.2	Confident	55 Å²	55	50.8 Å²	50.8	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.2	7.9	176.2	0	0	0	0	0	117	G73	G73-G75 PolarHBondContact O-N 3.22Å
76	G	60.3	Low	76.7	Confident	63 Å²	63	46.8 Å²	46.8	65%	0.649	28%	0.276	S	S	*	.	S	Bend	trans	-96.9	-40.3	-167.9	0	0	0	0	0	116.7
77	E	67.8	Low	77.3	Confident	102 Å²	102	50.2 Å²	50.2	48%	0.477	29%	0.288	S	S	.	.			trans	-112.3	104.1	-166.1	-66	-163	139.6	0	0	112.1	L82 K85	E77-L82 HydrophobicContact CB-CD1 3.91Å; E77-L82 HydrophobicContact CB-CG 4.03Å; E77-L82 HydrophobicContact CG-CG 4.38Å; E77-K85 IonicContact OE1-NZ 3.31Å; E77-K85 PolarHBondContact OE1-NZ 3.3Å
78	T	77.5	Confident	77.8	Confident	32 Å²	32	55 Å²	55	20%	0.196	32%	0.317	C	S	.	.			trans	-84.9	160.8	169.1	59	0	0	0	0	111.1	R80 G81 L82 T201 T203	T78-R80 VanDerWaalsContact C-N 3.26Å; T78-R80 PolarHBondContact O-N 3.46Å; T78-G81 PolarHBondContact O-N 2.96Å; T78-G81 VanDerWaalsContact O-N 3.16Å; T78-G81 PolarHBondContact OG1-N 2.56Å; T78-L82 PolarHBondContact O-N 3.49Å; T78-T201 VanDerWaalsContact CG2-O 3.31Å; T78-T201 WeakPolarHBondContact CG2-O 3.4Å; T78-T203 HydrophobicContact CG2-CG2 3.62Å
79	L	81.2	Confident	78.5	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-40.1	173.9	179.7	61.8	0	0	0	111.6	T83 L132 L135 L136 I191 L199 L200	L79-T83 VanDerWaalsContact O-CB 3.31Å; L79-T83 WeakPolarHBondContact O-CB 3.2Å; L79-T83 PolarHBondContact O-N 3.44Å; L79-T83 PolarHBondContact O-OG1 2.83Å; L79-L132 HydrophobicContact CD1-CD1 3.67Å; L79-L135 HydrophobicContact CB-CD2 3.95Å; L79-L135 HydrophobicContact CD1-CD2 3.83Å; L79-L136 HydrophobicContact CD1-CD2 3.98Å; L79-I191 HydrophobicContact CD1-CG2 4.3Å; L79-L199 WeakPolarHBondContact CB-O 3.16Å; L79-L200 HydrophobicContact CD2-CD2 4.14Å; L79-L200 HydrophobicContact CG-CD2 4.12Å
80	R	84.6	Confident	79.3	Confident	78 Å²	78	51 Å²	51	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-56.3	-55.5	170.9	-176.8	174.2	-70.9	-72	4.8	111.5	T78 L82 T83 E84 D197 L200	T78-R80 VanDerWaalsContact C-N 3.26Å; T78-R80 PolarHBondContact O-N 3.46Å; R80-L82 PolarHBondContact O-N 3.29Å; R80-T83 PolarHBondContact O-N 2.95Å; R80-E84 WeakPolarHBondContact CD-OE1 3.46Å; R80-E84 HydrophobicContact CG-CG 4.28Å; R80-E84 WeakPolarHBondContact CG-OE1 3.23Å; R80-E84 IonicContact CZ-OE1 2.96Å; R80-E84 IonicContact NH1-OE1 2.8Å; R80-E84 PolarHBondContact NH1-OE1 3.1Å; R80-E84 WeakPolarHBondContact O-CB 3.42Å; R80-E84 WeakPolarHBondContact O-CG 3.42Å; R80-E84 PolarHBondContact O-N 2.59Å; R80-D197 IonicContact CZ-OD1 3.77Å; R80-D197 IonicContact NE-OD1 2.62Å; R80-D197 IonicContact NH2-OD1 2.63Å; R80-D197 PolarHBondContact NH2-OD1 3.29Å; R80-L200 HydrophobicContact CB-CB 4.14Å; R80-L200 WeakPolarHBondContact CB-O 3.5Å; R80-L200 PolarHBondContact N-O 2.77Å
81	G	85.4	Confident	80.1	Confident	32 Å²	32	56 Å²	56	33%	0.33	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-42.3	-175.5	0	0	0	0	0	113.4	T78 K85	T78-G81 PolarHBondContact O-N 2.96Å; T78-G81 VanDerWaalsContact O-N 3.16Å; T78-G81 PolarHBondContact OG1-N 2.56Å; G81-K85 WeakPolarHBondContact O-CB 3.4Å; G81-K85 PolarHBondContact O-N 3.05Å
82	L	83.4	Confident	81	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-37.8	176.4	-84.3	172.8	0	0	0	113	E77 T78 R80 K85 L86 L132 L135	E77-L82 HydrophobicContact CB-CD1 3.91Å; E77-L82 HydrophobicContact CB-CG 4.03Å; E77-L82 HydrophobicContact CG-CG 4.38Å; T78-L82 PolarHBondContact O-N 3.49Å; R80-L82 PolarHBondContact O-N 3.29Å; L82-K85 HydrophobicContact CD2-CD 4.27Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 3.05Å; L82-L132 HydrophobicContact CB-CB 4.46Å; L82-L132 HydrophobicContact CB-CD1 4.19Å; L82-L135 HydrophobicContact CD1-CB 4.08Å; L82-L135 HydrophobicContact CD1-CD2 3.84Å; L82-L135 HydrophobicContact CD1-CG 4.46Å
83	T	87.9	Confident	82.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70	-44.4	177.9	-49.8	0	0	0	0	111.3	L79 R80 L86 R87 L132 C188 I191 L192	L79-T83 VanDerWaalsContact O-CB 3.31Å; L79-T83 WeakPolarHBondContact O-CB 3.2Å; L79-T83 PolarHBondContact O-N 3.44Å; L79-T83 PolarHBondContact O-OG1 2.83Å; R80-T83 PolarHBondContact O-N 2.95Å; T83-L86 PolarHBondContact O-N 3.41Å; T83-R87 VanDerWaalsContact O-CB 3.29Å; T83-R87 WeakPolarHBondContact O-CB 3.49Å; T83-R87 PolarHBondContact O-N 3.34Å; T83-L132 HydrophobicContact CG2-CD2 4.3Å; T83-L132 VanDerWaalsContact OG1-CD1 3.31Å; T83-L132 WeakPolarHBondContact OG1-CD1 3.21Å; T83-C188 HydrophobicContact CG2-CB 3.76Å; T83-C188 WeakPolarHBondContact CG2-O 3.5Å; T83-I191 HydrophobicContact CG2-CB 4.12Å; T83-I191 HydrophobicContact CG2-CG2 4Å; T83-L192 HydrophobicContact CG2-CD1 4.23Å; T83-L192 HydrophobicContact CG2-CD2 4.16Å; T83-L192 HydrophobicContact CG2-CG 3.78Å
84	E	89.8	Confident	83.6	Confident	77 Å²	77	47.6 Å²	47.6	36%	0.36	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-38.6	176.6	-70.7	172.1	-173.9	0	0	111.7	R80 R87 V88 L192	R80-E84 WeakPolarHBondContact CD-OE1 3.46Å; R80-E84 HydrophobicContact CG-CG 4.28Å; R80-E84 WeakPolarHBondContact CG-OE1 3.23Å; R80-E84 IonicContact CZ-OE1 2.96Å; R80-E84 IonicContact NH1-OE1 2.8Å; R80-E84 PolarHBondContact NH1-OE1 3.1Å; R80-E84 WeakPolarHBondContact O-CB 3.42Å; R80-E84 WeakPolarHBondContact O-CG 3.42Å; R80-E84 PolarHBondContact O-N 2.59Å; E84-R87 WeakPolarHBondContact O-CB 3.42Å; E84-R87 PolarHBondContact O-N 2.99Å; E84-V88 VanDerWaalsContact O-CG2 3.31Å; E84-V88 WeakPolarHBondContact O-CG2 3.49Å; E84-V88 PolarHBondContact O-N 2.84Å; E84-L192 HydrophobicContact CG-CD1 4.14Å; E84-L192 HydrophobicContact CG-CD2 4.28Å
85	K	90.1	Very high	85.2	Confident	96 Å²	96	50.1 Å²	50.1	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-48.4	171.9	-179.4	-176	-177.6	179.5	0	111.9	E77 G81 L82 V88 V89	E77-K85 IonicContact OE1-NZ 3.31Å; E77-K85 PolarHBondContact OE1-NZ 3.3Å; G81-K85 WeakPolarHBondContact O-CB 3.4Å; G81-K85 PolarHBondContact O-N 3.05Å; L82-K85 HydrophobicContact CD2-CD 4.27Å; K85-V88 PolarHBondContact O-N 2.94Å; K85-V89 WeakPolarHBondContact O-CG2 3.36Å; K85-V89 PolarHBondContact O-N 2.99Å; K85-V89 VanDerWaalsContact O-N 3.11Å
86	L	92.8	Very high	86.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-46.7	175.9	177.2	57.2	0	0	0	111.3	L82 T83 V88 V89 A90 L125 A129 L132	L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 3.05Å; T83-L86 PolarHBondContact O-N 3.41Å; L86-V88 PolarHBondContact O-N 3.33Å; L86-V89 PolarHBondContact O-N 3.35Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.42Å; L86-A90 PolarHBondContact O-N 2.98Å; L86-L125 HydrophobicContact CD1-CD1 3.66Å; L86-A129 HydrophobicContact CD1-CB 3.79Å; L86-A129 HydrophobicContact CD2-CB 4.18Å; L86-L132 HydrophobicContact CD2-CB 4.44Å; L86-L132 HydrophobicContact CD2-CD2 3.58Å
87	R	93.8	Very high	88.3	Confident	102 Å²	102	47.3 Å²	47.3	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-56.4	-45.3	177.8	-167.6	-168.9	-166.2	-156	8.2	112.3	T83 E84 A90 H91 V185 C188 D189	T83-R87 VanDerWaalsContact O-CB 3.29Å; T83-R87 WeakPolarHBondContact O-CB 3.49Å; T83-R87 PolarHBondContact O-N 3.34Å; E84-R87 WeakPolarHBondContact O-CB 3.42Å; E84-R87 PolarHBondContact O-N 2.99Å; R87-A90 PolarHBondContact O-N 3.32Å; R87-H91 VanDerWaalsContact O-CB 3.31Å; R87-H91 WeakPolarHBondContact O-CB 3.44Å; R87-H91 PolarHBondContact O-N 3.15Å; R87-V185 HydrophobicContact CG-CG1 4.32Å; R87-C188 HydrophobicContact CB-CB 3.93Å; R87-C188 HydrophobicContact CG-CB 4.13Å; R87-D189 IonicContact CZ-OD1 2.64Å; R87-D189 IonicContact CZ-OD2 3.79Å; R87-D189 IonicContact NE-OD1 2.69Å; R87-D189 PolarHBondContact NE-OD1 2.92Å; R87-D189 IonicContact NE-OD2 3.71Å; R87-D189 IonicContact NH2-OD1 3.97Å; R87-D189 PolarHBondContact NH2-OD1 3.16Å; R87-D189 IonicContact NH2-OD2 3.29Å; R87-D189 PolarHBondContact NH2-OD2 3.48Å
88	V	93.7	Very high	89.3	Confident	100 Å²	100	45.5 Å²	45.5	61%	0.606	24%	0.24	S	C	*	.	H	α-helix	trans	-66.8	-42.9	179.1	168.5	0	0	0	0	111.9	E84 K85 L86 H91 S92	E84-V88 VanDerWaalsContact O-CG2 3.31Å; E84-V88 WeakPolarHBondContact O-CG2 3.49Å; E84-V88 PolarHBondContact O-N 2.84Å; K85-V88 PolarHBondContact O-N 2.94Å; L86-V88 PolarHBondContact O-N 3.33Å; V88-H91 PolarHBondContact O-N 3.03Å; V88-S92 WeakPolarHBondContact O-CB 3.32Å; V88-S92 PolarHBondContact O-N 2.86Å; V88-S92 PolarHBondContact O-OG 3.04Å
89	V	92.7	Very high	89.7	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.085	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-41.7	176.3	179.9	0	0	0	0	110.7	K85 L86 H91 S92 L93 E124 L125	K85-V89 WeakPolarHBondContact O-CG2 3.36Å; K85-V89 PolarHBondContact O-N 2.99Å; K85-V89 VanDerWaalsContact O-N 3.11Å; L86-V89 PolarHBondContact O-N 3.35Å; V89-H91 PolarHBondContact O-N 3.39Å; V89-S92 PolarHBondContact O-N 3.48Å; V89-S92 PolarHBondContact O-OG 3.26Å; V89-S92 VanDerWaalsContact O-OG 3.11Å; V89-L93 PolarHBondContact O-N 3.14Å; V89-E124 HydrophobicContact CG1-CB 4.45Å; V89-E124 HydrophobicContact CG1-CG 4.28Å; V89-E124 HydrophobicContact CG2-CG 4.37Å; V89-L125 HydrophobicContact CB-CD1 4.43Å; V89-L125 HydrophobicContact CG1-CB 3.87Å; V89-L125 HydrophobicContact CG1-CD1 4.09Å
90	A	94	Very high	89.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-34	177	0	0	0	0	0	112.9	L86 R87 P94 L125 C181 L184 V185	L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.42Å; L86-A90 PolarHBondContact O-N 2.98Å; R87-A90 PolarHBondContact O-N 3.32Å; A90-P94 WeakPolarHBondContact O-CD 3.39Å; A90-P94 WeakPolarHBondContact O-CG 3.24Å; A90-L125 HydrophobicContact CB-CD1 3.79Å; A90-C181 WeakPolarHBondContact O-CB 3.26Å; A90-L184 HydrophobicContact CB-CB 4.24Å; A90-V185 HydrophobicContact CB-CG2 3.67Å
91	H	93.1	Very high	89.8	Confident	117 Å²	117	46.5 Å²	46.5	54%	0.542	26%	0.259	S	S	.	.	H	α-helix	trans	-78.2	-33.9	176	-169.5	-78.3	0	0	0	113	R87 V88 V89 V185	R87-H91 VanDerWaalsContact O-CB 3.31Å; R87-H91 WeakPolarHBondContact O-CB 3.44Å; R87-H91 PolarHBondContact O-N 3.15Å; V88-H91 PolarHBondContact O-N 3.03Å; V89-H91 PolarHBondContact O-N 3.39Å; H91-V185 HydrophobicContact CB-CG2 4.49Å
92	S	92.4	Very high	89.7	Confident	58 Å²	58	54.9 Å²	54.9	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-75.5	-34.4	-177.6	59.5	0	0	0	0	113.8	V88 V89 M95 A96	V88-S92 WeakPolarHBondContact O-CB 3.32Å; V88-S92 PolarHBondContact O-N 2.86Å; V88-S92 PolarHBondContact O-OG 3.04Å; V89-S92 PolarHBondContact O-N 3.48Å; V89-S92 PolarHBondContact O-OG 3.26Å; V89-S92 VanDerWaalsContact O-OG 3.11Å; S92-M95 PolarHBondContact O-N 3.44Å; S92-A96 PolarHBondContact O-N 3.38Å
93	L	92.6	Very high	89.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-47.4	-179	176.1	54.3	0	0	0	113.6	V89 M95 A96 I97 V118 N121 V122 L125 I177	V89-L93 PolarHBondContact O-N 3.14Å; L93-M95 VanDerWaalsContact C-N 3.29Å; L93-M95 PolarHBondContact O-N 3.27Å; L93-A96 PolarHBondContact O-N 3.23Å; L93-I97 HydrophobicContact CD1-CD1 3.73Å; L93-I97 HydrophobicContact CD1-CG1 4.01Å; L93-I97 HydrophobicContact CG-CD1 3.98Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 2.85Å; L93-V118 HydrophobicContact CD1-CG1 4.37Å; L93-N121 HydrophobicContact CD1-CB 3.7Å; L93-N121 HydrophobicContact CD2-CB 4.46Å; L93-V122 HydrophobicContact CD2-CG2 3.76Å; L93-L125 HydrophobicContact CD2-CD2 4Å; L93-I177 HydrophobicContact CD2-CG2 3.82Å; L93-I177 HydrophobicContact CG-CG2 4.21Å
94	P	92.7	Very high	88.5	Confident	14 Å²	14	69.1 Å²	69.1	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-55.1	-39.9	171.4	-30.1	37.3	0	0	0	114.1	A90 I97 Q98 I178 C181	A90-P94 WeakPolarHBondContact O-CD 3.39Å; A90-P94 WeakPolarHBondContact O-CG 3.24Å; P94-I97 PolarHBondContact O-N 3.2Å; P94-Q98 WeakPolarHBondContact O-CB 3.3Å; P94-Q98 VanDerWaalsContact O-CG 3.25Å; P94-Q98 WeakPolarHBondContact O-CG 3.49Å; P94-Q98 PolarHBondContact O-N 3.4Å; P94-I178 HydrophobicContact CB-CG1 4.01Å; P94-I178 HydrophobicContact CB-CG2 4.32Å; P94-I178 HydrophobicContact CG-CG1 4.37Å; P94-C181 HydrophobicContact CG-CB 3.6Å
95	M	90.1	Very high	87.8	Confident	100 Å²	100	70.4 Å²	70.4	49%	0.493	37%	0.37	S	S	.	.	H	α-helix	trans	-67.3	-40.3	179.3	-60.8	-63.4	99.2	0	0	111.6	S92 L93 G99	S92-M95 PolarHBondContact O-N 3.44Å; L93-M95 VanDerWaalsContact C-N 3.29Å; L93-M95 PolarHBondContact O-N 3.27Å; M95-G99 PolarHBondContact O-N 3.49Å
96	A	88.1	Confident	87.5	Confident	55 Å²	55	68.7 Å²	68.7	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-44.5	175	0	0	0	0	0	112.1	S92 L93 G99 G100	S92-A96 PolarHBondContact O-N 3.38Å; L93-A96 PolarHBondContact O-N 3.23Å; A96-G99 PolarHBondContact O-N 3.03Å; A96-G100 PolarHBondContact O-N 3.13Å
97	I	89.8	Confident	87	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-50.3	176.8	-70.4	168.7	0	0	0	110.9	L93 P94 G99 G100 W101 V118 E174 I177 I178	L93-I97 HydrophobicContact CD1-CD1 3.73Å; L93-I97 HydrophobicContact CD1-CG1 4.01Å; L93-I97 HydrophobicContact CG-CD1 3.98Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 2.85Å; P94-I97 PolarHBondContact O-N 3.2Å; I97-G99 VanDerWaalsContact C-N 3.27Å; I97-G99 PolarHBondContact O-N 3.24Å; I97-G100 WeakPolarHBondContact O-CA 3.46Å; I97-G100 PolarHBondContact O-N 2.63Å; I97-W101 HydrophobicContact CG2-CD2 4.47Å; I97-W101 HydrophobicContact CG2-CZ2 3.87Å; I97-W101 VanDerWaalsContact O-CD1 3.3Å; I97-W101 PolarHBondContact O-N 3.41Å; I97-V118 HydrophobicContact CD1-CG1 4.2Å; I97-V118 HydrophobicContact CG1-CG1 4.32Å; I97-V118 HydrophobicContact CG1-CG2 4.25Å; I97-E174 HydrophobicContact CD1-CG 4.42Å; I97-E174 HydrophobicContact CG1-CG 4.45Å; I97-E174 HydrophobicContact CG2-CB 3.67Å; I97-E174 HydrophobicContact CG2-CG 3.93Å; I97-I177 HydrophobicContact CD1-CB 4.45Å; I97-I177 HydrophobicContact CD1-CG2 3.83Å; I97-I178 HydrophobicContact CB-CD1 4.28Å; I97-I178 HydrophobicContact CD1-CG1 4.28Å; I97-I178 HydrophobicContact CG2-CD1 3.68Å; I97-I178 HydrophobicContact CG2-CG1 4.33Å
98	Q	89.6	Confident	86.3	Confident	65 Å²	65	68.7 Å²	68.7	30%	0.304	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-25.7	179.8	-69.6	175.6	3.5	0	0	113	P94 W101 R102 I178	P94-Q98 WeakPolarHBondContact O-CB 3.3Å; P94-Q98 VanDerWaalsContact O-CG 3.25Å; P94-Q98 WeakPolarHBondContact O-CG 3.49Å; P94-Q98 PolarHBondContact O-N 3.4Å; Q98-W101 HydrophobicContact CG-CE3 4.16Å; Q98-W101 HydrophobicContact CG-CZ3 4.24Å; Q98-R102 WeakPolarHBondContact O-CG 3.35Å; Q98-I178 HydrophobicContact CG-CD1 4.09Å
99	G	85.4	Confident	85.8	Confident	30 Å²	30	72.6 Å²	72.6	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-68.3	-40.3	167	0	0	0	0	0	112.3	M95 A96 I97 R102 H103	M95-G99 PolarHBondContact O-N 3.49Å; A96-G99 PolarHBondContact O-N 3.03Å; I97-G99 VanDerWaalsContact C-N 3.27Å; I97-G99 PolarHBondContact O-N 3.24Å; G99-R102 PolarHBondContact O-N 2.84Å; G99-H103 PolarHBondContact O-ND1 2.9Å
100	G	83.1	Confident	85.3	Confident	30 Å²	30	77.1 Å²	77.1	31%	0.309	41%	0.405	S	S	.	.	H	α-helix	trans	-58.6	-45.2	171.7	0	0	0	0	0	112.8	A96 I97 R102 H103	A96-G100 PolarHBondContact O-N 3.13Å; I97-G100 WeakPolarHBondContact O-CA 3.46Å; I97-G100 PolarHBondContact O-N 2.63Å; G100-R102 PolarHBondContact O-N 2.85Å; G100-R102 VanDerWaalsContact O-N 3.09Å; G100-H103 WeakPolarHBondContact O-CB 3.38Å; G100-H103 PolarHBondContact O-N 3.3Å
101	W	85.5	Confident	84.9	Confident	75 Å²	75	78 Å²	78	28%	0.284	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.9	177.4	-64.4	-2.1	0	0	0	114.4	I97 Q98 Y106 Y171 E174 I178	I97-W101 HydrophobicContact CG2-CD2 4.47Å; I97-W101 HydrophobicContact CG2-CZ2 3.87Å; I97-W101 VanDerWaalsContact O-CD1 3.3Å; I97-W101 PolarHBondContact O-N 3.41Å; Q98-W101 HydrophobicContact CG-CE3 4.16Å; Q98-W101 HydrophobicContact CG-CZ3 4.24Å; W101-Y106 AromaticContact CD1-CE2 3.45Å; W101-Y106 VanDerWaalsContact CD1-CE2 3.45Å; W101-Y106 AromaticContact CD1-CZ 3.44Å; W101-Y106 VanDerWaalsContact CD1-CZ 3.44Å; W101-Y106 AromaticContact NE1-CE2 3.95Å; W101-Y106 AromaticContact NE1-CZ 3.69Å; W101-Y106 PolarHBondContact NE1-OH 2.88Å; W101-Y171 HydrophobicContact CD2-CE2 4.18Å; W101-Y171 HydrophobicContact CE3-CE2 4.3Å; W101-Y171 HydrophobicContact CH2-CE2 4.12Å; W101-Y171 HydrophobicContact CZ2-CD2 4.14Å; W101-Y171 AromaticContact CZ2-CE2 3.98Å; W101-Y171 HydrophobicContact CZ2-CE2 3.98Å; W101-Y171 HydrophobicContact CZ3-CE2 4.28Å; W101-E174 HydrophobicContact CZ2-CB 4.08Å; W101-E174 PolarHBondContact NE1-OE2 2.84Å; W101-I178 HydrophobicContact CH2-CD1 3.62Å; W101-I178 HydrophobicContact CZ2-CD1 3.78Å; W101-I178 HydrophobicContact CZ3-CD1 4.35Å
102	R	83.3	Confident	84.5	Confident	208 Å²	208	76.5 Å²	76.5	79%	0.785	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.8	178.8	-66.4	172.6	-171.4	-95.6	3.8	113.5	Q98 G99 G100	Q98-R102 WeakPolarHBondContact O-CG 3.35Å; G99-R102 PolarHBondContact O-N 2.84Å; G100-R102 PolarHBondContact O-N 2.85Å; G100-R102 VanDerWaalsContact O-N 3.09Å
103	H	80.4	Confident	84.3	Confident	124 Å²	124	82.3 Å²	82.3	57%	0.574	43%	0.429	S	S	*	.	S	Bend	trans	-84.8	132.3	174.7	-74.7	68.5	0	0	0	110.8	G99 G100 S105 Y106	G99-H103 PolarHBondContact O-ND1 2.9Å; G100-H103 WeakPolarHBondContact O-CB 3.38Å; G100-H103 PolarHBondContact O-N 3.3Å; H103-S105 PolarHBondContact O-N 2.89Å; H103-Y106 WeakPolarHBondContact O-CB 3.47Å; H103-Y106 PolarHBondContact O-N 3.46Å
104	N	64.9	Low	84	Confident	181 Å²	181	82.9 Å²	82.9	97%	0.968	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-8.3	-179	-68.1	-14.4	0	0	0	114.6
105	S	75.3	Confident	83.8	Confident	103 Å²	103	85 Å²	85	72%	0.72	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	12.6	177	62.2	0	0	0	0	113.8	H103 D107	H103-S105 PolarHBondContact O-N 2.89Å; S105-D107 PolarHBondContact O-N 3.47Å
106	Y	84.3	Confident	83.7	Confident	61 Å²	61	86.1 Å²	86.1	24%	0.239	46%	0.458	C	S	.	.			trans	-71.7	110.2	-179.7	178.6	-97.6	0	0	0	111.9	W101 H103 Y171 E174	W101-Y106 AromaticContact CD1-CE2 3.45Å; W101-Y106 VanDerWaalsContact CD1-CE2 3.45Å; W101-Y106 AromaticContact CD1-CZ 3.44Å; W101-Y106 VanDerWaalsContact CD1-CZ 3.44Å; W101-Y106 AromaticContact NE1-CE2 3.95Å; W101-Y106 AromaticContact NE1-CZ 3.69Å; W101-Y106 PolarHBondContact NE1-OH 2.88Å; H103-Y106 WeakPolarHBondContact O-CB 3.47Å; H103-Y106 PolarHBondContact O-N 3.46Å; Y106-Y171 HydrophobicContact CE1-CD2 4.1Å; Y106-Y171 VanDerWaalsContact OH-CA 3.26Å; Y106-Y171 WeakPolarHBondContact OH-CA 3.49Å; Y106-Y171 WeakPolarHBondContact OH-CB 3.49Å; Y106-E174 WeakPolarHBondContact CE2-OE2 3.42Å; Y106-E174 PolarHBondContact OH-OE2 2.75Å
107	D	81.4	Confident	83.6	Confident	102 Å²	102	85.6 Å²	85.6	55%	0.545	46%	0.459	S	S	.	.			trans	-96.8	6.4	-177.1	72.5	-26.8	0	0	0	113.7	S105 R109 S110 A111	S105-D107 PolarHBondContact O-N 3.47Å; D107-R109 PolarHBondContact O-N 2.75Å; D107-S110 PolarHBondContact O-N 3.21Å; D107-A111 PolarHBondContact O-N 2.8Å
108	G	79.9	Confident	83.6	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-6.6	-166.5	0	0	0	0	0	116.8	V170 Y171	G108-V170 PolarHBondContact O-N 2.82Å; G108-Y171 WeakPolarHBondContact O-CB 3.44Å; G108-Y171 PolarHBondContact O-N 2.88Å
109	R	83.6	Confident	83.6	Confident	182 Å²	182	85.9 Å²	85.9	69%	0.687	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.9	167.5	-70.1	-177.7	177.2	-109.7	-2.8	113.4	D107 T169	D107-R109 PolarHBondContact O-N 2.75Å; R109-T169 WeakPolarHBondContact O-CG2 3.49Å
110	S	80.9	Confident	83.8	Confident	109 Å²	109	90.9 Å²	90.9	76%	0.762	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-29.9	-179.8	-58.9	0	0	0	0	112.5	D107	D107-S110 PolarHBondContact O-N 3.21Å
111	A	86.9	Confident	84.1	Confident	20 Å²	20	91.6 Å²	91.6	17%	0.165	47%	0.472	C	S	.	.			trans	-71.8	147.2	173.9	0	0	0	0	0	112.8	D107 T169 V170	D107-A111 PolarHBondContact O-N 2.8Å; A111-T169 CarbonylContact O-C 3.57Å; A111-T169 WeakPolarHBondContact O-CA 3.22Å; A111-V170 HydrophobicContact CB-CB 4.3Å; A111-V170 HydrophobicContact CB-CG2 3.82Å; A111-V170 WeakPolarHBondContact O-CG2 3.31Å; A111-V170 PolarHBondContact O-N 3.11Å
112	T	84.9	Confident	84.5	Confident	84 Å²	84	88.3 Å²	88.3	52%	0.515	46%	0.46	S	S	.	.			trans	-115.3	-14.7	177	55.7	0	0	0	0	113.8	K173	T112-K173 PolarHBondContact O-NZ 3.05Å
113	K	86.8	Confident	84.8	Confident	180 Å²	180	83.6 Å²	83.6	78%	0.783	45%	0.45	S	S	*	.	S	Bend	trans	-103.4	124.1	178.8	-64.7	-178.4	-179.2	178	0	110	V170	K113-V170 VanDerWaalsContact C-CG2 3.45Å; K113-V170 WeakPolarHBondContact O-CG2 3.34Å
114	L	87.1	Confident	85.2	Confident	13 Å²	13	82 Å²	82	7%	0.068	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-61.8	142.9	178.5	-77.5	162.6	0	0	0	111.8	V118 L119 V164 V170 K173 E174 I177	L114-V118 HydrophobicContact CD2-CG1 4.18Å; L114-L119 HydrophobicContact CB-CD1 4.3Å; L114-L119 HydrophobicContact CB-CD2 3.89Å; L114-L119 HydrophobicContact CB-CG 3.86Å; L114-L119 HydrophobicContact CD1-CD2 3.99Å; L114-V164 HydrophobicContact CD1-CB 4.27Å; L114-V164 HydrophobicContact CD1-CG1 4.35Å; L114-V164 HydrophobicContact CD1-CG2 3.81Å; L114-V170 HydrophobicContact CD2-CG1 4.34Å; L114-K173 HydrophobicContact CD1-CB 4.34Å; L114-K173 HydrophobicContact CD1-CD 4.06Å; L114-K173 HydrophobicContact CD2-CB 3.95Å; L114-K173 HydrophobicContact CD2-CD 4.46Å; L114-K173 HydrophobicContact CG-CB 4.3Å; L114-K173 HydrophobicContact CG-CD 3.96Å; L114-E174 HydrophobicContact CD2-CG 3.87Å; L114-I177 HydrophobicContact CD1-CD1 3.95Å; L114-I177 HydrophobicContact CD2-CD1 4.2Å
115	P	88.7	Confident	86.5	Confident	59 Å²	59	73.4 Å²	73.4	38%	0.383	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-58.7	144.5	174.5	-23.9	33.6	0	0	0	112.6	G117 V118 L119	P115-G117 PolarHBondContact O-N 2.98Å; P115-V118 HydrophobicContact CB-CG2 4.18Å; P115-V118 HydrophobicContact CG-CG2 4.23Å; P115-V118 PolarHBondContact O-N 2.8Å; P115-L119 PolarHBondContact O-N 2.95Å
116	V	87.4	Confident	87.1	Confident	123 Å²	123	71.2 Å²	71.2	75%	0.745	38%	0.376	S	S	*	.	H	α-helix	trans	-58	-35.3	-177.3	-177.9	0	0	0	0	112.3	L119 K120	V116-L119 PolarHBondContact O-N 3.49Å; V116-K120 PolarHBondContact O-N 2.87Å
117	G	87.3	Confident	87.1	Confident	45 Å²	45	72.6 Å²	72.6	46%	0.464	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174.3	0	0	0	0	0	113.4	P115 K120 N121	P115-G117 PolarHBondContact O-N 2.98Å; G117-K120 PolarHBondContact O-N 3.36Å; G117-N121 VanDerWaalsContact O-CG 3.24Å; G117-N121 PolarHBondContact O-N 3.13Å; G117-N121 VanDerWaalsContact O-N 3.11Å; G117-N121 PolarHBondContact O-OD1 2.9Å
118	V	89.3	Confident	87.4	Confident	17 Å²	17	68 Å²	68	10%	0.103	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-43	175.6	-179.6	0	0	0	0	110	L93 I97 L114 P115 K120 N121 V122 I177	L93-V118 HydrophobicContact CD1-CG1 4.37Å; I97-V118 HydrophobicContact CD1-CG1 4.2Å; I97-V118 HydrophobicContact CG1-CG1 4.32Å; I97-V118 HydrophobicContact CG1-CG2 4.25Å; L114-V118 HydrophobicContact CD2-CG1 4.18Å; P115-V118 HydrophobicContact CB-CG2 4.18Å; P115-V118 HydrophobicContact CG-CG2 4.23Å; P115-V118 PolarHBondContact O-N 2.8Å; V118-K120 PolarHBondContact O-N 2.89Å; V118-N121 PolarHBondContact O-N 2.87Å; V118-V122 HydrophobicContact CG1-CG2 4.47Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 3.08Å; V118-I177 HydrophobicContact CG1-CD1 4.36Å
119	L	90.1	Very high	87.7	Confident	57 Å²	57	68 Å²	68	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-40.6	176.2	-69.7	172.6	0	0	0	112.8	L114 P115 V116 V122 I123 V164	L114-L119 HydrophobicContact CB-CD1 4.3Å; L114-L119 HydrophobicContact CB-CD2 3.89Å; L114-L119 HydrophobicContact CB-CG 3.86Å; L114-L119 HydrophobicContact CD1-CD2 3.99Å; P115-L119 PolarHBondContact O-N 2.95Å; V116-L119 PolarHBondContact O-N 3.49Å; L119-V122 PolarHBondContact O-N 2.87Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 3.49Å; L119-V164 HydrophobicContact CD2-CG1 3.81Å; L119-V164 HydrophobicContact CD2-CG2 4.26Å
120	K	89.1	Confident	87.6	Confident	136 Å²	136	67.9 Å²	67.9	59%	0.591	37%	0.367	S	S	*	.	H	α-helix	trans	-58.5	-50	173.9	-175	-164.8	171.7	-163.9	0	110.7	V116 G117 V118 V122 I123 E124	V116-K120 PolarHBondContact O-N 2.87Å; G117-K120 PolarHBondContact O-N 3.36Å; V118-K120 PolarHBondContact O-N 2.89Å; K120-V122 VanDerWaalsContact C-N 3.33Å; K120-V122 PolarHBondContact O-N 3.46Å; K120-I123 WeakPolarHBondContact O-CB 3.23Å; K120-I123 PolarHBondContact O-N 3.19Å; K120-I123 VanDerWaalsContact O-N 3.09Å; K120-E124 PolarHBondContact O-N 2.88Å
121	N	90.3	Very high	87.3	Confident	45 Å²	45	63.8 Å²	63.8	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-33.9	-177.7	-63.1	4.7	0	0	0	111.9	L93 G117 V118 E124 L125	L93-N121 HydrophobicContact CD1-CB 3.7Å; L93-N121 HydrophobicContact CD2-CB 4.46Å; G117-N121 VanDerWaalsContact O-CG 3.24Å; G117-N121 PolarHBondContact O-N 3.13Å; G117-N121 VanDerWaalsContact O-N 3.11Å; G117-N121 PolarHBondContact O-OD1 2.9Å; V118-N121 PolarHBondContact O-N 2.87Å; N121-E124 PolarHBondContact O-N 3.47Å; N121-L125 WeakPolarHBondContact O-CB 3.35Å; N121-L125 PolarHBondContact O-N 3.31Å
122	V	92.6	Very high	87.1	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-36	171.4	170.2	0	0	0	0	111.8	L93 V118 L119 K120 I126 V164 I177	L93-V122 HydrophobicContact CD2-CG2 3.76Å; V118-V122 HydrophobicContact CG1-CG2 4.47Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 3.08Å; L119-V122 PolarHBondContact O-N 2.87Å; K120-V122 VanDerWaalsContact C-N 3.33Å; K120-V122 PolarHBondContact O-N 3.46Å; V122-I126 HydrophobicContact CG1-CD1 3.86Å; V122-I126 WeakPolarHBondContact O-CB 3.27Å; V122-I126 VanDerWaalsContact O-CG1 3.27Å; V122-I126 WeakPolarHBondContact O-CG1 3.22Å; V122-I126 PolarHBondContact O-N 3.14Å; V122-V164 HydrophobicContact CG1-CG2 4.27Å; V122-I177 HydrophobicContact CG2-CD1 4.17Å; V122-I177 HydrophobicContact CG2-CG2 4.34Å
123	I	89.1	Confident	86.7	Confident	109 Å²	109	61.1 Å²	61.1	56%	0.559	32%	0.319	S	S	*	.	H	α-helix	trans	-67.6	-40.2	173.7	-68.8	163.3	0	0	0	111.1	L119 K120 I126 T127	L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 3.49Å; K120-I123 WeakPolarHBondContact O-CB 3.23Å; K120-I123 PolarHBondContact O-N 3.19Å; K120-I123 VanDerWaalsContact O-N 3.09Å; I123-I126 PolarHBondContact O-N 3.38Å; I123-T127 WeakPolarHBondContact O-CB 3.44Å; I123-T127 PolarHBondContact O-N 3.23Å; I123-T127 PolarHBondContact O-OG1 3.48Å
124	E	89.3	Confident	85.9	Confident	92 Å²	92	55.3 Å²	55.3	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.1	-170.1	168.6	170.2	0	0	112	V89 K120 N121 T127 S128	V89-E124 HydrophobicContact CG1-CB 4.45Å; V89-E124 HydrophobicContact CG1-CG 4.28Å; V89-E124 HydrophobicContact CG2-CG 4.37Å; K120-E124 PolarHBondContact O-N 2.88Å; N121-E124 PolarHBondContact O-N 3.47Å; E124-T127 PolarHBondContact O-N 2.9Å; E124-S128 WeakPolarHBondContact O-CB 3.31Å; E124-S128 PolarHBondContact O-N 3.41Å; E124-S128 PolarHBondContact O-OG 3.03Å
125	L	92.2	Very high	85.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-50.7	173.1	-178.4	60.2	0	0	0	111.5	L86 V89 A90 L93 N121 T127 S128 A129 L160 L184	L86-L125 HydrophobicContact CD1-CD1 3.66Å; V89-L125 HydrophobicContact CB-CD1 4.43Å; V89-L125 HydrophobicContact CG1-CB 3.87Å; V89-L125 HydrophobicContact CG1-CD1 4.09Å; A90-L125 HydrophobicContact CB-CD1 3.79Å; L93-L125 HydrophobicContact CD2-CD2 4Å; N121-L125 WeakPolarHBondContact O-CB 3.35Å; N121-L125 PolarHBondContact O-N 3.31Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 2.67Å; L125-S128 PolarHBondContact O-N 3.39Å; L125-A129 VanDerWaalsContact O-CB 3.3Å; L125-A129 WeakPolarHBondContact O-CB 3.16Å; L125-A129 PolarHBondContact O-N 3.26Å; L125-L160 HydrophobicContact CD2-CD1 3.64Å; L125-L160 HydrophobicContact CD2-CD2 4.48Å; L125-L160 HydrophobicContact CG-CD1 4.16Å; L125-L184 HydrophobicContact CD1-CD1 4.14Å; L125-L184 HydrophobicContact CD2-CD1 4.14Å; L125-L184 HydrophobicContact CG-CD1 4.21Å
126	I	88.3	Confident	84.5	Confident	56 Å²	56	53.2 Å²	53.2	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-35.2	178	-69.7	167.4	0	0	0	111.4	V122 I123 R130 L160	V122-I126 HydrophobicContact CG1-CD1 3.86Å; V122-I126 WeakPolarHBondContact O-CB 3.27Å; V122-I126 VanDerWaalsContact O-CG1 3.27Å; V122-I126 WeakPolarHBondContact O-CG1 3.22Å; V122-I126 PolarHBondContact O-N 3.14Å; I123-I126 PolarHBondContact O-N 3.38Å; I126-R130 WeakPolarHBondContact O-CB 3.18Å; I126-R130 PolarHBondContact O-N 3.49Å; I126-L160 HydrophobicContact CD1-CB 4.35Å; I126-L160 HydrophobicContact CG1-CD1 4.3Å
127	T	84.1	Confident	83.5	Confident	90 Å²	90	51.4 Å²	51.4	55%	0.552	27%	0.272	S	S	*	.	H	α-helix	trans	-67.1	-45.5	176.5	-59.2	0	0	0	0	111.3	I123 E124 L125 R130 G131	I123-T127 WeakPolarHBondContact O-CB 3.44Å; I123-T127 PolarHBondContact O-N 3.23Å; I123-T127 PolarHBondContact O-OG1 3.48Å; E124-T127 PolarHBondContact O-N 2.9Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 2.67Å; T127-R130 PolarHBondContact O-N 2.73Å; T127-G131 PolarHBondContact O-N 2.94Å
128	S	87	Confident	82.2	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-41.3	176.9	-56.4	0	0	0	0	111.6	E124 L125 G131 L132	E124-S128 WeakPolarHBondContact O-CB 3.31Å; E124-S128 PolarHBondContact O-N 3.41Å; E124-S128 PolarHBondContact O-OG 3.03Å; L125-S128 PolarHBondContact O-N 3.39Å; S128-G131 PolarHBondContact O-N 3.39Å; S128-L132 PolarHBondContact O-N 2.89Å; S128-L132 VanDerWaalsContact O-N 3.14Å
129	A	87.2	Confident	80.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-37.7	175.6	0	0	0	0	0	112.5	L86 L125 L132 F133 I153 C157	L86-A129 HydrophobicContact CD1-CB 3.79Å; L86-A129 HydrophobicContact CD2-CB 4.18Å; L125-A129 VanDerWaalsContact O-CB 3.3Å; L125-A129 WeakPolarHBondContact O-CB 3.16Å; L125-A129 PolarHBondContact O-N 3.26Å; A129-L132 PolarHBondContact O-N 2.91Å; A129-F133 VanDerWaalsContact O-CB 3.24Å; A129-F133 WeakPolarHBondContact O-CB 3.44Å; A129-F133 PolarHBondContact O-N 2.63Å; A129-I153 HydrophobicContact CB-CG2 4.1Å; A129-C157 WeakPolarHBondContact CB-SG 3.5Å
130	R	81.4	Confident	78.8	Confident	180 Å²	180	55.8 Å²	55.8	68%	0.679	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-41.2	172.5	-176.3	-178.9	178.8	-165.1	-0.6	111.5	I126 T127 F133 C134	I126-R130 WeakPolarHBondContact O-CB 3.18Å; I126-R130 PolarHBondContact O-N 3.49Å; T127-R130 PolarHBondContact O-N 2.73Å; R130-F133 PolarHBondContact O-N 3.17Å; R130-C134 VanDerWaalsContact O-CB 3.25Å; R130-C134 WeakPolarHBondContact O-CB 3.25Å; R130-C134 PolarHBondContact O-N 2.97Å; R130-C134 PolarHBondContact O-SG 3.19Å; R130-C134 VanDerWaalsContact O-SG 3.36Å
131	G	75.4	Confident	76.9	Confident	22 Å²	22	51.5 Å²	51.5	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-53.5	174.4	0	0	0	0	0	111.6	T127 S128 F133 C134 L135	T127-G131 PolarHBondContact O-N 2.94Å; S128-G131 PolarHBondContact O-N 3.39Å; G131-F133 PolarHBondContact O-N 2.97Å; G131-C134 PolarHBondContact O-N 3.3Å; G131-L135 WeakPolarHBondContact O-CB 3.45Å; G131-L135 PolarHBondContact O-N 3.19Å
132	L	80.8	Confident	74.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-41.5	178.1	-175.6	60.8	0	0	0	113.1	L79 L82 T83 L86 S128 A129 L135 L136 I153 I191	L79-L132 HydrophobicContact CD1-CD1 3.67Å; L82-L132 HydrophobicContact CB-CB 4.46Å; L82-L132 HydrophobicContact CB-CD1 4.19Å; T83-L132 HydrophobicContact CG2-CD2 4.3Å; T83-L132 VanDerWaalsContact OG1-CD1 3.31Å; T83-L132 WeakPolarHBondContact OG1-CD1 3.21Å; L86-L132 HydrophobicContact CD2-CB 4.44Å; L86-L132 HydrophobicContact CD2-CD2 3.58Å; S128-L132 PolarHBondContact O-N 2.89Å; S128-L132 VanDerWaalsContact O-N 3.14Å; A129-L132 PolarHBondContact O-N 2.91Å; L132-L135 WeakPolarHBondContact O-CB 3.37Å; L132-L135 PolarHBondContact O-N 2.94Å; L132-L136 HydrophobicContact CD1-CD1 4.26Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 WeakPolarHBondContact O-CG 3.32Å; L132-L136 PolarHBondContact O-N 3.46Å; L132-I153 HydrophobicContact CD2-CD1 3.82Å; L132-I153 HydrophobicContact CG-CD1 4.16Å; L132-I191 HydrophobicContact CD2-CD1 4.03Å
133	F	76.9	Confident	72.5	Confident	48 Å²	48	59.3 Å²	59.3	21%	0.211	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-42.6	177.3	175.8	-101.6	0	0	0	112.7	A129 R130 G131 L135 L136 N137 T150 I153 F154	A129-F133 VanDerWaalsContact O-CB 3.24Å; A129-F133 WeakPolarHBondContact O-CB 3.44Å; A129-F133 PolarHBondContact O-N 2.63Å; R130-F133 PolarHBondContact O-N 3.17Å; G131-F133 PolarHBondContact O-N 2.97Å; F133-L135 VanDerWaalsContact C-N 3.28Å; F133-L135 PolarHBondContact O-N 3.35Å; F133-L136 PolarHBondContact O-N 2.91Å; F133-N137 WeakPolarHBondContact CD1-ND2 3.37Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.28Å; F133-N137 VanDerWaalsContact CE2-ND2 3.32Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.4Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.42Å; F133-N137 WeakPolarHBondContact O-CB 3.5Å; F133-N137 PolarHBondContact O-N 3.19Å; F133-N137 VanDerWaalsContact O-N 3.07Å; F133-N137 PolarHBondContact O-ND2 3.34Å; F133-N137 VanDerWaalsContact O-ND2 3.1Å; F133-T150 HydrophobicContact CD2-CG2 3.7Å; F133-T150 HydrophobicContact CE2-CG2 3.82Å; F133-I153 HydrophobicContact CB-CG2 4.07Å; F133-F154 HydrophobicContact CD2-CB 4.29Å; F133-F154 HydrophobicContact CE1-CD2 4.26Å; F133-F154 HydrophobicContact CE2-CB 3.74Å; F133-F154 HydrophobicContact CE2-CD2 4.2Å; F133-F154 HydrophobicContact CE2-CG 4.31Å; F133-F154 HydrophobicContact CZ-CB 4.21Å; F133-F154 AromaticContact CZ-CD2 3.8Å; F133-F154 HydrophobicContact CZ-CD2 3.8Å; F133-F154 HydrophobicContact CZ-CG 4.29Å
134	C	70.8	Confident	70.2	Confident	58 Å²	58	61.4 Å²	61.4	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-29.4	174	-74.5	0	0	0	0	112.2	R130 G131 R138	R130-C134 VanDerWaalsContact O-CB 3.25Å; R130-C134 WeakPolarHBondContact O-CB 3.25Å; R130-C134 PolarHBondContact O-N 2.97Å; R130-C134 PolarHBondContact O-SG 3.19Å; R130-C134 VanDerWaalsContact O-SG 3.36Å; G131-C134 PolarHBondContact O-N 3.3Å; C134-R138 WeakPolarHBondContact O-CD 3.3Å; C134-R138 WeakPolarHBondContact O-CG 3.33Å
135	L	72	Confident	68.2	Low	21 Å²	21	60 Å²	60	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-67.5	-62	169.4	-174	66.3	0	0	0	110	L79 L82 G131 L132 F133 N137 R138 Y139 I289	L79-L135 HydrophobicContact CB-CD2 3.95Å; L79-L135 HydrophobicContact CD1-CD2 3.83Å; L82-L135 HydrophobicContact CD1-CB 4.08Å; L82-L135 HydrophobicContact CD1-CD2 3.84Å; L82-L135 HydrophobicContact CD1-CG 4.46Å; G131-L135 WeakPolarHBondContact O-CB 3.45Å; G131-L135 PolarHBondContact O-N 3.19Å; L132-L135 WeakPolarHBondContact O-CB 3.37Å; L132-L135 PolarHBondContact O-N 2.94Å; F133-L135 VanDerWaalsContact C-N 3.28Å; F133-L135 PolarHBondContact O-N 3.35Å; L135-N137 PolarHBondContact O-N 3.09Å; L135-R138 WeakPolarHBondContact O-CB 3.23Å; L135-R138 PolarHBondContact O-N 3.21Å; L135-Y139 HydrophobicContact CD1-CE2 3.62Å; L135-Y139 HydrophobicContact CG-CE2 3.66Å; L135-Y139 WeakPolarHBondContact O-CD2 3.46Å; L135-Y139 WeakPolarHBondContact O-CE2 3.03Å; L135-I289 HydrophobicContact CD1-CD1 3.81Å
136	L	73	Confident	66.3	Low	8 Å²	8	61.6 Å²	61.6	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-53.4	-44.8	-175	-72.4	168	0	0	0	114	L79 L132 F133 R138 Y139 T150 I153 I191	L79-L136 HydrophobicContact CD1-CD2 3.98Å; L132-L136 HydrophobicContact CD1-CD1 4.26Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 WeakPolarHBondContact O-CG 3.32Å; L132-L136 PolarHBondContact O-N 3.46Å; F133-L136 PolarHBondContact O-N 2.91Å; L136-R138 PolarHBondContact O-N 3.15Å; L136-R138 VanDerWaalsContact O-N 3.17Å; L136-Y139 PolarHBondContact O-N 3.02Å; L136-T150 HydrophobicContact CB-CG2 4.17Å; L136-I153 HydrophobicContact CD1-CD1 3.71Å; L136-I191 HydrophobicContact CD1-CD1 3.95Å
137	N	66.9	Low	64.7	Low	84 Å²	84	66.2 Å²	66.2	45%	0.449	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.8	-179.9	-78.5	-38	0	0	0	113.9	F133 L135 Y139 T150	F133-N137 WeakPolarHBondContact CD1-ND2 3.37Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.28Å; F133-N137 VanDerWaalsContact CE2-ND2 3.32Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.4Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.42Å; F133-N137 WeakPolarHBondContact O-CB 3.5Å; F133-N137 PolarHBondContact O-N 3.19Å; F133-N137 VanDerWaalsContact O-N 3.07Å; F133-N137 PolarHBondContact O-ND2 3.34Å; F133-N137 VanDerWaalsContact O-ND2 3.1Å; L135-N137 PolarHBondContact O-N 3.09Å; N137-Y139 VanDerWaalsContact C-N 3.33Å; N137-Y139 PolarHBondContact O-N 3.41Å; N137-T150 VanDerWaalsContact OD1-CG2 3.31Å; N137-T150 WeakPolarHBondContact OD1-CG2 3.49Å
138	R	60.7	Low	63.6	Low	65 Å²	65	65.2 Å²	65.2	25%	0.245	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-74.4	-19.5	-178.5	-74	171.9	164.9	-133.5	-5.9	114.1	C134 L135 L136 Y233 E254	C134-R138 WeakPolarHBondContact O-CD 3.3Å; C134-R138 WeakPolarHBondContact O-CG 3.33Å; L135-R138 WeakPolarHBondContact O-CB 3.23Å; L135-R138 PolarHBondContact O-N 3.21Å; L136-R138 PolarHBondContact O-N 3.15Å; L136-R138 VanDerWaalsContact O-N 3.17Å; R138-Y233 PolarHBondContact NH2-OH 3.24Å; R138-E254 IonicContact CZ-OE1 2.74Å; R138-E254 IonicContact CZ-OE2 3.95Å; R138-E254 VanDerWaalsContact CZ-OE2 3.31Å; R138-E254 IonicContact NH1-OE1 3.75Å; R138-E254 IonicContact NH1-OE2 2.96Å; R138-E254 PolarHBondContact NH1-OE2 3.12Å; R138-E254 IonicContact NH2-OE1 3.17Å; R138-E254 PolarHBondContact NH2-OE1 3.21Å; R138-E254 IonicContact NH2-OE2 2.63Å; R138-E254 PolarHBondContact NH2-OE2 3.26Å; R138-E254 VanDerWaalsContact NH2-OE2 3.1Å
139	Y	55.5	Low	62.7	Low	38 Å²	38	65 Å²	65	15%	0.149	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-87.3	-7.9	-172.1	-68.8	-120.1	0	0	0	113.5	L135 L136 N137 L141 I289	L135-Y139 HydrophobicContact CD1-CE2 3.62Å; L135-Y139 HydrophobicContact CG-CE2 3.66Å; L135-Y139 WeakPolarHBondContact O-CD2 3.46Å; L135-Y139 WeakPolarHBondContact O-CE2 3.03Å; L136-Y139 PolarHBondContact O-N 3.02Å; N137-Y139 VanDerWaalsContact C-N 3.33Å; N137-Y139 PolarHBondContact O-N 3.41Å; Y139-L141 HydrophobicContact CG-CD1 4.28Å; Y139-L141 PolarHBondContact O-N 3.23Å; Y139-L141 VanDerWaalsContact O-N 3.1Å; Y139-I289 HydrophobicContact CD2-CD1 4.23Å; Y139-I289 HydrophobicContact CE1-CB 4.04Å; Y139-I289 HydrophobicContact CE1-CG2 3.76Å; Y139-I289 HydrophobicContact CE2-CD1 3.53Å; Y139-I289 WeakPolarHBondContact OH-CG2 3.36Å
140	Q	51.8	Low	61.8	Low	108 Å²	108	65.7 Å²	65.7	51%	0.505	33%	0.333	S	S	.	.			trans	39.4	48.9	-171.1	-61.4	-161.2	4.9	0	0	113	S142 S251	Q140-S142 PolarHBondContact O-N 3.2Å; Q140-S251 VanDerWaalsContact CD-O 3.3Å
141	L	50.4	Low	61.4	Low	46 Å²	46	61 Å²	61	24%	0.241	32%	0.319	C	S	.	.			trans	-64.2	92.8	-172.7	-78.5	155.7	0	0	0	111	Y139 Q143	Y139-L141 HydrophobicContact CG-CD1 4.28Å; Y139-L141 PolarHBondContact O-N 3.23Å; Y139-L141 VanDerWaalsContact O-N 3.1Å; L141-Q143 PolarHBondContact O-N 2.84Å
142	S	42.1	Very low	61.8	Low	116 Å²	116	61.8 Å²	61.8	81%	0.811	32%	0.322	S	S	*	.			trans	-69.6	30.6	179.2	49.8	0	0	0	0	114.2	Q140	Q140-S142 PolarHBondContact O-N 3.2Å
143	Q	48.2	Very low	62	Low	99 Å²	99	61.9 Å²	61.9	46%	0.463	32%	0.322	S	S	.	.	S	Bend	trans	-112.5	109.1	173.1	-68	-74.2	-10.9	0	0	106.5	L141 S145 R146	L141-Q143 PolarHBondContact O-N 2.84Å; Q143-S145 PolarHBondContact O-N 2.81Å; Q143-R146 PolarHBondContact O-N 3.35Å
144	L	39.7	Very low	62.3	Low	153 Å²	153	64.6 Å²	64.6	80%	0.801	33%	0.334	S	S	*	.	H	α-helix	trans	-53.8	-27.8	-166.5	-71.2	84.5	0	0	0	113.8	R146	L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 3.36Å
145	S	48.3	Very low	63.2	Low	62 Å²	62	64.7 Å²	64.7	43%	0.434	33%	0.333	S	S	.	.	H	α-helix	trans	-72	-4	-179.7	57.3	0	0	0	0	116.6	Q143 T148 S149	Q143-S145 PolarHBondContact O-N 2.81Å; S145-T148 VanDerWaalsContact C-OG1 3.27Å; S145-T148 PolarHBondContact O-OG1 2.98Å; S145-S149 PolarHBondContact O-OG 3.23Å
146	R	52.7	Low	64.1	Low	33 Å²	33	64.6 Å²	64.6	13%	0.125	33%	0.332	C	S	.	.	H	α-helix	trans	-114.1	-13.3	174.8	-59.1	-167	-164.5	85	0.3	114.2	Q143 L144 T148 T150 S194	Q143-R146 PolarHBondContact O-N 3.35Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 3.36Å; R146-T148 VanDerWaalsContact C-N 3.31Å; R146-T150 PolarHBondContact O-N 3.23Å; R146-T150 PolarHBondContact O-OG1 3.29Å; R146-S194 PolarHBondContact NH2-O 3.02Å
147	Y	54.1	Low	64.9	Low	154 Å²	154	65.2 Å²	65.2	60%	0.604	34%	0.337	S	S	*	.	H	α-helix	trans	-64.3	-40.9	166.8	-177.3	-104.6	0	0	0	110.6	T150 Q151	Y147-T150 PolarHBondContact O-N 3.48Å; Y147-Q151 HydrophobicContact CD1-CG 4.26Å; Y147-Q151 HydrophobicContact CE1-CG 3.88Å; Y147-Q151 HydrophobicContact CE2-CG 4.32Å; Y147-Q151 WeakPolarHBondContact O-CG 3.26Å; Y147-Q151 PolarHBondContact O-N 2.97Å; Y147-Q151 PolarHBondContact OH-NE2 3.02Å
148	T	61.6	Low	65.9	Low	69 Å²	69	66.7 Å²	66.7	42%	0.423	34%	0.339	S	S	.	.	H	α-helix	trans	-53.3	-56.5	171	45.1	0	0	0	0	112.1	S145 R146 T150 Q151 S152	S145-T148 VanDerWaalsContact C-OG1 3.27Å; S145-T148 PolarHBondContact O-OG1 2.98Å; R146-T148 VanDerWaalsContact C-N 3.31Å; T148-T150 PolarHBondContact O-N 3.24Å; T148-Q151 PolarHBondContact O-N 3.23Å; T148-S152 WeakPolarHBondContact O-CB 3.46Å; T148-S152 PolarHBondContact O-N 3.1Å; T148-S152 PolarHBondContact O-OG 3.08Å; T148-S152 VanDerWaalsContact O-OG 3.08Å
149	S	67.7	Low	67.4	Low	1 Å²	1	66.5 Å²	66.5	1%	0.007	34%	0.343	C	S	.	.	H	α-helix	trans	-55.4	-40.1	179.8	-38.8	0	0	0	0	112.1	S145 S152 I153 E190	S145-S149 PolarHBondContact O-OG 3.23Å; S149-S152 PolarHBondContact O-N 3.01Å; S149-I153 WeakPolarHBondContact O-CG1 3.38Å; S149-I153 PolarHBondContact O-N 2.91Å; S149-E190 WeakPolarHBondContact CB-OE2 3.45Å; S149-E190 PolarHBondContact OG-OE2 3.41Å
150	T	66.9	Low	69.1	Low	14 Å²	14	64.7 Å²	64.7	9%	0.086	34%	0.336	C	S	.	.	H	α-helix	trans	-71.1	-42.9	-178.3	-51.6	0	0	0	0	112	F133 L136 N137 R146 Y147 T148 I153 F154	F133-T150 HydrophobicContact CD2-CG2 3.7Å; F133-T150 HydrophobicContact CE2-CG2 3.82Å; L136-T150 HydrophobicContact CB-CG2 4.17Å; N137-T150 VanDerWaalsContact OD1-CG2 3.31Å; N137-T150 WeakPolarHBondContact OD1-CG2 3.49Å; R146-T150 PolarHBondContact O-N 3.23Å; R146-T150 PolarHBondContact O-OG1 3.29Å; Y147-T150 PolarHBondContact O-N 3.48Å; T148-T150 PolarHBondContact O-N 3.24Å; T150-I153 PolarHBondContact O-N 3.03Å; T150-F154 PolarHBondContact O-N 2.59Å
151	Q	74.6	Confident	70.9	Confident	81 Å²	81	65.7 Å²	65.7	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-66.6	-35.8	172.6	-72.8	-69.2	4.1	0	0	112.4	Y147 T148 F154 T155	Y147-Q151 HydrophobicContact CD1-CG 4.26Å; Y147-Q151 HydrophobicContact CE1-CG 3.88Å; Y147-Q151 HydrophobicContact CE2-CG 4.32Å; Y147-Q151 WeakPolarHBondContact O-CG 3.26Å; Y147-Q151 PolarHBondContact O-N 2.97Å; Y147-Q151 PolarHBondContact OH-NE2 3.02Å; T148-Q151 PolarHBondContact O-N 3.23Å; Q151-F154 PolarHBondContact O-N 3.34Å; Q151-T155 VanDerWaalsContact O-CB 3.32Å; Q151-T155 WeakPolarHBondContact O-CB 3.42Å; Q151-T155 PolarHBondContact O-N 3.12Å; Q151-T155 PolarHBondContact O-OG1 3.18Å
152	S	82.8	Confident	72.8	Confident	40 Å²	40	67.5 Å²	67.5	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-50.6	173.3	-68.3	0	0	0	0	111.2	T148 S149 F154 T155 H156	T148-S152 WeakPolarHBondContact O-CB 3.46Å; T148-S152 PolarHBondContact O-N 3.1Å; T148-S152 PolarHBondContact O-OG 3.08Å; T148-S152 VanDerWaalsContact O-OG 3.08Å; S149-S152 PolarHBondContact O-N 3.01Å; S152-F154 VanDerWaalsContact C-N 3.29Å; S152-F154 PolarHBondContact O-N 3.16Å; S152-T155 PolarHBondContact O-N 2.86Å; S152-T155 VanDerWaalsContact O-N 3.08Å; S152-H156 WeakPolarHBondContact O-CB 3.4Å; S152-H156 PolarHBondContact O-CD2 3.47Å; S152-H156 VanDerWaalsContact O-CG 3.22Å; S152-H156 PolarHBondContact O-N 3.11Å
153	I	85.9	Confident	75.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-53.8	-46.1	176.6	-70.1	161.1	0	0	0	111.4	A129 L132 F133 L136 S149 T150 C157 L184 V187 I191	A129-I153 HydrophobicContact CB-CG2 4.1Å; L132-I153 HydrophobicContact CD2-CD1 3.82Å; L132-I153 HydrophobicContact CG-CD1 4.16Å; F133-I153 HydrophobicContact CB-CG2 4.07Å; L136-I153 HydrophobicContact CD1-CD1 3.71Å; S149-I153 WeakPolarHBondContact O-CG1 3.38Å; S149-I153 PolarHBondContact O-N 2.91Å; T150-I153 PolarHBondContact O-N 3.03Å; I153-C157 WeakPolarHBondContact O-CB 3.43Å; I153-C157 PolarHBondContact O-N 3.12Å; I153-C157 PolarHBondContact O-SG 2.82Å; I153-L184 HydrophobicContact CG1-CD2 4.5Å; I153-V187 HydrophobicContact CD1-CG1 4.19Å; I153-V187 HydrophobicContact CG1-CG1 3.91Å; I153-I191 HydrophobicContact CD1-CD1 3.91Å
154	F	83.7	Confident	77.2	Confident	105 Å²	105	59.6 Å²	59.6	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-45.2	177.2	-176.7	-101.2	0	0	0	112.2	F133 T150 Q151 S152 C157 K158	F133-F154 HydrophobicContact CD2-CB 4.29Å; F133-F154 HydrophobicContact CE1-CD2 4.26Å; F133-F154 HydrophobicContact CE2-CB 3.74Å; F133-F154 HydrophobicContact CE2-CD2 4.2Å; F133-F154 HydrophobicContact CE2-CG 4.31Å; F133-F154 HydrophobicContact CZ-CB 4.21Å; F133-F154 AromaticContact CZ-CD2 3.8Å; F133-F154 HydrophobicContact CZ-CD2 3.8Å; F133-F154 HydrophobicContact CZ-CG 4.29Å; T150-F154 PolarHBondContact O-N 2.59Å; Q151-F154 PolarHBondContact O-N 3.34Å; S152-F154 VanDerWaalsContact C-N 3.29Å; S152-F154 PolarHBondContact O-N 3.16Å; F154-C157 PolarHBondContact O-N 2.97Å; F154-K158 PolarHBondContact O-N 3.03Å
155	T	88.2	Confident	79.5	Confident	60 Å²	60	58.5 Å²	58.5	37%	0.368	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-44.1	178.8	-60.9	0	0	0	0	111.7	Q151 S152 C157 K158 N159	Q151-T155 VanDerWaalsContact O-CB 3.32Å; Q151-T155 WeakPolarHBondContact O-CB 3.42Å; Q151-T155 PolarHBondContact O-N 3.12Å; Q151-T155 PolarHBondContact O-OG1 3.18Å; S152-T155 PolarHBondContact O-N 2.86Å; S152-T155 VanDerWaalsContact O-N 3.08Å; T155-C157 PolarHBondContact O-N 3.25Å; T155-K158 WeakPolarHBondContact O-CB 3.24Å; T155-K158 PolarHBondContact O-N 3.34Å; T155-N159 WeakPolarHBondContact O-CB 3.3Å; T155-N159 PolarHBondContact O-N 3.5Å; T155-N159 PolarHBondContact O-OD1 2.73Å
156	H	90.9	Very high	81.5	Confident	19 Å²	19	60 Å²	60	9%	0.088	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-40.9	174.6	-62.7	-44.5	0	0	0	111.9	S152 K158 N159 L160 V180 Q183 L184	S152-H156 WeakPolarHBondContact O-CB 3.4Å; S152-H156 PolarHBondContact O-CD2 3.47Å; S152-H156 VanDerWaalsContact O-CG 3.22Å; S152-H156 PolarHBondContact O-N 3.11Å; H156-K158 VanDerWaalsContact C-N 3.32Å; H156-K158 PolarHBondContact O-N 3Å; H156-N159 PolarHBondContact O-N 3.1Å; H156-L160 WeakPolarHBondContact O-CG 3.13Å; H156-L160 PolarHBondContact O-N 2.95Å; H156-V180 HydrophobicContact CB-CG1 3.57Å; H156-Q183 VanDerWaalsContact CE1-CB 3.44Å; H156-Q183 WeakPolarHBondContact CE1-CB 3.11Å; H156-Q183 PolarHBondContact CE1-OE1 3.47Å; H156-Q183 PolarHBondContact ND1-OE1 3.44Å; H156-L184 HydrophobicContact CB-CD1 4.19Å; H156-L184 HydrophobicContact CB-CD2 3.69Å; H156-L184 HydrophobicContact CB-CG 3.78Å
157	C	89.7	Confident	83.1	Confident	21 Å²	21	66.6 Å²	66.6	14%	0.142	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-33.8	175.1	-69.9	0	0	0	0	113.2	A129 I153 F154 T155 R161	A129-C157 WeakPolarHBondContact CB-SG 3.5Å; I153-C157 WeakPolarHBondContact O-CB 3.43Å; I153-C157 PolarHBondContact O-N 3.12Å; I153-C157 PolarHBondContact O-SG 2.82Å; F154-C157 PolarHBondContact O-N 2.97Å; T155-C157 PolarHBondContact O-N 3.25Å; C157-R161 PolarHBondContact O-N 2.93Å
158	K	88.7	Confident	84.8	Confident	115 Å²	115	60.5 Å²	60.5	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-48.5	171.3	-178	-176.8	173.5	-172.3	0	110.8	F154 T155 H156 L160 R161 D162	F154-K158 PolarHBondContact O-N 3.03Å; T155-K158 WeakPolarHBondContact O-CB 3.24Å; T155-K158 PolarHBondContact O-N 3.34Å; H156-K158 VanDerWaalsContact C-N 3.32Å; H156-K158 PolarHBondContact O-N 3Å; K158-L160 VanDerWaalsContact C-N 3.34Å; K158-L160 PolarHBondContact O-N 3.24Å; K158-R161 WeakPolarHBondContact O-CA 3.49Å; K158-R161 VanDerWaalsContact O-CB 3.29Å; K158-R161 WeakPolarHBondContact O-CB 3.49Å; K158-R161 PolarHBondContact O-N 2.98Å; K158-D162 PolarHBondContact O-N 3.24Å
159	N	91.7	Very high	86.3	Confident	60 Å²	60	59.5 Å²	59.5	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-44.5	177.8	-66.5	-8.3	0	0	0	111.6	T155 H156 R161 D162 I163 V180	T155-N159 WeakPolarHBondContact O-CB 3.3Å; T155-N159 PolarHBondContact O-N 3.5Å; T155-N159 PolarHBondContact O-OD1 2.73Å; H156-N159 PolarHBondContact O-N 3.1Å; N159-R161 VanDerWaalsContact C-N 3.31Å; N159-R161 PolarHBondContact O-N 3.3Å; N159-D162 PolarHBondContact O-N 3.42Å; N159-D162 VanDerWaalsContact O-N 3.14Å; N159-I163 WeakPolarHBondContact O-CB 3.46Å; N159-I163 VanDerWaalsContact O-CD1 3.29Å; N159-I163 WeakPolarHBondContact O-CD1 3.29Å; N159-I163 WeakPolarHBondContact O-CG1 3.29Å; N159-I163 PolarHBondContact O-N 3.47Å; N159-V180 HydrophobicContact CB-CG2 4.18Å
160	L	91.7	Very high	87.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-41.6	174.1	-77	168.8	0	0	0	112.8	L125 I126 H156 K158 V164 I177 V180 L184	L125-L160 HydrophobicContact CD2-CD1 3.64Å; L125-L160 HydrophobicContact CD2-CD2 4.48Å; L125-L160 HydrophobicContact CG-CD1 4.16Å; I126-L160 HydrophobicContact CD1-CB 4.35Å; I126-L160 HydrophobicContact CG1-CD1 4.3Å; H156-L160 WeakPolarHBondContact O-CG 3.13Å; H156-L160 PolarHBondContact O-N 2.95Å; K158-L160 VanDerWaalsContact C-N 3.34Å; K158-L160 PolarHBondContact O-N 3.24Å; L160-V164 WeakPolarHBondContact O-CG2 3.3Å; L160-V164 PolarHBondContact O-N 3.09Å; L160-I177 HydrophobicContact CD2-CB 4.44Å; L160-I177 HydrophobicContact CD2-CG1 4.11Å; L160-I177 HydrophobicContact CD2-CG2 4.26Å; L160-V180 HydrophobicContact CD1-CG1 4.25Å; L160-V180 HydrophobicContact CD2-CB 4.15Å; L160-V180 HydrophobicContact CD2-CG1 4.21Å; L160-V180 HydrophobicContact CG-CB 4.27Å; L160-V180 HydrophobicContact CG-CG1 3.8Å; L160-L184 HydrophobicContact CD1-CD1 3.96Å
161	R	89.1	Confident	88.5	Confident	130 Å²	130	61.8 Å²	61.8	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-47.8	174.7	-177.4	-167.9	-55.6	-166.5	3	110.6	C157 K158 N159 V164 H165	C157-R161 PolarHBondContact O-N 2.93Å; K158-R161 WeakPolarHBondContact O-CA 3.49Å; K158-R161 VanDerWaalsContact O-CB 3.29Å; K158-R161 WeakPolarHBondContact O-CB 3.49Å; K158-R161 PolarHBondContact O-N 2.98Å; N159-R161 VanDerWaalsContact C-N 3.31Å; N159-R161 PolarHBondContact O-N 3.3Å; R161-V164 PolarHBondContact O-N 3.35Å; R161-H165 PolarHBondContact O-N 3.4Å; R161-H165 PolarHBondContact O-ND1 2.91Å
162	D	91.1	Very high	89.3	Confident	84 Å²	84	61 Å²	61	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-70.1	-37.8	-174	-61.9	-14.3	0	0	0	111	K158 N159 V164 H165 K166	K158-D162 PolarHBondContact O-N 3.24Å; N159-D162 PolarHBondContact O-N 3.42Å; N159-D162 VanDerWaalsContact O-N 3.14Å; D162-V164 PolarHBondContact O-N 3Å; D162-H165 PolarHBondContact O-N 3.07Å; D162-K166 PolarHBondContact O-N 3.2Å
163	I	91.6	Very high	89.8	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.082	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-41.3	173.3	-67	157.4	0	0	0	112.2	N159 H165 K166 K173 D176 I177 V180	N159-I163 WeakPolarHBondContact O-CB 3.46Å; N159-I163 VanDerWaalsContact O-CD1 3.29Å; N159-I163 WeakPolarHBondContact O-CD1 3.29Å; N159-I163 WeakPolarHBondContact O-CG1 3.29Å; N159-I163 PolarHBondContact O-N 3.47Å; I163-H165 VanDerWaalsContact C-N 3.29Å; I163-H165 PolarHBondContact O-N 3.21Å; I163-K166 WeakPolarHBondContact O-CB 3.49Å; I163-K166 PolarHBondContact O-N 2.84Å; I163-K173 HydrophobicContact CG2-CB 4.14Å; I163-K173 HydrophobicContact CG2-CG 4.45Å; I163-K173 WeakPolarHBondContact CG2-O 3.36Å; I163-D176 HydrophobicContact CB-CB 4.46Å; I163-D176 HydrophobicContact CD1-CB 3.73Å; I163-D176 HydrophobicContact CG1-CB 3.85Å; I163-D176 HydrophobicContact CG2-CB 3.7Å; I163-I177 HydrophobicContact CG2-CD1 4.43Å; I163-I177 HydrophobicContact CG2-CG1 3.93Å; I163-V180 HydrophobicContact CD1-CG2 3.76Å
164	V	90.7	Very high	90.1	Very high	32 Å²	32	59.8 Å²	59.8	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-39.6	178.3	166.6	0	0	0	0	111.5	L114 L119 V122 L160 R161 D162 K173	L114-V164 HydrophobicContact CD1-CB 4.27Å; L114-V164 HydrophobicContact CD1-CG1 4.35Å; L114-V164 HydrophobicContact CD1-CG2 3.81Å; L119-V164 HydrophobicContact CD2-CG1 3.81Å; L119-V164 HydrophobicContact CD2-CG2 4.26Å; V122-V164 HydrophobicContact CG1-CG2 4.27Å; L160-V164 WeakPolarHBondContact O-CG2 3.3Å; L160-V164 PolarHBondContact O-N 3.09Å; R161-V164 PolarHBondContact O-N 3.35Å; D162-V164 PolarHBondContact O-N 3Å; V164-K173 PolarHBondContact O-NZ 3.01Å; V164-K173 VanDerWaalsContact O-NZ 3.1Å
165	H	87.8	Confident	90.6	Very high	130 Å²	130	59.4 Å²	59.4	60%	0.602	29%	0.29	S	S	*	.	H	α-helix	trans	-90.7	-11	-176.6	-59.6	81.6	0	0	0	114.1	R161 D162 I163	R161-H165 PolarHBondContact O-N 3.4Å; R161-H165 PolarHBondContact O-ND1 2.91Å; D162-H165 PolarHBondContact O-N 3.07Å; I163-H165 VanDerWaalsContact C-N 3.29Å; I163-H165 PolarHBondContact O-N 3.21Å
166	K	90.4	Very high	90.8	Very high	93 Å²	93	58.4 Å²	58.4	40%	0.404	28%	0.282	S	S	.	.	S	Bend	trans	-53	137.8	175.5	-175.4	176	174.5	177.1	0	111.7	D162 I163 S168 K173 D176	D162-K166 PolarHBondContact O-N 3.2Å; I163-K166 WeakPolarHBondContact O-CB 3.49Å; I163-K166 PolarHBondContact O-N 2.84Å; K166-S168 VanDerWaalsContact C-N 3.34Å; K166-S168 PolarHBondContact O-N 2.94Å; K166-K173 WeakPolarHBondContact O-CE 3.49Å; K166-K173 PolarHBondContact O-NZ 3.43Å; K166-D176 IonicContact NZ-OD2 3.14Å; K166-D176 PolarHBondContact NZ-OD2 3.2Å
167	D	85.6	Confident	91	Very high	173 Å²	173	57.5 Å²	57.5	93%	0.925	28%	0.278	S	S	*	.	S	Bend	trans	-83.3	80.3	173	-74.4	-51.4	0	0	0	110.7
168	S	91.4	Very high	91.2	Very high	25 Å²	25	57.9 Å²	57.9	18%	0.175	28%	0.279	C	S	.	.	S	Bend	trans	-144.2	169.7	176.8	66.8	0	0	0	0	111.7	K166 K173	K166-S168 VanDerWaalsContact C-N 3.34Å; K166-S168 PolarHBondContact O-N 2.94Å; S168-K173 WeakPolarHBondContact O-CE 3.37Å; S168-K173 WeakPolarHBondContact OG-CG 3.4Å
169	T	91.4	Very high	91.5	Very high	49 Å²	49	54.9 Å²	54.9	30%	0.301	27%	0.272	S	S	.	.			trans	-62.5	152.7	173.3	59.4	0	0	0	0	111.4	R109 A111 Y171 E172 K173	R109-T169 WeakPolarHBondContact O-CG2 3.49Å; A111-T169 CarbonylContact O-C 3.57Å; A111-T169 WeakPolarHBondContact O-CA 3.22Å; T169-Y171 VanDerWaalsContact C-N 3.26Å; T169-Y171 PolarHBondContact O-N 2.7Å; T169-E172 PolarHBondContact O-N 2.92Å; T169-K173 WeakPolarHBondContact O-CG 3.46Å; T169-K173 PolarHBondContact O-N 2.83Å; T169-K173 VanDerWaalsContact O-N 3.09Å
170	V	90.8	Very high	91.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-39.8	176.6	160.6	0	0	0	0	111.6	G108 A111 K113 L114 E172 K173 E174	G108-V170 PolarHBondContact O-N 2.82Å; A111-V170 HydrophobicContact CB-CB 4.3Å; A111-V170 HydrophobicContact CB-CG2 3.82Å; A111-V170 WeakPolarHBondContact O-CG2 3.31Å; A111-V170 PolarHBondContact O-N 3.11Å; K113-V170 VanDerWaalsContact C-CG2 3.45Å; K113-V170 WeakPolarHBondContact O-CG2 3.34Å; L114-V170 HydrophobicContact CD2-CG1 4.34Å; V170-E172 PolarHBondContact O-N 2.88Å; V170-K173 WeakPolarHBondContact O-CB 3.49Å; V170-K173 PolarHBondContact O-N 2.95Å; V170-E174 VanDerWaalsContact CG1-CD 3.49Å; V170-E174 HydrophobicContact CG1-CG 4.13Å; V170-E174 WeakPolarHBondContact CG1-OE1 3.27Å; V170-E174 VanDerWaalsContact O-CB 3.3Å; V170-E174 WeakPolarHBondContact O-CB 3.48Å; V170-E174 WeakPolarHBondContact O-CG 3.36Å; V170-E174 PolarHBondContact O-N 2.81Å
171	Y	90.8	Very high	91.8	Very high	61 Å²	61	52.5 Å²	52.5	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43.9	177.9	-179.9	-97.5	0	0	0	113.1	W101 Y106 G108 T169 E174 K175	W101-Y171 HydrophobicContact CD2-CE2 4.18Å; W101-Y171 HydrophobicContact CE3-CE2 4.3Å; W101-Y171 HydrophobicContact CH2-CE2 4.12Å; W101-Y171 HydrophobicContact CZ2-CD2 4.14Å; W101-Y171 AromaticContact CZ2-CE2 3.98Å; W101-Y171 HydrophobicContact CZ2-CE2 3.98Å; W101-Y171 HydrophobicContact CZ3-CE2 4.28Å; Y106-Y171 HydrophobicContact CE1-CD2 4.1Å; Y106-Y171 VanDerWaalsContact OH-CA 3.26Å; Y106-Y171 WeakPolarHBondContact OH-CA 3.49Å; Y106-Y171 WeakPolarHBondContact OH-CB 3.49Å; G108-Y171 WeakPolarHBondContact O-CB 3.44Å; G108-Y171 PolarHBondContact O-N 2.88Å; T169-Y171 VanDerWaalsContact C-N 3.26Å; T169-Y171 PolarHBondContact O-N 2.7Å; Y171-E174 PolarHBondContact O-N 2.85Å; Y171-K175 VanDerWaalsContact O-CB 3.26Å; Y171-K175 WeakPolarHBondContact O-CB 3.14Å; Y171-K175 PolarHBondContact O-N 3.2Å
172	E	91	Very high	92.1	Very high	63 Å²	63	53.7 Å²	53.7	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-71.5	-35.3	176.7	-67.2	-62.5	133.2	0	0	111.6	T169 V170 K175 D176	T169-E172 PolarHBondContact O-N 2.92Å; V170-E172 PolarHBondContact O-N 2.88Å; E172-K175 PolarHBondContact O-N 3.49Å; E172-K175 IonicContact OE1-NZ 3.31Å; E172-K175 PolarHBondContact OE1-NZ 2.71Å; E172-K175 IonicContact OE2-NZ 2.7Å; E172-K175 PolarHBondContact OE2-NZ 3.06Å; E172-D176 WeakPolarHBondContact O-CB 3.17Å; E172-D176 VanDerWaalsContact O-CG 3.25Å; E172-D176 PolarHBondContact O-N 3.35Å
173	K	92.6	Very high	92.2	Very high	12 Å²	12	52.4 Å²	52.4	5%	0.052	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-44.3	171.9	-66.9	-177.8	179.8	-172.5	0	112.3	T112 L114 I163 V164 K166 S168 T169 V170 D176 I177	T112-K173 PolarHBondContact O-NZ 3.05Å; L114-K173 HydrophobicContact CD1-CB 4.34Å; L114-K173 HydrophobicContact CD1-CD 4.06Å; L114-K173 HydrophobicContact CD2-CB 3.95Å; L114-K173 HydrophobicContact CD2-CD 4.46Å; L114-K173 HydrophobicContact CG-CB 4.3Å; L114-K173 HydrophobicContact CG-CD 3.96Å; I163-K173 HydrophobicContact CG2-CB 4.14Å; I163-K173 HydrophobicContact CG2-CG 4.45Å; I163-K173 WeakPolarHBondContact CG2-O 3.36Å; V164-K173 PolarHBondContact O-NZ 3.01Å; V164-K173 VanDerWaalsContact O-NZ 3.1Å; K166-K173 WeakPolarHBondContact O-CE 3.49Å; K166-K173 PolarHBondContact O-NZ 3.43Å; S168-K173 WeakPolarHBondContact O-CE 3.37Å; S168-K173 WeakPolarHBondContact OG-CG 3.4Å; T169-K173 WeakPolarHBondContact O-CG 3.46Å; T169-K173 PolarHBondContact O-N 2.83Å; T169-K173 VanDerWaalsContact O-N 3.09Å; V170-K173 WeakPolarHBondContact O-CB 3.49Å; V170-K173 PolarHBondContact O-N 2.95Å; K173-D176 PolarHBondContact O-N 3.19Å; K173-I177 WeakPolarHBondContact O-CB 3.43Å; K173-I177 WeakPolarHBondContact O-CD1 3.35Å; K173-I177 WeakPolarHBondContact O-CG1 3.39Å; K173-I177 PolarHBondContact O-N 3.12Å
174	E	93.4	Very high	92.2	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-40.3	179.8	-81.2	176	168.3	0	0	111.9	I97 W101 Y106 L114 V170 Y171 I177 I178	I97-E174 HydrophobicContact CD1-CG 4.42Å; I97-E174 HydrophobicContact CG1-CG 4.45Å; I97-E174 HydrophobicContact CG2-CB 3.67Å; I97-E174 HydrophobicContact CG2-CG 3.93Å; W101-E174 HydrophobicContact CZ2-CB 4.08Å; W101-E174 PolarHBondContact NE1-OE2 2.84Å; Y106-E174 WeakPolarHBondContact CE2-OE2 3.42Å; Y106-E174 PolarHBondContact OH-OE2 2.75Å; L114-E174 HydrophobicContact CD2-CG 3.87Å; V170-E174 VanDerWaalsContact CG1-CD 3.49Å; V170-E174 HydrophobicContact CG1-CG 4.13Å; V170-E174 WeakPolarHBondContact CG1-OE1 3.27Å; V170-E174 VanDerWaalsContact O-CB 3.3Å; V170-E174 WeakPolarHBondContact O-CB 3.48Å; V170-E174 WeakPolarHBondContact O-CG 3.36Å; V170-E174 PolarHBondContact O-N 2.81Å; Y171-E174 PolarHBondContact O-N 2.85Å; E174-I177 PolarHBondContact O-N 3.13Å; E174-I178 VanDerWaalsContact O-CG1 3.25Å; E174-I178 WeakPolarHBondContact O-CG1 3.48Å; E174-I178 PolarHBondContact O-N 3.02Å
175	K	93.3	Very high	92.4	Very high	97 Å²	97	51.3 Å²	51.3	42%	0.422	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-44.4	171.8	171.7	-177.1	156.3	-152.5	0	112.3	Y171 E172 I178 S179	Y171-K175 VanDerWaalsContact O-CB 3.26Å; Y171-K175 WeakPolarHBondContact O-CB 3.14Å; Y171-K175 PolarHBondContact O-N 3.2Å; E172-K175 PolarHBondContact O-N 3.49Å; E172-K175 IonicContact OE1-NZ 3.31Å; E172-K175 PolarHBondContact OE1-NZ 2.71Å; E172-K175 IonicContact OE2-NZ 2.7Å; E172-K175 PolarHBondContact OE2-NZ 3.06Å; K175-I178 PolarHBondContact O-N 3Å; K175-S179 PolarHBondContact O-N 3.37Å
176	D	93.6	Very high	92.6	Very high	39 Å²	39	49.5 Å²	49.5	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-41.8	174.5	-73.2	-18	0	0	0	111.4	I163 K166 E172 K173 S179 V180	I163-D176 HydrophobicContact CB-CB 4.46Å; I163-D176 HydrophobicContact CD1-CB 3.73Å; I163-D176 HydrophobicContact CG1-CB 3.85Å; I163-D176 HydrophobicContact CG2-CB 3.7Å; K166-D176 IonicContact NZ-OD2 3.14Å; K166-D176 PolarHBondContact NZ-OD2 3.2Å; E172-D176 WeakPolarHBondContact O-CB 3.17Å; E172-D176 VanDerWaalsContact O-CG 3.25Å; E172-D176 PolarHBondContact O-N 3.35Å; K173-D176 PolarHBondContact O-N 3.19Å; D176-S179 WeakPolarHBondContact O-CB 3.26Å; D176-S179 PolarHBondContact O-N 2.83Å; D176-V180 PolarHBondContact O-N 2.64Å; D176-V180 VanDerWaalsContact O-N 3.09Å
177	I	94.1	Very high	92.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-46.3	173.7	-74.1	161.8	0	0	0	110.7	L93 I97 L114 V118 V122 L160 I163 K173 E174 S179 V180 C181	L93-I177 HydrophobicContact CD2-CG2 3.82Å; L93-I177 HydrophobicContact CG-CG2 4.21Å; I97-I177 HydrophobicContact CD1-CB 4.45Å; I97-I177 HydrophobicContact CD1-CG2 3.83Å; L114-I177 HydrophobicContact CD1-CD1 3.95Å; L114-I177 HydrophobicContact CD2-CD1 4.2Å; V118-I177 HydrophobicContact CG1-CD1 4.36Å; V122-I177 HydrophobicContact CG2-CD1 4.17Å; V122-I177 HydrophobicContact CG2-CG2 4.34Å; L160-I177 HydrophobicContact CD2-CB 4.44Å; L160-I177 HydrophobicContact CD2-CG1 4.11Å; L160-I177 HydrophobicContact CD2-CG2 4.26Å; I163-I177 HydrophobicContact CG2-CD1 4.43Å; I163-I177 HydrophobicContact CG2-CG1 3.93Å; K173-I177 WeakPolarHBondContact O-CB 3.43Å; K173-I177 WeakPolarHBondContact O-CD1 3.35Å; K173-I177 WeakPolarHBondContact O-CG1 3.39Å; K173-I177 PolarHBondContact O-N 3.12Å; E174-I177 PolarHBondContact O-N 3.13Å; I177-S179 VanDerWaalsContact C-N 3.28Å; I177-S179 PolarHBondContact O-N 3.11Å; I177-V180 PolarHBondContact O-N 3.46Å; I177-C181 WeakPolarHBondContact O-CB 3.31Å; I177-C181 PolarHBondContact O-N 3.22Å; I177-C181 PolarHBondContact O-SG 3.19Å
178	I	94.6	Very high	92.8	Very high	30 Å²	30	37.5 Å²	37.5	15%	0.154	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-42.3	176.2	-73.3	163.4	0	0	0	111.1	P94 I97 Q98 W101 E174 K175 C181 R182	P94-I178 HydrophobicContact CB-CG1 4.01Å; P94-I178 HydrophobicContact CB-CG2 4.32Å; P94-I178 HydrophobicContact CG-CG1 4.37Å; I97-I178 HydrophobicContact CB-CD1 4.28Å; I97-I178 HydrophobicContact CD1-CG1 4.28Å; I97-I178 HydrophobicContact CG2-CD1 3.68Å; I97-I178 HydrophobicContact CG2-CG1 4.33Å; Q98-I178 HydrophobicContact CG-CD1 4.09Å; W101-I178 HydrophobicContact CH2-CD1 3.62Å; W101-I178 HydrophobicContact CZ2-CD1 3.78Å; W101-I178 HydrophobicContact CZ3-CD1 4.35Å; E174-I178 VanDerWaalsContact O-CG1 3.25Å; E174-I178 WeakPolarHBondContact O-CG1 3.48Å; E174-I178 PolarHBondContact O-N 3.02Å; K175-I178 PolarHBondContact O-N 3Å; I178-C181 PolarHBondContact O-N 2.97Å; I178-R182 PolarHBondContact O-N 3.27Å
179	S	94.8	Very high	92.7	Very high	52 Å²	52	38.3 Å²	38.3	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-59.5	-49.2	177.7	-166.2	0	0	0	0	111.7	K175 D176 I177 C181 R182 Q183	K175-S179 PolarHBondContact O-N 3.37Å; D176-S179 WeakPolarHBondContact O-CB 3.26Å; D176-S179 PolarHBondContact O-N 2.83Å; I177-S179 VanDerWaalsContact C-N 3.28Å; I177-S179 PolarHBondContact O-N 3.11Å; S179-C181 PolarHBondContact O-N 3.36Å; S179-R182 PolarHBondContact O-N 2.92Å; S179-Q183 WeakPolarHBondContact O-CG 3.34Å; S179-Q183 PolarHBondContact O-N 3.01Å; S179-Q183 VanDerWaalsContact O-N 3.16Å
180	V	94.6	Very high	92.5	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-31.8	179.2	-176.1	0	0	0	0	112.2	H156 N159 L160 I163 D176 I177 R182 Q183 L184	H156-V180 HydrophobicContact CB-CG1 3.57Å; N159-V180 HydrophobicContact CB-CG2 4.18Å; L160-V180 HydrophobicContact CD1-CG1 4.25Å; L160-V180 HydrophobicContact CD2-CB 4.15Å; L160-V180 HydrophobicContact CD2-CG1 4.21Å; L160-V180 HydrophobicContact CG-CB 4.27Å; L160-V180 HydrophobicContact CG-CG1 3.8Å; I163-V180 HydrophobicContact CD1-CG2 3.76Å; D176-V180 PolarHBondContact O-N 2.64Å; D176-V180 VanDerWaalsContact O-N 3.09Å; I177-V180 PolarHBondContact O-N 3.46Å; V180-R182 VanDerWaalsContact C-N 3.32Å; V180-R182 PolarHBondContact O-N 2.79Å; V180-Q183 PolarHBondContact O-N 3.02Å; V180-L184 HydrophobicContact CG1-CD1 4.31Å; V180-L184 WeakPolarHBondContact O-CG 3.24Å; V180-L184 PolarHBondContact O-N 3.34Å
181	C	95.2	Very high	92.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-40.9	171.9	-69.4	0	0	0	0	111.7	A90 P94 I177 I178 S179 L184 V185	A90-C181 WeakPolarHBondContact O-CB 3.26Å; P94-C181 HydrophobicContact CG-CB 3.6Å; I177-C181 WeakPolarHBondContact O-CB 3.31Å; I177-C181 PolarHBondContact O-N 3.22Å; I177-C181 PolarHBondContact O-SG 3.19Å; I178-C181 PolarHBondContact O-N 2.97Å; S179-C181 PolarHBondContact O-N 3.36Å; C181-L184 PolarHBondContact O-N 3.25Å; C181-V185 WeakPolarHBondContact O-CG2 3.25Å; C181-V185 PolarHBondContact O-N 3.36Å; C181-V185 VanDerWaalsContact O-N 3.07Å
182	R	94.6	Very high	92	Very high	155 Å²	155	38.1 Å²	38.1	59%	0.585	18%	0.183	S	C	*	.	H	α-helix	trans	-64.7	-44.5	176.5	-155.4	-169.5	76.3	-150.9	-2.8	111.5	I178 S179 V180 L184 V185 E186	I178-R182 PolarHBondContact O-N 3.27Å; S179-R182 PolarHBondContact O-N 2.92Å; V180-R182 VanDerWaalsContact C-N 3.32Å; V180-R182 PolarHBondContact O-N 2.79Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 3.22Å; R182-V185 PolarHBondContact O-N 3.48Å; R182-V185 VanDerWaalsContact O-N 3.12Å; R182-E186 IonicContact CZ-OE1 3.1Å; R182-E186 IonicContact NE-OE1 2.68Å; R182-E186 PolarHBondContact NE-OE1 2.85Å; R182-E186 IonicContact NH2-OE1 2.7Å; R182-E186 PolarHBondContact NH2-OE1 2.94Å; R182-E186 VanDerWaalsContact NH2-OE1 3.14Å; R182-E186 WeakPolarHBondContact O-CG 3.36Å; R182-E186 PolarHBondContact O-N 3.1Å
183	Q	93.8	Very high	91.7	Very high	57 Å²	57	41.8 Å²	41.8	27%	0.266	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-39.8	175.1	-65.7	171.1	-13.5	0	0	112.4	H156 S179 V180 V185 E186 V187	H156-Q183 VanDerWaalsContact CE1-CB 3.44Å; H156-Q183 WeakPolarHBondContact CE1-CB 3.11Å; H156-Q183 PolarHBondContact CE1-OE1 3.47Å; H156-Q183 PolarHBondContact ND1-OE1 3.44Å; S179-Q183 WeakPolarHBondContact O-CG 3.34Å; S179-Q183 PolarHBondContact O-N 3.01Å; S179-Q183 VanDerWaalsContact O-N 3.16Å; V180-Q183 PolarHBondContact O-N 3.02Å; Q183-V185 VanDerWaalsContact C-N 3.35Å; Q183-V185 PolarHBondContact O-N 2.93Å; Q183-E186 WeakPolarHBondContact O-CB 3.39Å; Q183-E186 PolarHBondContact O-N 3.08Å; Q183-V187 WeakPolarHBondContact O-CG2 3.42Å; Q183-V187 PolarHBondContact O-N 2.81Å
184	L	92.5	Very high	91.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-34.4	174.6	-77.8	167.6	0	0	0	112.8	A90 L125 I153 H156 L160 V180 C181 R182 C188	A90-L184 HydrophobicContact CB-CB 4.24Å; L125-L184 HydrophobicContact CD1-CD1 4.14Å; L125-L184 HydrophobicContact CD2-CD1 4.14Å; L125-L184 HydrophobicContact CG-CD1 4.21Å; I153-L184 HydrophobicContact CG1-CD2 4.5Å; H156-L184 HydrophobicContact CB-CD1 4.19Å; H156-L184 HydrophobicContact CB-CD2 3.69Å; H156-L184 HydrophobicContact CB-CG 3.78Å; L160-L184 HydrophobicContact CD1-CD1 3.96Å; V180-L184 HydrophobicContact CG1-CD1 4.31Å; V180-L184 WeakPolarHBondContact O-CG 3.24Å; V180-L184 PolarHBondContact O-N 3.34Å; C181-L184 PolarHBondContact O-N 3.25Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 3.22Å; L184-C188 PolarHBondContact O-N 3.08Å; L184-C188 PolarHBondContact O-SG 3.31Å
185	V	94	Very high	90.3	Very high	26 Å²	26	43.8 Å²	43.8	16%	0.158	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-43.2	171.5	173.6	0	0	0	0	111.1	R87 A90 H91 C181 R182 Q183 V187 C188 D189	R87-V185 HydrophobicContact CG-CG1 4.32Å; A90-V185 HydrophobicContact CB-CG2 3.67Å; H91-V185 HydrophobicContact CB-CG2 4.49Å; C181-V185 WeakPolarHBondContact O-CG2 3.25Å; C181-V185 PolarHBondContact O-N 3.36Å; C181-V185 VanDerWaalsContact O-N 3.07Å; R182-V185 PolarHBondContact O-N 3.48Å; R182-V185 VanDerWaalsContact O-N 3.12Å; Q183-V185 VanDerWaalsContact C-N 3.35Å; Q183-V185 PolarHBondContact O-N 2.93Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 2.93Å; V185-C188 WeakPolarHBondContact O-CB 3.17Å; V185-C188 PolarHBondContact O-N 3.43Å; V185-C188 VanDerWaalsContact O-N 3.13Å; V185-D189 PolarHBondContact O-N 3.5Å
186	E	91.8	Very high	89.5	Confident	92 Å²	92	42.1 Å²	42.1	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-55.6	-43.7	175.4	-69.2	159.5	-165.1	0	0	111.1	R182 Q183 D189 E190	R182-E186 IonicContact CZ-OE1 3.1Å; R182-E186 IonicContact NE-OE1 2.68Å; R182-E186 PolarHBondContact NE-OE1 2.85Å; R182-E186 IonicContact NH2-OE1 2.7Å; R182-E186 PolarHBondContact NH2-OE1 2.94Å; R182-E186 VanDerWaalsContact NH2-OE1 3.14Å; R182-E186 WeakPolarHBondContact O-CG 3.36Å; R182-E186 PolarHBondContact O-N 3.1Å; Q183-E186 WeakPolarHBondContact O-CB 3.39Å; Q183-E186 PolarHBondContact O-N 3.08Å; E186-D189 PolarHBondContact O-N 2.95Å; E186-E190 PolarHBondContact O-N 3.4Å
187	V	89.6	Confident	88.6	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-71.9	-34.1	175.9	178	0	0	0	0	113	I153 Q183 V185 D189 E190 I191	I153-V187 HydrophobicContact CD1-CG1 4.19Å; I153-V187 HydrophobicContact CG1-CG1 3.91Å; Q183-V187 WeakPolarHBondContact O-CG2 3.42Å; Q183-V187 PolarHBondContact O-N 2.81Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 2.93Å; V187-D189 VanDerWaalsContact C-N 3.3Å; V187-D189 PolarHBondContact O-N 3.48Å; V187-E190 PolarHBondContact O-N 2.83Å; V187-I191 HydrophobicContact CG1-CD1 4.02Å; V187-I191 WeakPolarHBondContact O-CD1 3.32Å; V187-I191 VanDerWaalsContact O-CG1 3.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.46Å; V187-I191 PolarHBondContact O-N 2.79Å
188	C	90	Very high	87.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-40.1	172	-70.1	0	0	0	0	111.5	T83 R87 L184 V185 I191 L192	T83-C188 HydrophobicContact CG2-CB 3.76Å; T83-C188 WeakPolarHBondContact CG2-O 3.5Å; R87-C188 HydrophobicContact CB-CB 3.93Å; R87-C188 HydrophobicContact CG-CB 4.13Å; L184-C188 PolarHBondContact O-N 3.08Å; L184-C188 PolarHBondContact O-SG 3.31Å; V185-C188 WeakPolarHBondContact O-CB 3.17Å; V185-C188 PolarHBondContact O-N 3.43Å; V185-C188 VanDerWaalsContact O-N 3.13Å; C188-I191 PolarHBondContact O-N 2.99Å; C188-L192 WeakPolarHBondContact O-CG 3.42Å; C188-L192 PolarHBondContact O-N 3.43Å
189	D	89.7	Confident	86.2	Confident	41 Å²	41	47 Å²	47	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-73.2	-34.6	179.8	-71.9	11	0	0	0	111.1	R87 V185 E186 V187 N193	R87-D189 IonicContact CZ-OD1 2.64Å; R87-D189 IonicContact CZ-OD2 3.79Å; R87-D189 IonicContact NE-OD1 2.69Å; R87-D189 PolarHBondContact NE-OD1 2.92Å; R87-D189 IonicContact NE-OD2 3.71Å; R87-D189 IonicContact NH2-OD1 3.97Å; R87-D189 PolarHBondContact NH2-OD1 3.16Å; R87-D189 IonicContact NH2-OD2 3.29Å; R87-D189 PolarHBondContact NH2-OD2 3.48Å; V185-D189 PolarHBondContact O-N 3.5Å; E186-D189 PolarHBondContact O-N 2.95Å; V187-D189 VanDerWaalsContact C-N 3.3Å; V187-D189 PolarHBondContact O-N 3.48Å; D189-N193 VanDerWaalsContact O-CB 3.28Å; D189-N193 WeakPolarHBondContact O-CB 3.34Å; D189-N193 VanDerWaalsContact O-CG 3.29Å; D189-N193 PolarHBondContact O-N 3.4Å; D189-N193 PolarHBondContact O-ND2 3.5Å
190	E	88.1	Confident	85.2	Confident	81 Å²	81	44.7 Å²	44.7	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-48.3	167.4	-177.6	-174.7	-130.1	0	0	111.4	S149 E186 V187 N193 S194	S149-E190 WeakPolarHBondContact CB-OE2 3.45Å; S149-E190 PolarHBondContact OG-OE2 3.41Å; E186-E190 PolarHBondContact O-N 3.4Å; V187-E190 PolarHBondContact O-N 2.83Å; E190-N193 PolarHBondContact O-N 2.86Å; E190-S194 WeakPolarHBondContact O-CB 3.35Å; E190-S194 PolarHBondContact O-N 3.09Å; E190-S194 PolarHBondContact O-OG 2.86Å
191	I	84.6	Confident	84.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-43.8	-179.7	-69.4	162.9	0	0	0	111.5	L79 T83 L132 L136 I153 V187 C188 S195	L79-I191 HydrophobicContact CD1-CG2 4.3Å; T83-I191 HydrophobicContact CG2-CB 4.12Å; T83-I191 HydrophobicContact CG2-CG2 4Å; L132-I191 HydrophobicContact CD2-CD1 4.03Å; L136-I191 HydrophobicContact CD1-CD1 3.95Å; I153-I191 HydrophobicContact CD1-CD1 3.91Å; V187-I191 HydrophobicContact CG1-CD1 4.02Å; V187-I191 WeakPolarHBondContact O-CD1 3.32Å; V187-I191 VanDerWaalsContact O-CG1 3.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.46Å; V187-I191 PolarHBondContact O-N 2.79Å; C188-I191 PolarHBondContact O-N 2.99Å; I191-S195 WeakPolarHBondContact O-CB 3.5Å; I191-S195 PolarHBondContact O-N 3.48Å; I191-S195 PolarHBondContact O-OG 2.83Å
192	L	86.4	Confident	83	Confident	26 Å²	26	50.8 Å²	50.8	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-36.3	179.9	-71.5	172	0	0	0	112.9	T83 E84 C188 L200	T83-L192 HydrophobicContact CG2-CD1 4.23Å; T83-L192 HydrophobicContact CG2-CD2 4.16Å; T83-L192 HydrophobicContact CG2-CG 3.78Å; E84-L192 HydrophobicContact CG-CD1 4.14Å; E84-L192 HydrophobicContact CG-CD2 4.28Å; C188-L192 WeakPolarHBondContact O-CG 3.42Å; C188-L192 PolarHBondContact O-N 3.43Å; L192-L200 HydrophobicContact CD2-CD2 4.02Å
193	N	84.9	Confident	81.7	Confident	139 Å²	139	45.5 Å²	45.5	74%	0.743	26%	0.255	S	S	*	.	H	α-helix	trans	-85.7	-27.3	-179.3	-67.7	-53.2	0	0	0	113.4	D189 E190	D189-N193 VanDerWaalsContact O-CB 3.28Å; D189-N193 WeakPolarHBondContact O-CB 3.34Å; D189-N193 VanDerWaalsContact O-CG 3.29Å; D189-N193 PolarHBondContact O-N 3.4Å; D189-N193 PolarHBondContact O-ND2 3.5Å; E190-N193 PolarHBondContact O-N 2.86Å
194	S	78.6	Confident	80.5	Confident	45 Å²	45	43.7 Å²	43.7	32%	0.315	25%	0.25	S	S	.	.	H	α-helix	trans	-88.4	-15.6	180	68.7	0	0	0	0	114.3	R146 E190	R146-S194 PolarHBondContact NH2-O 3.02Å; E190-S194 WeakPolarHBondContact O-CB 3.35Å; E190-S194 PolarHBondContact O-N 3.09Å; E190-S194 PolarHBondContact O-OG 2.86Å
195	S	77.7	Confident	79.5	Confident	14 Å²	14	48 Å²	48	10%	0.098	27%	0.271	C	S	.	.	S	Bend	trans	-92.6	143.4	-177.3	-59.2	0	0	0	0	111.7	I191	I191-S195 WeakPolarHBondContact O-CB 3.5Å; I191-S195 PolarHBondContact O-N 3.48Å; I191-S195 PolarHBondContact O-OG 2.83Å
196	S	75.4	Confident	78.9	Confident	63 Å²	63	49.8 Å²	49.8	44%	0.441	28%	0.279	S	S	.	.			trans	-69.4	148.7	171.9	62.5	0	0	0	0	110.6	A198 L199 L200	S196-A198 PolarHBondContact O-N 2.93Å; S196-A198 VanDerWaalsContact O-N 3.12Å; S196-L199 PolarHBondContact O-N 3.38Å; S196-L199 WeakPolarHBondContact OG-CG 3.19Å; S196-L200 PolarHBondContact O-N 2.9Å
197	D	74.9	Confident	78.4	Confident	94 Å²	94	47.9 Å²	47.9	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-25.8	-178	-168.1	54.2	0	0	0	112.7	R80 L200 T201	R80-D197 IonicContact CZ-OD1 3.77Å; R80-D197 IonicContact NE-OD1 2.62Å; R80-D197 IonicContact NH2-OD1 2.63Å; R80-D197 PolarHBondContact NH2-OD1 3.29Å; D197-L200 PolarHBondContact O-N 2.64Å; D197-T201 WeakPolarHBondContact O-CB 3.11Å; D197-T201 VanDerWaalsContact O-CG2 3.29Å; D197-T201 WeakPolarHBondContact O-CG2 3.49Å; D197-T201 PolarHBondContact O-N 2.79Å; D197-T201 PolarHBondContact O-OG1 2.84Å
198	A	67.3	Low	78.1	Confident	52 Å²	52	50.8 Å²	50.8	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-58	-58.3	166.9	0	0	0	0	0	111.8	S196 L200 T201 H202	S196-A198 PolarHBondContact O-N 2.93Å; S196-A198 VanDerWaalsContact O-N 3.12Å; A198-L200 PolarHBondContact O-N 3.46Å; A198-T201 PolarHBondContact O-N 3.23Å; A198-T201 VanDerWaalsContact O-N 3.1Å; A198-T201 PolarHBondContact O-OG1 3.43Å; A198-H202 PolarHBondContact O-N 3.37Å; A198-H202 PolarHBondContact O-ND1 3.07Å
199	L	71.9	Confident	77.7	Confident	24 Å²	24	50.8 Å²	50.8	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-32.2	178.9	-71.4	172.1	0	0	0	112.7	L79 S196	L79-L199 WeakPolarHBondContact CB-O 3.16Å; S196-L199 PolarHBondContact O-N 3.38Å; S196-L199 WeakPolarHBondContact OG-CG 3.19Å
200	L	74.5	Confident	77.2	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-71.4	-38.5	177.2	-70.4	177.5	0	0	0	113	L79 R80 L192 S196 D197 A198	L79-L200 HydrophobicContact CD2-CD2 4.14Å; L79-L200 HydrophobicContact CG-CD2 4.12Å; R80-L200 HydrophobicContact CB-CB 4.14Å; R80-L200 WeakPolarHBondContact CB-O 3.5Å; R80-L200 PolarHBondContact N-O 2.77Å; L192-L200 HydrophobicContact CD2-CD2 4.02Å; S196-L200 PolarHBondContact O-N 2.9Å; D197-L200 PolarHBondContact O-N 2.64Å; A198-L200 PolarHBondContact O-N 3.46Å
201	T	73.3	Confident	76.8	Confident	63 Å²	63	47.9 Å²	47.9	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-93.7	-22.7	-172.3	52.6	0	0	0	0	115.1	T78 D197 A198	T78-T201 VanDerWaalsContact CG2-O 3.31Å; T78-T201 WeakPolarHBondContact CG2-O 3.4Å; D197-T201 WeakPolarHBondContact O-CB 3.11Å; D197-T201 VanDerWaalsContact O-CG2 3.29Å; D197-T201 WeakPolarHBondContact O-CG2 3.49Å; D197-T201 PolarHBondContact O-N 2.79Å; D197-T201 PolarHBondContact O-OG1 2.84Å; A198-T201 PolarHBondContact O-N 3.23Å; A198-T201 VanDerWaalsContact O-N 3.1Å; A198-T201 PolarHBondContact O-OG1 3.43Å
202	H	68.6	Low	76.1	Confident	73 Å²	73	51.9 Å²	51.9	34%	0.338	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-75.4	141.7	-175.4	-72.9	57.2	0	0	0	112.5	A198 P290	A198-H202 PolarHBondContact O-N 3.37Å; A198-H202 PolarHBondContact O-ND1 3.07Å; H202-P290 HydrophobicContact CB-CB 4.29Å; H202-P290 HydrophobicContact CB-CG 4.45Å
203	T	68.4	Low	75.1	Confident	44 Å²	44	51.5 Å²	51.5	27%	0.27	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-94.7	164.6	171.3	50.4	0	0	0	0	111.1	T78 P290	T78-T203 HydrophobicContact CG2-CG2 3.62Å; T203-P290 WeakPolarHBondContact O-CD 3.46Å
204	A	69	Low	73.9	Confident	20 Å²	20	48.8 Å²	48.8	17%	0.165	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61	138.8	166.9	0	0	0	0	0	110.9	K287 I289	A204-K287 HydrophobicContact CB-CG 4.08Å; A204-I289 HydrophobicContact CB-CD1 4.46Å; A204-I289 HydrophobicContact CB-CG1 3.95Å
205	Q	71.6	Confident	72.8	Confident	91 Å²	91	49.4 Å²	49.4	43%	0.425	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.3	-179.5	-67.7	-178.9	-8.3	0	0	110.1	K287 R288 P290	Q205-K287 WeakPolarHBondContact O-CA 3.39Å; Q205-R288 PolarHBondContact N-O 2.96Å; Q205-R288 PolarHBondContact O-N 2.69Å; Q205-P290 HydrophobicContact CG-CG 4.09Å
206	L	80.4	Confident	71.6	Confident	62 Å²	62	54 Å²	54	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.3	169.3	-60.8	-179.3	0	0	0	109	M1 M74 I256 I285 I286 K287	M1-L206 HydrophobicContact CB-CD1 4.26Å; M1-L206 HydrophobicContact CE-CD1 3.85Å; M1-L206 HydrophobicContact SD-CD1 3.63Å; M74-L206 HydrophobicContact CE-CD1 4.47Å; M74-L206 HydrophobicContact CE-CD2 3.84Å; M74-L206 HydrophobicContact CE-CG 3.72Å; M74-L206 HydrophobicContact SD-CD2 4.09Å; M74-L206 HydrophobicContact SD-CG 4.49Å; L206-I256 HydrophobicContact CD2-CG1 4.14Å; L206-I285 HydrophobicContact CB-CG2 3.73Å; L206-I285 HydrophobicContact CD1-CG2 4.28Å; L206-I285 HydrophobicContact CD2-CG2 4.12Å; L206-I285 HydrophobicContact CG-CG2 4.25Å; L206-I286 WeakPolarHBondContact CA-O 3.46Å; L206-K287 HydrophobicContact CD2-CB 3.88Å; L206-K287 HydrophobicContact CD2-CG 4.4Å
207	E	80.5	Confident	70.4	Confident	53 Å²	53	55.7 Å²	55.7	25%	0.248	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.3	162.4	179.1	165.6	-97.1	0	0	109.8	V209 I285 I286 R288	E207-V209 HydrophobicContact CG-CG2 3.95Å; E207-I285 VanDerWaalsContact O-CA 3.3Å; E207-I285 WeakPolarHBondContact O-CA 3.37Å; E207-I285 WeakPolarHBondContact O-CG2 3.49Å; E207-I286 HydrophobicContact CB-CG1 4.42Å; E207-I286 PolarHBondContact N-O 3.45Å; E207-I286 VanDerWaalsContact N-O 3.08Å; E207-I286 PolarHBondContact O-N 2.92Å; E207-R288 IonicContact OE1-CZ 3.23Å; E207-R288 IonicContact OE1-NH1 2.7Å; E207-R288 PolarHBondContact OE1-NH1 3.07Å; E207-R288 IonicContact OE1-NH2 3.7Å; E207-R288 IonicContact OE2-CZ 2.59Å; E207-R288 VanDerWaalsContact OE2-CZ 3.27Å; E207-R288 IonicContact OE2-NH1 2.81Å; E207-R288 PolarHBondContact OE2-NH1 3.38Å; E207-R288 VanDerWaalsContact OE2-NH1 3.1Å; E207-R288 IonicContact OE2-NH2 3.94Å; E207-R288 PolarHBondContact OE2-NH2 3.21Å
208	S	83.3	Confident	69.7	Low	74 Å²	74	54.9 Å²	54.9	52%	0.517	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.9	167.6	-166.1	0	0	0	0	108.7	T283 L284	S208-T283 WeakPolarHBondContact OG-CG2 3.23Å; S208-L284 CarbonylContact C-O 3.6Å; S208-L284 VanDerWaalsContact CA-O 3.31Å; S208-L284 WeakPolarHBondContact CA-O 3.22Å
209	V	82.4	Confident	69.4	Low	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.1	176.2	-174	0	0	0	0	108.4	E207 L211 Q248 V249 L284 I286	E207-V209 HydrophobicContact CG-CG2 3.95Å; V209-L211 HydrophobicContact CG1-CD2 3.74Å; V209-L211 HydrophobicContact CG1-CG 4.49Å; V209-Q248 HydrophobicContact CG1-CB 4.24Å; V209-Q248 HydrophobicContact CG2-CB 4.24Å; V209-V249 HydrophobicContact CB-CG2 4.34Å; V209-V249 HydrophobicContact CG1-CG2 3.87Å; V209-V249 HydrophobicContact CG2-CG2 4.4Å; V209-L284 PolarHBondContact N-O 3.47Å; V209-L284 PolarHBondContact O-N 2.66Å; V209-I286 HydrophobicContact CG2-CD1 3.84Å; V209-I286 HydrophobicContact CG2-CG1 4.16Å
210	S	80.3	Confident	69	Low	62 Å²	62	58 Å²	58	43%	0.434	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.2	174.7	-171.7	0	0	0	0	109.7	A245	S210-A245 WeakPolarHBondContact O-CB 3.47Å
211	L	78	Confident	68.5	Low	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.4	179	-56.1	-176.1	0	0	0	108.7	V209 L220 I222 A245 Y246 V249 G281 V282 L284	V209-L211 HydrophobicContact CG1-CD2 3.74Å; V209-L211 HydrophobicContact CG1-CG 4.49Å; L211-L220 HydrophobicContact CB-CD2 4.36Å; L211-I222 HydrophobicContact CD1-CD1 3.69Å; L211-I222 HydrophobicContact CD1-CG1 4.27Å; L211-I222 HydrophobicContact CD1-CG2 4.05Å; L211-A245 HydrophobicContact CD2-CB 4.43Å; L211-Y246 HydrophobicContact CB-CE1 3.99Å; L211-Y246 HydrophobicContact CD1-CE1 4.23Å; L211-Y246 HydrophobicContact CD2-CD1 3.83Å; L211-Y246 HydrophobicContact CD2-CE1 3.74Å; L211-Y246 HydrophobicContact CG-CE1 4.19Å; L211-V249 HydrophobicContact CD2-CG2 4.08Å; L211-G281 CarbonylContact O-C 3.53Å; L211-G281 WeakPolarHBondContact O-CA 3.42Å; L211-V282 PolarHBondContact N-O 2.68Å; L211-V282 PolarHBondContact O-N 2.7Å; L211-L284 HydrophobicContact CD1-CD1 3.68Å; L211-L284 HydrophobicContact CD1-CG 4.37Å; L211-L284 HydrophobicContact CG-CD1 4.46Å
212	V	71.4	Confident	68.5	Low	86 Å²	86	57 Å²	57	52%	0.521	34%	0.343	S	S	.	.			trans	-110.1	117	178.9	-176.9	0	0	0	0	108	Y246	V212-Y246 VanDerWaalsContact C-OH 3.24Å; V212-Y246 PolarHBondContact O-OH 2.84Å
213	P	64.9	Low	68.9	Low	17 Å²	17	56.3 Å²	56.3	11%	0.11	34%	0.34	C	S	.	.			trans	-59.5	144.6	169.6	-24.2	35.1	0	0	0	111.2	T215 D218 L220	P213-T215 VanDerWaalsContact C-N 3.33Å; P213-T215 WeakPolarHBondContact CB-O 3.47Å; P213-D218 HydrophobicContact CB-CB 4.41Å; P213-L220 HydrophobicContact CG-CD2 3.86Å
214	A	58.8	Low	69.5	Low	82 Å²	82	55 Å²	55	68%	0.678	33%	0.332	S	S	*	.	S	Bend	trans	-68.3	-36.4	176.5	0	0	0	0	0	111.4
215	T	56.2	Low	69.9	Low	58 Å²	58	56.8 Å²	56.8	36%	0.356	34%	0.34	S	S	.	.	S	Bend	trans	-130.1	156.2	165.7	70.4	0	0	0	0	110.4	P213 S217 D218	P213-T215 VanDerWaalsContact C-N 3.33Å; P213-T215 WeakPolarHBondContact CB-O 3.47Å; T215-S217 PolarHBondContact O-N 2.71Å; T215-S217 PolarHBondContact OG1-OG 3.28Å; T215-D218 WeakPolarHBondContact CA-OD2 3.48Å; T215-D218 WeakPolarHBondContact CB-OD2 3.39Å; T215-D218 PolarHBondContact N-OD2 3.27Å; T215-D218 PolarHBondContact O-N 2.9Å; T215-D218 PolarHBondContact OG1-N 3.02Å; T215-D218 PolarHBondContact OG1-OD2 3.07Å
216	P	53.1	Low	70.4	Confident	110 Å²	110	54.1 Å²	54.1	71%	0.714	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.1	175.6	-22.7	34.6	0	0	0	115
217	S	49.3	Very low	70.1	Confident	99 Å²	99	53.8 Å²	53.8	69%	0.692	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.6	174.9	32.7	0	0	0	0	114	T215	T215-S217 PolarHBondContact O-N 2.71Å; T215-S217 PolarHBondContact OG1-OG 3.28Å
218	D	59.6	Low	69.3	Low	78 Å²	78	57.7 Å²	57.7	42%	0.417	37%	0.365	S	S	.	.	S	Bend	trans	-74.7	148.5	-178.1	-72.8	-53.6	0	0	0	112.5	P213 T215	P213-D218 HydrophobicContact CB-CB 4.41Å; T215-D218 WeakPolarHBondContact CA-OD2 3.48Å; T215-D218 WeakPolarHBondContact CB-OD2 3.39Å; T215-D218 PolarHBondContact N-OD2 3.27Å; T215-D218 PolarHBondContact O-N 2.9Å; T215-D218 PolarHBondContact OG1-N 3.02Å; T215-D218 PolarHBondContact OG1-OD2 3.07Å
219	Q	60.8	Low	68.5	Low	99 Å²	99	55.9 Å²	55.9	46%	0.463	35%	0.353	S	S	.	.			trans	-70.7	143.6	170.5	-52.7	-169.2	29.4	0	0	109.2	G221 R809 L810	Q219-G221 PolarHBondContact O-N 3.13Å; Q219-R809 PolarHBondContact NE2-O 3.34Å; Q219-L810 HydrophobicContact CG-CD2 4.24Å
220	L	64.1	Low	68.4	Low	41 Å²	41	57.4 Å²	57.4	22%	0.215	36%	0.363	C	S	.	.			trans	-62.9	14.5	-177.3	-82.2	162.1	0	0	0	115.7	L211 P213 I222 Y246 V282	L211-L220 HydrophobicContact CB-CD2 4.36Å; P213-L220 HydrophobicContact CG-CD2 3.86Å; L220-I222 HydrophobicContact CB-CG1 4.41Å; L220-I222 PolarHBondContact O-N 2.95Å; L220-Y246 WeakPolarHBondContact O-CE1 3.45Å; L220-V282 HydrophobicContact CD1-CG2 3.85Å; L220-V282 HydrophobicContact CD2-CB 4.12Å; L220-V282 HydrophobicContact CD2-CG2 3.87Å
221	G	64.6	Low	68.4	Low	15 Å²	15	56 Å²	56	16%	0.155	35%	0.351	C	S	.	.	S	Bend	trans	64.9	4	173.4	0	0	0	0	0	116	Q219 T237 A238	Q219-G221 PolarHBondContact O-N 3.13Å; G221-T237 CarbonylContact O-C 3.23Å; G221-T237 WeakPolarHBondContact O-CA 3.15Å; G221-A238 PolarHBondContact O-N 2.89Å
222	I	73.9	Confident	68.7	Low	33 Å²	33	56.1 Å²	56.1	17%	0.169	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141	-176	62.6	168.5	0	0	0	112.1	L211 L220 I224 T237 Y246 L284	L211-I222 HydrophobicContact CD1-CD1 3.69Å; L211-I222 HydrophobicContact CD1-CG1 4.27Å; L211-I222 HydrophobicContact CD1-CG2 4.05Å; L220-I222 HydrophobicContact CB-CG1 4.41Å; L220-I222 PolarHBondContact O-N 2.95Å; I222-I224 HydrophobicContact CD1-CD1 3.84Å; I222-I224 HydrophobicContact CD1-CG1 4.14Å; I222-T237 HydrophobicContact CG2-CG2 4.43Å; I222-Y246 HydrophobicContact CG2-CD1 4.41Å; I222-L284 HydrophobicContact CD1-CD1 3.76Å
223	E	76.7	Confident	69.2	Low	59 Å²	59	54.1 Å²	54.1	28%	0.276	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.3	167.6	-167.2	-169.4	-135.4	0	0	109.6	V234 T235 G236 S813	E223-V234 CarbonylContact O-C 3.56Å; E223-V234 WeakPolarHBondContact O-CA 3.36Å; E223-T235 WeakPolarHBondContact CG-OG1 3.34Å; E223-T235 PolarHBondContact O-N 2.87Å; E223-T235 PolarHBondContact O-OG1 2.9Å; E223-T235 WeakPolarHBondContact OE2-CB 3.3Å; E223-T235 PolarHBondContact OE2-OG1 2.96Å; E223-G236 PolarHBondContact N-O 3.34Å; E223-S813 PolarHBondContact OE1-OG 3.49Å
224	I	81.1	Confident	69.8	Low	16 Å²	16	53.4 Å²	53.4	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.7	176.5	-59.5	169.6	0	0	0	109.2	I222 H232 Y233 V234 V255 L271 L275	I222-I224 HydrophobicContact CD1-CD1 3.84Å; I222-I224 HydrophobicContact CD1-CG1 4.14Å; I224-H232 HydrophobicContact CG2-CB 3.93Å; I224-Y233 WeakPolarHBondContact CA-O 3.41Å; I224-V234 HydrophobicContact CG1-CG2 4.42Å; I224-V255 HydrophobicContact CD1-CG2 4.3Å; I224-L271 HydrophobicContact CG2-CD2 4.18Å; I224-L275 HydrophobicContact CD1-CD1 3.96Å
225	T	77.7	Confident	70.2	Confident	57 Å²	57	51.7 Å²	51.7	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	153.1	166.5	57.9	0	0	0	0	110.9	H232 Y233 T235	T225-H232 WeakPolarHBondContact O-CA 3.15Å; T225-Y233 PolarHBondContact N-O 2.85Å; T225-Y233 PolarHBondContact O-N 2.96Å; T225-T235 HydrophobicContact CG2-CG2 3.6Å; T225-T235 VanDerWaalsContact OG1-CG2 3.23Å; T225-T235 WeakPolarHBondContact OG1-CG2 3.2Å
226	S	81.1	Confident	70.5	Confident	36 Å²	36	49.9 Å²	49.9	25%	0.252	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126	179.1	-60.5	0	0	0	0	109.3	N231 H232	S226-N231 WeakPolarHBondContact CA-O 3.35Å; S226-H232 PolarHBondContact OG-ND1 2.96Å
227	T	73.8	Confident	70.9	Confident	55 Å²	55	47.6 Å²	47.6	34%	0.337	29%	0.288	S	S	.	.			trans	-71.2	157.5	173.3	62.3	0	0	0	0	110.6	S229 S230 N231 Y233	T227-S229 PolarHBondContact O-N 2.86Å; T227-S229 PolarHBondContact OG1-OG 3.4Å; T227-S230 PolarHBondContact O-N 3.42Å; T227-N231 PolarHBondContact N-O 3.2Å; T227-N231 WeakPolarHBondContact OG1-CB 3.09Å; T227-N231 PolarHBondContact OG1-N 2.78Å; T227-N231 PolarHBondContact OG1-O 2.9Å; T227-Y233 HydrophobicContact CG2-CD2 4.1Å; T227-Y233 HydrophobicContact CG2-CE2 3.78Å
228	S	64.6	Low	71.2	Confident	134 Å²	134	45.7 Å²	45.7	94%	0.937	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	0.5	175.7	55.1	0	0	0	0	115.7
229	S	65.1	Low	70.5	Confident	36 Å²	36	46.6 Å²	46.6	25%	0.252	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	15.9	172.7	71.2	0	0	0	0	113	E62 K66 T227 N231	E62-S229 WeakPolarHBondContact OE1-CB 3.24Å; K66-S229 WeakPolarHBondContact CE-O 3.43Å; K66-S229 PolarHBondContact NZ-O 3.44Å; K66-S229 PolarHBondContact NZ-OG 3.16Å; K66-S229 VanDerWaalsContact NZ-OG 3.09Å; T227-S229 PolarHBondContact O-N 2.86Å; T227-S229 PolarHBondContact OG1-OG 3.4Å; S229-N231 PolarHBondContact O-N 3.09Å; S229-N231 PolarHBondContact OG-ND2 2.69Å; S229-N231 VanDerWaalsContact OG-ND2 3.16Å
230	S	81.1	Confident	69.8	Low	32 Å²	32	50.1 Å²	50.1	22%	0.224	31%	0.314	C	S	.	.	S	Bend	trans	59.1	45.8	-178.5	-60.4	0	0	0	0	113.9	T227 G265 W266	T227-S230 PolarHBondContact O-N 3.42Å; S230-G265 VanDerWaalsContact CB-C 3.43Å; S230-G265 VanDerWaalsContact CB-O 3.31Å; S230-G265 WeakPolarHBondContact CB-O 3.46Å; S230-G265 WeakPolarHBondContact O-CA 3.45Å; S230-G265 PolarHBondContact O-N 2.92Å; S230-W266 WeakPolarHBondContact CB-O 3.22Å; S230-W266 PolarHBondContact OG-O 2.97Å
231	N	80.8	Confident	69.1	Low	34 Å²	34	50.8 Å²	50.8	18%	0.182	32%	0.321	C	S	.	.			trans	-107	139.8	155.9	-48.5	-44.8	0	0	0	108.2	K66 S226 T227 S229 Y233	K66-N231 PolarHBondContact NZ-OD1 3.29Å; S226-N231 WeakPolarHBondContact CA-O 3.35Å; T227-N231 PolarHBondContact N-O 3.2Å; T227-N231 WeakPolarHBondContact OG1-CB 3.09Å; T227-N231 PolarHBondContact OG1-N 2.78Å; T227-N231 PolarHBondContact OG1-O 2.9Å; S229-N231 PolarHBondContact O-N 3.09Å; S229-N231 PolarHBondContact OG-ND2 2.69Å; S229-N231 VanDerWaalsContact OG-ND2 3.16Å; N231-Y233 HydrophobicContact CB-CE2 3.73Å
232	H	84.8	Confident	68.3	Low	2 Å²	2	55 Å²	55	1%	0.009	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131	-174.6	-46	-71.4	0	0	0	110.8	I224 T225 S226 E254 V255 V263 W266 L271	I224-H232 HydrophobicContact CG2-CB 3.93Å; T225-H232 WeakPolarHBondContact O-CA 3.15Å; S226-H232 PolarHBondContact OG-ND1 2.96Å; H232-E254 WeakPolarHBondContact O-CA 3.38Å; H232-V255 HydrophobicContact CB-CB 4.29Å; H232-V255 PolarHBondContact O-N 3.3Å; H232-V263 PolarHBondContact NE2-O 2.87Å; H232-W266 PolarHBondContact CE1-O 3.46Å; H232-W266 PolarHBondContact NE2-O 3.13Å; H232-W266 VanDerWaalsContact NE2-O 3.12Å; H232-L271 HydrophobicContact CB-CD2 3.98Å; H232-L271 WeakPolarHBondContact ND1-CD2 3.34Å
233	Y	80.4	Confident	67.2	Low	44 Å²	44	56 Å²	56	17%	0.173	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.4	-178	-59.9	-89	0	0	0	110.4	R138 I224 T225 T227 N231 D253 E254	R138-Y233 PolarHBondContact NH2-OH 3.24Å; I224-Y233 WeakPolarHBondContact CA-O 3.41Å; T225-Y233 PolarHBondContact N-O 2.85Å; T225-Y233 PolarHBondContact O-N 2.96Å; T227-Y233 HydrophobicContact CG2-CD2 4.1Å; T227-Y233 HydrophobicContact CG2-CE2 3.78Å; N231-Y233 HydrophobicContact CB-CE2 3.73Å; Y233-D253 WeakPolarHBondContact CA-O 3.41Å; Y233-E254 HydrophobicContact CD1-CB 3.96Å; Y233-E254 HydrophobicContact CD1-CG 4.35Å; Y233-E254 HydrophobicContact CE1-CB 3.88Å; Y233-E254 HydrophobicContact CE1-CG 4.02Å
234	V	79.2	Confident	66.1	Low	1 Å²	1	58.6 Å²	58.6	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.3	170.8	-177.6	0	0	0	0	108.9	E223 I224 V249 S251 G252 D253 V255	E223-V234 CarbonylContact O-C 3.56Å; E223-V234 WeakPolarHBondContact O-CA 3.36Å; I224-V234 HydrophobicContact CG1-CG2 4.42Å; V234-V249 HydrophobicContact CB-CG1 4.26Å; V234-V249 HydrophobicContact CG1-CG1 4Å; V234-V249 HydrophobicContact CG2-CG1 3.73Å; V234-S251 CarbonylContact O-C 3.59Å; V234-S251 WeakPolarHBondContact O-CA 3.31Å; V234-G252 PolarHBondContact O-N 3.42Å; V234-D253 PolarHBondContact N-O 3.2Å; V234-V255 HydrophobicContact CG2-CG2 4.05Å
235	T	66.3	Low	64.8	Low	46 Å²	46	58.6 Å²	58.6	28%	0.282	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-28.3	179.3	35.5	0	0	0	0	113.6	E223 T225 S251	E223-T235 WeakPolarHBondContact CG-OG1 3.34Å; E223-T235 PolarHBondContact O-N 2.87Å; E223-T235 PolarHBondContact O-OG1 2.9Å; E223-T235 WeakPolarHBondContact OE2-CB 3.3Å; E223-T235 PolarHBondContact OE2-OG1 2.96Å; T225-T235 HydrophobicContact CG2-CG2 3.6Å; T225-T235 VanDerWaalsContact OG1-CG2 3.23Å; T225-T235 WeakPolarHBondContact OG1-CG2 3.2Å; T235-S251 VanDerWaalsContact O-CB 3.3Å; T235-S251 WeakPolarHBondContact O-CB 3.44Å; T235-S251 PolarHBondContact O-OG 3.47Å
236	G	63.3	Low	63.7	Low	20 Å²	20	56.6 Å²	56.6	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	167.9	174.2	0	0	0	0	0	112.8	E223	E223-G236 PolarHBondContact N-O 3.34Å
237	T	61.5	Low	62.6	Low	62 Å²	62	59.2 Å²	59.2	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.3	165.5	55.1	0	0	0	0	109.2	G221 I222	G221-T237 CarbonylContact O-C 3.23Å; G221-T237 WeakPolarHBondContact O-CA 3.15Å; I222-T237 HydrophobicContact CG2-CG2 4.43Å
238	A	54	Low	61.9	Low	60 Å²	60	59.7 Å²	59.7	50%	0.496	37%	0.371	S	S	.	.			trans	-62	152.9	175.3	0	0	0	0	0	111.2	G221 E240	G221-A238 PolarHBondContact O-N 2.89Å; A238-E240 PolarHBondContact O-N 3.23Å
239	A	45	Very low	62.2	Low	96 Å²	96	53.5 Å²	53.5	79%	0.793	33%	0.327	S	S	*	.	S	Bend	trans	-68.2	-7.8	-159.3	0	0	0	0	0	116.9	P241	A239-P241 VanDerWaalsContact C-CD 3.46Å; A239-P241 VanDerWaalsContact O-CD 3.31Å; A239-P241 WeakPolarHBondContact O-CD 3.46Å
240	E	47.7	Very low	62.2	Low	174 Å²	174	55.1 Å²	55.1	81%	0.813	33%	0.333	S	S	*	.			trans	-120.2	73.2	-177.3	-71.6	-70.6	155.1	0	0	111.2	A238 S242	A238-E240 PolarHBondContact O-N 3.23Å; E240-S242 VanDerWaalsContact C-N 3.34Å; E240-S242 PolarHBondContact O-N 2.88Å
241	P	47.9	Very low	61.4	Low	55 Å²	55	55.7 Å²	55.7	36%	0.357	34%	0.337	S	S	.	.			trans	-76.9	80.3	-179.3	32.3	-36	0	0	0	111.6	A239 S243 L247	A239-P241 VanDerWaalsContact C-CD 3.46Å; A239-P241 VanDerWaalsContact O-CD 3.31Å; A239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-S243 PolarHBondContact O-N 2.89Å; P241-L247 HydrophobicContact CB-CD2 4.29Å; P241-L247 HydrophobicContact CG-CD2 4.27Å
242	S	47.3	Very low	60.6	Low	104 Å²	104	54.7 Å²	54.7	73%	0.727	34%	0.335	S	S	*	.			trans	-68.9	6.4	-179.8	60.1	0	0	0	0	115.6	E240	E240-S242 VanDerWaalsContact C-N 3.34Å; E240-S242 PolarHBondContact O-N 2.88Å
243	S	51.6	Low	60.2	Low	52 Å²	52	55.2 Å²	55.2	36%	0.364	34%	0.338	S	S	.	.	S	Bend	trans	-148.7	139.7	-179	173.4	0	0	0	0	112.7	P241 A245 Y246	P241-S243 PolarHBondContact O-N 2.89Å; S243-A245 PolarHBondContact O-N 2.76Å; S243-A245 PolarHBondContact OG-N 2.94Å; S243-Y246 PolarHBondContact O-N 2.89Å; S243-Y246 VanDerWaalsContact O-N 3.07Å
244	D	54.4	Low	60.3	Low	114 Å²	114	54 Å²	54	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.5	175.1	-99.9	-38.7	0	0	0	114.3	Q248	D244-Q248 PolarHBondContact O-NE2 2.95Å
245	A	52.2	Low	60.7	Low	16 Å²	16	54 Å²	54	13%	0.132	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.7	175.8	0	0	0	0	0	112.5	S210 L211 S243 L247 Q248	S210-A245 WeakPolarHBondContact O-CB 3.47Å; L211-A245 HydrophobicContact CD2-CB 4.43Å; S243-A245 PolarHBondContact O-N 2.76Å; S243-A245 PolarHBondContact OG-N 2.94Å; A245-L247 VanDerWaalsContact C-N 3.25Å; A245-L247 PolarHBondContact O-N 2.81Å; A245-Q248 WeakPolarHBondContact O-CB 3.49Å; A245-Q248 PolarHBondContact O-N 3.02Å; A245-Q248 VanDerWaalsContact O-N 3.07Å
246	Y	55.8	Low	61.7	Low	15 Å²	15	52 Å²	52	6%	0.059	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-68.7	-28.8	178.3	-61.6	-70.2	0	0	0	111.4	L211 V212 L220 I222 S243 Q248 V249	L211-Y246 HydrophobicContact CB-CE1 3.99Å; L211-Y246 HydrophobicContact CD1-CE1 4.23Å; L211-Y246 HydrophobicContact CD2-CD1 3.83Å; L211-Y246 HydrophobicContact CD2-CE1 3.74Å; L211-Y246 HydrophobicContact CG-CE1 4.19Å; V212-Y246 VanDerWaalsContact C-OH 3.24Å; V212-Y246 PolarHBondContact O-OH 2.84Å; L220-Y246 WeakPolarHBondContact O-CE1 3.45Å; I222-Y246 HydrophobicContact CG2-CD1 4.41Å; S243-Y246 PolarHBondContact O-N 2.89Å; S243-Y246 VanDerWaalsContact O-N 3.07Å; Y246-Q248 PolarHBondContact O-N 3.16Å; Y246-Q248 VanDerWaalsContact O-N 3.16Å; Y246-V249 PolarHBondContact O-N 2.85Å
247	L	56.7	Low	63	Low	92 Å²	92	51.2 Å²	51.2	48%	0.482	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-72.2	3.9	171.8	-57.8	178	0	0	0	114.2	P241 A245 R294	P241-L247 HydrophobicContact CB-CD2 4.29Å; P241-L247 HydrophobicContact CG-CD2 4.27Å; A245-L247 VanDerWaalsContact C-N 3.25Å; A245-L247 PolarHBondContact O-N 2.81Å; L247-R294 PolarHBondContact O-NH2 3.21Å
248	Q	60.7	Low	64.3	Low	64 Å²	64	48.3 Å²	48.3	30%	0.299	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-98.6	-24.1	172.8	-64	171.1	29.1	0	0	113.1	V209 D244 A245 Y246	V209-Q248 HydrophobicContact CG1-CB 4.24Å; V209-Q248 HydrophobicContact CG2-CB 4.24Å; D244-Q248 PolarHBondContact O-NE2 2.95Å; A245-Q248 WeakPolarHBondContact O-CB 3.49Å; A245-Q248 PolarHBondContact O-N 3.02Å; A245-Q248 VanDerWaalsContact O-N 3.07Å; Y246-Q248 PolarHBondContact O-N 3.16Å; Y246-Q248 VanDerWaalsContact O-N 3.16Å
249	V	69.4	Low	65.7	Low	4 Å²	4	46.6 Å²	46.6	2%	0.024	28%	0.276	C	S	.	.			trans	-94.8	133.7	-178.3	-166.5	0	0	0	0	109.5	V209 L211 V234 Y246	V209-V249 HydrophobicContact CB-CG2 4.34Å; V209-V249 HydrophobicContact CG1-CG2 3.87Å; V209-V249 HydrophobicContact CG2-CG2 4.4Å; L211-V249 HydrophobicContact CD2-CG2 4.08Å; V234-V249 HydrophobicContact CB-CG1 4.26Å; V234-V249 HydrophobicContact CG1-CG1 4Å; V234-V249 HydrophobicContact CG2-CG1 3.73Å; Y246-V249 PolarHBondContact O-N 2.85Å
250	L	66.7	Low	67.6	Low	70 Å²	70	47.4 Å²	47.4	37%	0.366	27%	0.267	S	S	.	.			trans	-126	149	-173.1	-64.3	163.4	0	0	0	112.4	G252 D253 S292	L250-G252 PolarHBondContact O-N 3.16Å; L250-G252 VanDerWaalsContact O-N 3.17Å; L250-D253 WeakPolarHBondContact CB-OD2 3.33Å; L250-D253 PolarHBondContact N-OD2 3.15Å; L250-D253 WeakPolarHBondContact O-CB 3.47Å; L250-D253 PolarHBondContact O-N 2.85Å; L250-S292 VanDerWaalsContact CD1-OG 3.27Å; L250-S292 WeakPolarHBondContact CD1-OG 3.33Å
251	S	63.7	Low	69.5	Low	45 Å²	45	39.7 Å²	39.7	32%	0.315	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	118	169.8	-56.5	0	0	0	0	110.6	Q140 V234 T235	Q140-S251 VanDerWaalsContact CD-O 3.3Å; V234-S251 CarbonylContact O-C 3.59Å; V234-S251 WeakPolarHBondContact O-CA 3.31Å; T235-S251 VanDerWaalsContact O-CB 3.3Å; T235-S251 WeakPolarHBondContact O-CB 3.44Å; T235-S251 PolarHBondContact O-OG 3.47Å
252	G	65	Low	71.5	Confident	13 Å²	13	37.1 Å²	37.1	13%	0.134	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.5	-16.6	-173.7	0	0	0	0	0	115.2	V234 L250	V234-G252 PolarHBondContact O-N 3.42Å; L250-G252 PolarHBondContact O-N 3.16Å; L250-G252 VanDerWaalsContact O-N 3.17Å
253	D	74.9	Confident	73.5	Confident	13 Å²	13	32.2 Å²	32.2	7%	0.07	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-65.8	134.1	177.9	-76.4	-34.3	0	0	0	111.8	Y233 V234 L250 I286 R288	Y233-D253 WeakPolarHBondContact CA-O 3.41Å; V234-D253 PolarHBondContact N-O 3.2Å; L250-D253 WeakPolarHBondContact CB-OD2 3.33Å; L250-D253 PolarHBondContact N-OD2 3.15Å; L250-D253 WeakPolarHBondContact O-CB 3.47Å; L250-D253 PolarHBondContact O-N 2.85Å; D253-I286 HydrophobicContact CB-CB 4.34Å; D253-I286 HydrophobicContact CB-CD1 4.37Å; D253-I286 HydrophobicContact CB-CG2 4.49Å; D253-R288 WeakPolarHBondContact OD1-CA 3.09Å; D253-R288 WeakPolarHBondContact OD1-CB 3.49Å
254	E	83.3	Confident	75.2	Confident	18 Å²	18	30.4 Å²	30.4	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.5	-178.4	-177.1	176.3	-132.3	0	0	110.6	R138 H232 Y233 I256 I286 K287	R138-E254 IonicContact CZ-OE1 2.74Å; R138-E254 IonicContact CZ-OE2 3.95Å; R138-E254 VanDerWaalsContact CZ-OE2 3.31Å; R138-E254 IonicContact NH1-OE1 3.75Å; R138-E254 IonicContact NH1-OE2 2.96Å; R138-E254 PolarHBondContact NH1-OE2 3.12Å; R138-E254 IonicContact NH2-OE1 3.17Å; R138-E254 PolarHBondContact NH2-OE1 3.21Å; R138-E254 IonicContact NH2-OE2 2.63Å; R138-E254 PolarHBondContact NH2-OE2 3.26Å; R138-E254 VanDerWaalsContact NH2-OE2 3.1Å; H232-E254 WeakPolarHBondContact O-CA 3.38Å; Y233-E254 HydrophobicContact CD1-CB 3.96Å; Y233-E254 HydrophobicContact CD1-CG 4.35Å; Y233-E254 HydrophobicContact CE1-CB 3.88Å; Y233-E254 HydrophobicContact CE1-CG 4.02Å; E254-I256 HydrophobicContact CB-CD1 4.49Å; E254-I256 HydrophobicContact CG-CD1 3.83Å; E254-I256 PolarHBondContact O-N 3.3Å; E254-I286 CarbonylContact O-C 3.57Å; E254-I286 WeakPolarHBondContact O-CA 3.25Å; E254-K287 HydrophobicContact CB-CB 4.33Å; E254-K287 PolarHBondContact N-O 2.96Å; E254-K287 PolarHBondContact O-N 2.94Å; E254-K287 WeakPolarHBondContact OE2-CD 3.31Å
255	V	87.1	Confident	76.7	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.1	-177.8	-175.6	0	0	0	0	110	I224 H232 V234 V258 V263 L284 I286	I224-V255 HydrophobicContact CD1-CG2 4.3Å; H232-V255 HydrophobicContact CB-CB 4.29Å; H232-V255 PolarHBondContact O-N 3.3Å; V234-V255 HydrophobicContact CG2-CG2 4.05Å; V255-V258 HydrophobicContact CG1-CG2 4Å; V255-V263 HydrophobicContact CG1-CG2 4.2Å; V255-L284 HydrophobicContact CG1-CD2 4.33Å; V255-I286 HydrophobicContact CG2-CG2 4.45Å
256	I	88.4	Confident	78.5	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-40.4	-175.5	-52.3	-55.9	0	0	0	112.3	M1 L70 L206 E254 I262 V263 V264 I285 K287	M1-I256 HydrophobicContact CE-CB 4.28Å; M1-I256 HydrophobicContact CE-CG2 3.52Å; M1-I256 HydrophobicContact SD-CG2 4.43Å; L70-I256 HydrophobicContact CD1-CD1 4.13Å; L70-I256 HydrophobicContact CD1-CG1 4.38Å; L70-I256 HydrophobicContact CD1-CG2 3.8Å; L70-I256 HydrophobicContact CD2-CG2 3.48Å; L70-I256 VanDerWaalsContact CD2-CG2 3.48Å; L70-I256 HydrophobicContact CG-CG2 4.31Å; L206-I256 HydrophobicContact CD2-CG1 4.14Å; E254-I256 HydrophobicContact CB-CD1 4.49Å; E254-I256 HydrophobicContact CG-CD1 3.83Å; E254-I256 PolarHBondContact O-N 3.3Å; I256-I262 WeakPolarHBondContact O-CA 3.38Å; I256-I262 WeakPolarHBondContact O-CG2 3.46Å; I256-V263 PolarHBondContact O-N 3.39Å; I256-V264 HydrophobicContact CB-CG2 4.35Å; I256-V264 HydrophobicContact CD1-CG2 3.9Å; I256-V264 HydrophobicContact CG2-CG2 3.8Å; I256-I285 WeakPolarHBondContact CB-O 3.43Å; I256-I285 PolarHBondContact N-O 2.69Å; I256-K287 HydrophobicContact CD1-CB 3.8Å; I256-K287 HydrophobicContact CD1-CD 4.34Å; I256-K287 HydrophobicContact CG1-CB 3.56Å
257	Q	89.8	Confident	80	Confident	5 Å²	5	25.4 Å²	25.4	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.3	-177	-154.8	-174.2	-86.4	0	0	110.4	M1 D260 Q261 I262 L284 I285	M1-Q257 HydrophobicContact CE-CB 4.16Å; Q257-D260 PolarHBondContact NE2-OD1 2.92Å; Q257-Q261 CarbonylContact C-O 3.56Å; Q257-Q261 VanDerWaalsContact CA-O 3.27Å; Q257-Q261 WeakPolarHBondContact CA-O 3.44Å; Q257-Q261 WeakPolarHBondContact CG-O 3.49Å; Q257-I262 HydrophobicContact CB-CG1 4.46Å; Q257-I262 HydrophobicContact CG-CG1 4.08Å; Q257-L284 CarbonylContact O-C 3.54Å; Q257-L284 WeakPolarHBondContact O-CA 2.93Å; Q257-I285 HydrophobicContact CB-CB 3.64Å; Q257-I285 HydrophobicContact CB-CD1 4.22Å; Q257-I285 HydrophobicContact CB-CG1 3.88Å; Q257-I285 PolarHBondContact N-O 3.3Å; Q257-I285 VanDerWaalsContact N-O 3.13Å; Q257-I285 PolarHBondContact O-N 3.34Å
258	V	88.6	Confident	81.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.6	173.1	-178.7	0	0	0	0	107.9	V255 D260 Q261 V263 L271 K274 L275 V282 L284	V255-V258 HydrophobicContact CG1-CG2 4Å; V258-D260 PolarHBondContact O-N 3.04Å; V258-Q261 PolarHBondContact N-O 3.49Å; V258-Q261 WeakPolarHBondContact O-CB 3.44Å; V258-Q261 PolarHBondContact O-N 3.25Å; V258-V263 HydrophobicContact CB-CG1 4.02Å; V258-V263 HydrophobicContact CG2-CG1 3.86Å; V258-V263 HydrophobicContact CG2-CG2 3.97Å; V258-L271 HydrophobicContact CG2-CD1 3.75Å; V258-K274 HydrophobicContact CB-CG 4.21Å; V258-K274 HydrophobicContact CG1-CG 4.03Å; V258-L275 HydrophobicContact CG1-CD2 3.67Å; V258-L275 HydrophobicContact CG1-CG 4.24Å; V258-L275 HydrophobicContact CG2-CD2 4.19Å; V258-V282 HydrophobicContact CG1-CG1 4.05Å; V258-L284 HydrophobicContact CB-CD2 4.38Å; V258-L284 HydrophobicContact CG1-CD2 4.28Å; V258-L284 HydrophobicContact CG2-CD2 3.78Å
259	N	84.3	Confident	82.4	Confident	24 Å²	24	26 Å²	26	13%	0.128	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	57.7	174.6	-59.2	-25.6	0	0	0	111.8	Q261 K274 N278 V282 T283	N259-Q261 PolarHBondContact O-N 2.98Å; N259-K274 PolarHBondContact ND2-O 2.83Å; N259-N278 PolarHBondContact ND2-ND2 3.18Å; N259-N278 VanDerWaalsContact ND2-ND2 3.15Å; N259-V282 WeakPolarHBondContact OD1-CA 3.48Å; N259-T283 PolarHBondContact N-O 2.8Å; N259-T283 PolarHBondContact OD1-N 3.11Å
260	D	84.1	Confident	83.3	Confident	113 Å²	113	27.8 Å²	27.8	60%	0.604	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-2.7	-174.9	-66.8	-53.9	0	0	0	118.6	R11 Q257 V258	R11-D260 PolarHBondContact NH2-O 3.27Å; Q257-D260 PolarHBondContact NE2-OD1 2.92Å; V258-D260 PolarHBondContact O-N 3.04Å
261	Q	88.6	Confident	84.3	Confident	13 Å²	13	24.6 Å²	24.6	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.9	172.4	-175	50.5	52.8	0	0	111	Q257 V258 N259 W266 K274	Q257-Q261 CarbonylContact C-O 3.56Å; Q257-Q261 VanDerWaalsContact CA-O 3.27Å; Q257-Q261 WeakPolarHBondContact CA-O 3.44Å; Q257-Q261 WeakPolarHBondContact CG-O 3.49Å; V258-Q261 PolarHBondContact N-O 3.49Å; V258-Q261 WeakPolarHBondContact O-CB 3.44Å; V258-Q261 PolarHBondContact O-N 3.25Å; N259-Q261 PolarHBondContact O-N 2.98Å; Q261-W266 HydrophobicContact CG-CH2 3.45Å; Q261-W266 VanDerWaalsContact CG-CH2 3.45Å; Q261-W266 HydrophobicContact CG-CZ2 3.39Å; Q261-W266 HydrophobicContact CG-CZ3 4.32Å; Q261-K274 HydrophobicContact CB-CD 4.35Å
262	I	89.7	Confident	85.2	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	134	167	-71	-162.4	0	0	0	108.2	M1 I4 W7 L67 L70 I256 Q257 V264	M1-I262 HydrophobicContact CE-CD1 3.76Å; M1-I262 HydrophobicContact CE-CG1 4.18Å; M1-I262 HydrophobicContact CG-CD1 4.11Å; M1-I262 HydrophobicContact SD-CD1 3.65Å; I4-I262 HydrophobicContact CD1-CD1 4.38Å; I4-I262 HydrophobicContact CG1-CD1 4.39Å; W7-I262 HydrophobicContact CH2-CB 3.88Å; W7-I262 HydrophobicContact CH2-CD1 4.28Å; W7-I262 HydrophobicContact CH2-CG1 4.31Å; W7-I262 HydrophobicContact CH2-CG2 4.31Å; W7-I262 HydrophobicContact CZ2-CB 3.94Å; W7-I262 HydrophobicContact CZ2-CD1 3.68Å; W7-I262 HydrophobicContact CZ2-CG1 3.85Å; L67-I262 HydrophobicContact CD2-CG2 3.93Å; L70-I262 HydrophobicContact CD2-CD1 3.91Å; I256-I262 WeakPolarHBondContact O-CA 3.38Å; I256-I262 WeakPolarHBondContact O-CG2 3.46Å; Q257-I262 HydrophobicContact CB-CG1 4.46Å; Q257-I262 HydrophobicContact CG-CG1 4.08Å; I262-V264 HydrophobicContact CG2-CB 3.95Å; I262-V264 HydrophobicContact CG2-CG2 4.1Å
263	V	89.5	Confident	86.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.			trans	-113.4	5	-177.3	-62.5	0	0	0	0	112.9	H232 V255 I256 V258 G265 W266 L271	H232-V263 PolarHBondContact NE2-O 2.87Å; V255-V263 HydrophobicContact CG1-CG2 4.2Å; I256-V263 PolarHBondContact O-N 3.39Å; V258-V263 HydrophobicContact CB-CG1 4.02Å; V258-V263 HydrophobicContact CG2-CG1 3.86Å; V258-V263 HydrophobicContact CG2-CG2 3.97Å; V263-G265 PolarHBondContact O-N 3.35Å; V263-W266 HydrophobicContact CB-CB 4.38Å; V263-W266 HydrophobicContact CB-CD2 4.19Å; V263-W266 HydrophobicContact CB-CE3 4.36Å; V263-W266 HydrophobicContact CB-CG 4.19Å; V263-W266 HydrophobicContact CG1-CD2 4.08Å; V263-W266 HydrophobicContact CG1-CE3 3.87Å; V263-W266 HydrophobicContact CG1-CZ3 4.34Å; V263-W266 VanDerWaalsContact O-CB 3.26Å; V263-W266 WeakPolarHBondContact O-CB 3.43Å; V263-W266 PolarHBondContact O-N 2.99Å; V263-L271 HydrophobicContact CB-CD1 4.1Å; V263-L271 HydrophobicContact CG1-CD1 4.02Å; V263-L271 HydrophobicContact CG2-CD1 4Å
264	V	87.4	Confident	86.8	Confident	15 Å²	15	30.9 Å²	30.9	9%	0.091	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	122.4	174.9	173.1	0	0	0	0	109.7	W15 K66 L67 L70 I256 I262	W15-V264 WeakPolarHBondContact CZ2-O 3.35Å; W15-V264 PolarHBondContact NE1-O 3.48Å; K66-V264 HydrophobicContact CB-CG1 3.68Å; L67-V264 HydrophobicContact CD2-CB 4.23Å; L67-V264 HydrophobicContact CD2-CG1 4.4Å; L70-V264 HydrophobicContact CD2-CG2 4.3Å; I256-V264 HydrophobicContact CB-CG2 4.35Å; I256-V264 HydrophobicContact CD1-CG2 3.9Å; I256-V264 HydrophobicContact CG2-CG2 3.8Å; I262-V264 HydrophobicContact CG2-CB 3.95Å; I262-V264 HydrophobicContact CG2-CG2 4.1Å
265	G	84.8	Confident	86.8	Confident	6 Å²	6	31.2 Å²	31.2	6%	0.062	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-5	-176.4	0	0	0	0	0	115.3	L19 S230 V263	L19-G265 WeakPolarHBondContact CD2-O 3.18Å; S230-G265 VanDerWaalsContact CB-C 3.43Å; S230-G265 VanDerWaalsContact CB-O 3.31Å; S230-G265 WeakPolarHBondContact CB-O 3.46Å; S230-G265 WeakPolarHBondContact O-CA 3.45Å; S230-G265 PolarHBondContact O-N 2.92Å; V263-G265 PolarHBondContact O-N 3.35Å
266	W	90.7	Very high	86.5	Confident	16 Å²	16	38.5 Å²	38.5	6%	0.061	19%	0.19	C	C	.	.			trans	-76.2	147.8	-178.2	-75.1	21.9	0	0	0	113.6	K14 W15 G18 S230 H232 Q261 V263 K270 K274	K14-W266 WeakPolarHBondContact O-CZ2 3.34Å; W15-W266 AromaticContact CD1-CD1 3.92Å; W15-W266 AromaticContact CD1-NE1 3.27Å; W15-W266 VanDerWaalsContact CD1-NE1 3.27Å; W15-W266 AromaticContact CG-NE1 3.91Å; W15-W266 AromaticContact NE1-CD1 3.75Å; W15-W266 AromaticContact NE1-NE1 3.59Å; W15-W266 PolarHBondContact O-NE1 3.23Å; G18-W266 VanDerWaalsContact O-CA 3.3Å; G18-W266 WeakPolarHBondContact O-CA 3.31Å; G18-W266 WeakPolarHBondContact O-CB 3.5Å; S230-W266 WeakPolarHBondContact CB-O 3.22Å; S230-W266 PolarHBondContact OG-O 2.97Å; H232-W266 PolarHBondContact CE1-O 3.46Å; H232-W266 PolarHBondContact NE2-O 3.13Å; H232-W266 VanDerWaalsContact NE2-O 3.12Å; Q261-W266 HydrophobicContact CG-CH2 3.45Å; Q261-W266 VanDerWaalsContact CG-CH2 3.45Å; Q261-W266 HydrophobicContact CG-CZ2 3.39Å; Q261-W266 HydrophobicContact CG-CZ3 4.32Å; V263-W266 HydrophobicContact CB-CB 4.38Å; V263-W266 HydrophobicContact CB-CD2 4.19Å; V263-W266 HydrophobicContact CB-CE3 4.36Å; V263-W266 HydrophobicContact CB-CG 4.19Å; V263-W266 HydrophobicContact CG1-CD2 4.08Å; V263-W266 HydrophobicContact CG1-CE3 3.87Å; V263-W266 HydrophobicContact CG1-CZ3 4.34Å; V263-W266 VanDerWaalsContact O-CB 3.26Å; V263-W266 WeakPolarHBondContact O-CB 3.43Å; V263-W266 PolarHBondContact O-N 2.99Å; W266-K270 HydrophobicContact CE3-CB 3.98Å; W266-K270 HydrophobicContact CZ3-CB 4.35Å; W266-K274 HydrophobicContact CZ3-CB 4.03Å; W266-K274 HydrophobicContact CZ3-CD 4.4Å; W266-K274 HydrophobicContact CZ3-CG 4.23Å
267	S	86.8	Confident	86.2	Confident	18 Å²	18	43.6 Å²	43.6	13%	0.126	21%	0.214	C	C	.	.			trans	-63.3	150.8	171.8	63.9	0	0	0	0	112.1	G18 L19 A269 K270 L271	G18-S267 PolarHBondContact O-N 2.85Å; L19-S267 VanDerWaalsContact O-CB 3.23Å; L19-S267 WeakPolarHBondContact O-CB 3.43Å; L19-S267 PolarHBondContact O-N 3.45Å; S267-A269 PolarHBondContact O-N 3.49Å; S267-A269 VanDerWaalsContact O-N 3.13Å; S267-K270 PolarHBondContact O-N 3.2Å; S267-K270 VanDerWaalsContact OG-CG 3.24Å; S267-K270 WeakPolarHBondContact OG-CG 3.48Å; S267-K270 PolarHBondContact OG-N 3.39Å; S267-L271 PolarHBondContact O-N 2.97Å
268	R	84.1	Confident	85.5	Confident	98 Å²	98	46.2 Å²	46.2	37%	0.37	23%	0.228	S	C	.	.	H	α-helix	trans	-53.2	-34.5	174.4	-173.2	-176.4	-175.1	-163.3	4.8	111.9	I272	R268-I272 HydrophobicContact CG-CD1 3.95Å; R268-I272 WeakPolarHBondContact O-CD1 3.43Å; R268-I272 VanDerWaalsContact O-CG1 3.25Å; R268-I272 WeakPolarHBondContact O-CG1 3.42Å; R268-I272 PolarHBondContact O-N 3.24Å; R268-I272 VanDerWaalsContact O-N 3.11Å
269	A	84.4	Confident	84.5	Confident	70 Å²	70	49.8 Å²	49.8	58%	0.579	25%	0.251	S	S	*	.	H	α-helix	trans	-65.8	-54.3	178.5	0	0	0	0	0	112.2	S267 L271 I272 E273	S267-A269 PolarHBondContact O-N 3.49Å; S267-A269 VanDerWaalsContact O-N 3.13Å; A269-L271 VanDerWaalsContact C-N 3.28Å; A269-L271 PolarHBondContact O-N 3.1Å; A269-I272 PolarHBondContact O-N 3.43Å; A269-I272 VanDerWaalsContact O-N 3.1Å; A269-E273 PolarHBondContact O-N 3.1Å
270	K	87.3	Confident	83.4	Confident	41 Å²	41	53.4 Å²	53.4	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-30.7	-180	-60.5	-87.8	-177	148.2	0	111.8	Q17 G18 D24 W266 S267 K274	Q17-K270 WeakPolarHBondContact O-CE 3.49Å; Q17-K270 PolarHBondContact O-NZ 2.79Å; G18-K270 WeakPolarHBondContact O-CB 3.22Å; D24-K270 IonicContact OD1-NZ 3.27Å; D24-K270 PolarHBondContact OD1-NZ 2.74Å; D24-K270 WeakPolarHBondContact OD2-CE 3.3Å; D24-K270 IonicContact OD2-NZ 3.62Å; D24-K270 PolarHBondContact OD2-NZ 3.16Å; W266-K270 HydrophobicContact CE3-CB 3.98Å; W266-K270 HydrophobicContact CZ3-CB 4.35Å; S267-K270 PolarHBondContact O-N 3.2Å; S267-K270 VanDerWaalsContact OG-CG 3.24Å; S267-K270 WeakPolarHBondContact OG-CG 3.48Å; S267-K270 PolarHBondContact OG-N 3.39Å; K270-K274 WeakPolarHBondContact O-CB 3.45Å; K270-K274 PolarHBondContact O-N 3.38Å
271	L	87.8	Confident	82.8	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-48.8	169.4	177.1	65.4	0	0	0	112.1	I224 H232 V258 V263 S267 A269 E273 K274 L275	I224-L271 HydrophobicContact CG2-CD2 4.18Å; H232-L271 HydrophobicContact CB-CD2 3.98Å; H232-L271 WeakPolarHBondContact ND1-CD2 3.34Å; V258-L271 HydrophobicContact CG2-CD1 3.75Å; V263-L271 HydrophobicContact CB-CD1 4.1Å; V263-L271 HydrophobicContact CG1-CD1 4.02Å; V263-L271 HydrophobicContact CG2-CD1 4Å; S267-L271 PolarHBondContact O-N 2.97Å; A269-L271 VanDerWaalsContact C-N 3.28Å; A269-L271 PolarHBondContact O-N 3.1Å; L271-E273 VanDerWaalsContact C-N 3.27Å; L271-E273 PolarHBondContact O-N 2.94Å; L271-K274 PolarHBondContact O-N 2.9Å; L271-L275 HydrophobicContact CD1-CD1 4.18Å; L271-L275 HydrophobicContact CD1-CG 4.29Å; L271-L275 HydrophobicContact CG-CD1 3.94Å; L271-L275 HydrophobicContact CG-CG 4.47Å; L271-L275 VanDerWaalsContact O-CG 3.32Å; L271-L275 WeakPolarHBondContact O-CG 3.18Å; L271-L275 PolarHBondContact O-N 3.04Å
272	I	83.6	Confident	82.6	Confident	39 Å²	39	48.3 Å²	48.3	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-37	179.4	-71.5	165.3	0	0	0	110.9	R268 A269 L275 R276 L812	R268-I272 HydrophobicContact CG-CD1 3.95Å; R268-I272 WeakPolarHBondContact O-CD1 3.43Å; R268-I272 VanDerWaalsContact O-CG1 3.25Å; R268-I272 WeakPolarHBondContact O-CG1 3.42Å; R268-I272 PolarHBondContact O-N 3.24Å; R268-I272 VanDerWaalsContact O-N 3.11Å; A269-I272 PolarHBondContact O-N 3.43Å; A269-I272 VanDerWaalsContact O-N 3.1Å; I272-L275 PolarHBondContact O-N 3.03Å; I272-R276 VanDerWaalsContact O-CG 3.3Å; I272-R276 WeakPolarHBondContact O-CG 3.49Å; I272-R276 PolarHBondContact O-N 3.12Å; I272-L812 HydrophobicContact CD1-CD1 3.72Å
273	E	85.4	Confident	82.4	Confident	126 Å²	126	50.5 Å²	50.5	59%	0.589	27%	0.269	S	S	*	.	H	α-helix	trans	-60	-51.3	172.1	-170.9	177.2	-175.3	0	0	111.5	A269 L271 L275 R276 E277	A269-E273 PolarHBondContact O-N 3.1Å; L271-E273 VanDerWaalsContact C-N 3.27Å; L271-E273 PolarHBondContact O-N 2.94Å; E273-L275 VanDerWaalsContact C-N 3.28Å; E273-L275 PolarHBondContact O-N 3.38Å; E273-R276 PolarHBondContact O-N 3.08Å; E273-E277 PolarHBondContact O-N 3.03Å
274	K	86.6	Confident	82.2	Confident	39 Å²	39	50.5 Å²	50.5	17%	0.17	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-28.1	179	-165.7	69.3	-167.7	167.1	0	114.1	V258 N259 Q261 W266 K270 L271 E277	V258-K274 HydrophobicContact CB-CG 4.21Å; V258-K274 HydrophobicContact CG1-CG 4.03Å; N259-K274 PolarHBondContact ND2-O 2.83Å; Q261-K274 HydrophobicContact CB-CD 4.35Å; W266-K274 HydrophobicContact CZ3-CB 4.03Å; W266-K274 HydrophobicContact CZ3-CD 4.4Å; W266-K274 HydrophobicContact CZ3-CG 4.23Å; K270-K274 WeakPolarHBondContact O-CB 3.45Å; K270-K274 PolarHBondContact O-N 3.38Å; L271-K274 PolarHBondContact O-N 2.9Å; K274-E277 VanDerWaalsContact CD-OE2 3.26Å; K274-E277 WeakPolarHBondContact CD-OE2 3.44Å; K274-E277 WeakPolarHBondContact CE-OE2 3.44Å; K274-E277 VanDerWaalsContact NZ-CD 3.32Å; K274-E277 IonicContact NZ-OE1 2.71Å; K274-E277 PolarHBondContact NZ-OE1 3.15Å; K274-E277 IonicContact NZ-OE2 2.84Å; K274-E277 PolarHBondContact NZ-OE2 3.07Å
275	L	83.3	Confident	82.2	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-74.1	-27.3	173.4	-71.6	167.5	0	0	0	112.9	I224 V258 L271 I272 E273 V282 L284	I224-L275 HydrophobicContact CD1-CD1 3.96Å; V258-L275 HydrophobicContact CG1-CD2 3.67Å; V258-L275 HydrophobicContact CG1-CG 4.24Å; V258-L275 HydrophobicContact CG2-CD2 4.19Å; L271-L275 HydrophobicContact CD1-CD1 4.18Å; L271-L275 HydrophobicContact CD1-CG 4.29Å; L271-L275 HydrophobicContact CG-CD1 3.94Å; L271-L275 HydrophobicContact CG-CG 4.47Å; L271-L275 VanDerWaalsContact O-CG 3.32Å; L271-L275 WeakPolarHBondContact O-CG 3.18Å; L271-L275 PolarHBondContact O-N 3.04Å; I272-L275 PolarHBondContact O-N 3.03Å; E273-L275 VanDerWaalsContact C-N 3.28Å; E273-L275 PolarHBondContact O-N 3.38Å; L275-V282 HydrophobicContact CD2-CG1 3.79Å; L275-L284 HydrophobicContact CD2-CD2 4.05Å
276	R	81	Confident	82.2	Confident	156 Å²	156	50.1 Å²	50.1	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-86.6	-18	179.7	-71.5	171.2	-178.6	177.7	2.9	114.2	I272 E273 N278 L810	I272-R276 VanDerWaalsContact O-CG 3.3Å; I272-R276 WeakPolarHBondContact O-CG 3.49Å; I272-R276 PolarHBondContact O-N 3.12Å; E273-R276 PolarHBondContact O-N 3.08Å; R276-N278 VanDerWaalsContact C-N 3.26Å; R276-N278 PolarHBondContact O-N 2.97Å; R276-L810 VanDerWaalsContact NH2-CD1 3.28Å
277	E	82.4	Confident	81.6	Confident	109 Å²	109	50.9 Å²	50.9	51%	0.509	27%	0.268	S	S	.	.	S	Bend	trans	-57.4	-33.2	-177.6	-171.6	-172.4	-158.6	0	0	113.7	E273 K274 P279	E273-E277 PolarHBondContact O-N 3.03Å; K274-E277 VanDerWaalsContact CD-OE2 3.26Å; K274-E277 WeakPolarHBondContact CD-OE2 3.44Å; K274-E277 WeakPolarHBondContact CE-OE2 3.44Å; K274-E277 VanDerWaalsContact NZ-CD 3.32Å; K274-E277 IonicContact NZ-OE1 2.71Å; K274-E277 PolarHBondContact NZ-OE1 3.15Å; K274-E277 IonicContact NZ-OE2 2.84Å; K274-E277 PolarHBondContact NZ-OE2 3.07Å; E277-P279 WeakPolarHBondContact O-CD 3.5Å
278	N	75.9	Confident	80.9	Confident	60 Å²	60	52.8 Å²	52.8	32%	0.321	27%	0.273	S	S	.	.			trans	-121.9	82.5	-177.8	-66.8	-66.5	0	0	0	111.7	N259 R276 S280 G281	N259-N278 PolarHBondContact ND2-ND2 3.18Å; N259-N278 VanDerWaalsContact ND2-ND2 3.15Å; R276-N278 VanDerWaalsContact C-N 3.26Å; R276-N278 PolarHBondContact O-N 2.97Å; N278-S280 PolarHBondContact O-N 2.86Å; N278-G281 WeakPolarHBondContact CB-O 3.48Å; N278-G281 PolarHBondContact O-N 3.1Å
279	P	67.2	Low	79.7	Confident	75 Å²	75	49.5 Å²	49.5	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.2	-179.6	28.9	-36.1	0	0	0	114	E277	E277-P279 WeakPolarHBondContact O-CD 3.5Å
280	S	60.7	Low	78.1	Confident	99 Å²	99	47.7 Å²	47.7	69%	0.692	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.1	175.3	51.1	0	0	0	0	114.2	N278	N278-S280 PolarHBondContact O-N 2.86Å
281	G	72.4	Confident	76.4	Confident	17 Å²	17	47.2 Å²	47.2	18%	0.175	25%	0.251	C	S	.	.			trans	155	141.7	178.9	0	0	0	0	0	112.7	L211 N278	L211-G281 CarbonylContact O-C 3.53Å; L211-G281 WeakPolarHBondContact O-CA 3.42Å; N278-G281 WeakPolarHBondContact CB-O 3.48Å; N278-G281 PolarHBondContact O-N 3.1Å
282	V	83.9	Confident	74.4	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.7	-178.5	174.7	0	0	0	0	109.8	L211 L220 V258 N259 L275 L284	L211-V282 PolarHBondContact N-O 2.68Å; L211-V282 PolarHBondContact O-N 2.7Å; L220-V282 HydrophobicContact CD1-CG2 3.85Å; L220-V282 HydrophobicContact CD2-CB 4.12Å; L220-V282 HydrophobicContact CD2-CG2 3.87Å; V258-V282 HydrophobicContact CG1-CG1 4.05Å; N259-V282 WeakPolarHBondContact OD1-CA 3.48Å; L275-V282 HydrophobicContact CD2-CG1 3.79Å; V282-L284 HydrophobicContact CG1-CD2 3.66Å; V282-L284 HydrophobicContact CG1-CG 4.16Å
283	T	84.4	Confident	72.4	Confident	46 Å²	46	55.5 Å²	55.5	28%	0.282	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.1	171.5	-60.7	0	0	0	0	110	S208 N259	S208-T283 WeakPolarHBondContact OG-CG2 3.23Å; N259-T283 PolarHBondContact N-O 2.8Å; N259-T283 PolarHBondContact OD1-N 3.11Å
284	L	87	Confident	70.5	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.3	175.1	-57.6	-178.8	0	0	0	110.1	S208 V209 L211 I222 V255 Q257 V258 L275 V282 I286	S208-L284 CarbonylContact C-O 3.6Å; S208-L284 VanDerWaalsContact CA-O 3.31Å; S208-L284 WeakPolarHBondContact CA-O 3.22Å; V209-L284 PolarHBondContact N-O 3.47Å; V209-L284 PolarHBondContact O-N 2.66Å; L211-L284 HydrophobicContact CD1-CD1 3.68Å; L211-L284 HydrophobicContact CD1-CG 4.37Å; L211-L284 HydrophobicContact CG-CD1 4.46Å; I222-L284 HydrophobicContact CD1-CD1 3.76Å; V255-L284 HydrophobicContact CG1-CD2 4.33Å; Q257-L284 CarbonylContact O-C 3.54Å; Q257-L284 WeakPolarHBondContact O-CA 2.93Å; V258-L284 HydrophobicContact CB-CD2 4.38Å; V258-L284 HydrophobicContact CG1-CD2 4.28Å; V258-L284 HydrophobicContact CG2-CD2 3.78Å; L275-L284 HydrophobicContact CD2-CD2 4.05Å; V282-L284 HydrophobicContact CG1-CD2 3.66Å; V282-L284 HydrophobicContact CG1-CG 4.16Å; L284-I286 HydrophobicContact CB-CG2 4.43Å
285	I	86	Confident	67.9	Low	13 Å²	13	64.9 Å²	64.9	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.1	154.7	-55.7	-173.1	0	0	0	108.4	M1 L206 E207 I256 Q257	M1-I285 HydrophobicContact CB-CD1 4.38Å; M1-I285 HydrophobicContact CE-CB 4.37Å; M1-I285 HydrophobicContact CE-CD1 4.24Å; M1-I285 HydrophobicContact CE-CG2 4.12Å; L206-I285 HydrophobicContact CB-CG2 3.73Å; L206-I285 HydrophobicContact CD1-CG2 4.28Å; L206-I285 HydrophobicContact CD2-CG2 4.12Å; L206-I285 HydrophobicContact CG-CG2 4.25Å; E207-I285 VanDerWaalsContact O-CA 3.3Å; E207-I285 WeakPolarHBondContact O-CA 3.37Å; E207-I285 WeakPolarHBondContact O-CG2 3.49Å; I256-I285 WeakPolarHBondContact CB-O 3.43Å; I256-I285 PolarHBondContact N-O 2.69Å; Q257-I285 HydrophobicContact CB-CB 3.64Å; Q257-I285 HydrophobicContact CB-CD1 4.22Å; Q257-I285 HydrophobicContact CB-CG1 3.88Å; Q257-I285 PolarHBondContact N-O 3.3Å; Q257-I285 VanDerWaalsContact N-O 3.13Å; Q257-I285 PolarHBondContact O-N 3.34Å
286	I	85.1	Confident	65.5	Low	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.8	178.7	51.9	170.6	0	0	0	110.7	L206 E207 V209 D253 E254 V255 L284 R288	L206-I286 WeakPolarHBondContact CA-O 3.46Å; E207-I286 HydrophobicContact CB-CG1 4.42Å; E207-I286 PolarHBondContact N-O 3.45Å; E207-I286 VanDerWaalsContact N-O 3.08Å; E207-I286 PolarHBondContact O-N 2.92Å; V209-I286 HydrophobicContact CG2-CD1 3.84Å; V209-I286 HydrophobicContact CG2-CG1 4.16Å; D253-I286 HydrophobicContact CB-CB 4.34Å; D253-I286 HydrophobicContact CB-CD1 4.37Å; D253-I286 HydrophobicContact CB-CG2 4.49Å; E254-I286 CarbonylContact O-C 3.57Å; E254-I286 WeakPolarHBondContact O-CA 3.25Å; V255-I286 HydrophobicContact CG2-CG2 4.45Å; L284-I286 HydrophobicContact CB-CG2 4.43Å; I286-R288 PolarHBondContact O-N 2.85Å
287	K	77.6	Confident	62.9	Low	32 Å²	32	71.8 Å²	71.8	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	92.7	167.9	179.7	178.1	179.3	171.3	0	108.5	M74 A204 Q205 L206 E254 I256	M74-K287 HydrophobicContact CE-CG 4.46Å; M74-K287 HydrophobicContact SD-CD 3.44Å; M74-K287 WeakPolarHBondContact SD-CD 3.24Å; M74-K287 WeakPolarHBondContact SD-CE 3.24Å; M74-K287 HydrophobicContact SD-CG 3.89Å; A204-K287 HydrophobicContact CB-CG 4.08Å; Q205-K287 WeakPolarHBondContact O-CA 3.39Å; L206-K287 HydrophobicContact CD2-CB 3.88Å; L206-K287 HydrophobicContact CD2-CG 4.4Å; E254-K287 HydrophobicContact CB-CB 4.33Å; E254-K287 PolarHBondContact N-O 2.96Å; E254-K287 PolarHBondContact O-N 2.94Å; E254-K287 WeakPolarHBondContact OE2-CD 3.31Å; I256-K287 HydrophobicContact CD1-CB 3.8Å; I256-K287 HydrophobicContact CD1-CD 4.34Å; I256-K287 HydrophobicContact CG1-CB 3.56Å
288	R	72.8	Confident	60.2	Low	58 Å²	58	70.9 Å²	70.9	22%	0.219	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	160.6	177.5	64.1	108.9	155.9	-73.2	-175.6	110.7	Q205 E207 D253 I286	Q205-R288 PolarHBondContact N-O 2.96Å; Q205-R288 PolarHBondContact O-N 2.69Å; E207-R288 IonicContact OE1-CZ 3.23Å; E207-R288 IonicContact OE1-NH1 2.7Å; E207-R288 PolarHBondContact OE1-NH1 3.07Å; E207-R288 IonicContact OE1-NH2 3.7Å; E207-R288 IonicContact OE2-CZ 2.59Å; E207-R288 VanDerWaalsContact OE2-CZ 3.27Å; E207-R288 IonicContact OE2-NH1 2.81Å; E207-R288 PolarHBondContact OE2-NH1 3.38Å; E207-R288 VanDerWaalsContact OE2-NH1 3.1Å; E207-R288 IonicContact OE2-NH2 3.94Å; E207-R288 PolarHBondContact OE2-NH2 3.21Å; D253-R288 WeakPolarHBondContact OD1-CA 3.09Å; D253-R288 WeakPolarHBondContact OD1-CB 3.49Å; I286-R288 PolarHBondContact O-N 2.85Å
289	I	60	Low	57.9	Low	29 Å²	29	74.5 Å²	74.5	15%	0.149	39%	0.389	C	S	.	.			trans	-120.3	121.7	174.9	-44.1	178.2	0	0	0	108.9	L135 Y139 A204 G291	L135-I289 HydrophobicContact CD1-CD1 3.81Å; Y139-I289 HydrophobicContact CD2-CD1 4.23Å; Y139-I289 HydrophobicContact CE1-CB 4.04Å; Y139-I289 HydrophobicContact CE1-CG2 3.76Å; Y139-I289 HydrophobicContact CE2-CD1 3.53Å; Y139-I289 WeakPolarHBondContact OH-CG2 3.36Å; A204-I289 HydrophobicContact CB-CD1 4.46Å; A204-I289 HydrophobicContact CB-CG1 3.95Å; I289-G291 PolarHBondContact O-N 3.07Å; I289-G291 VanDerWaalsContact O-N 3.11Å
290	P	50	Low	56	Low	31 Å²	31	78.5 Å²	78.5	20%	0.201	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	117.2	-177.4	-23.5	34.4	0	0	0	111.1	H202 T203 Q205	H202-P290 HydrophobicContact CB-CB 4.29Å; H202-P290 HydrophobicContact CB-CG 4.45Å; T203-P290 WeakPolarHBondContact O-CD 3.46Å; Q205-P290 HydrophobicContact CG-CG 4.09Å
291	G	50.9	Low	54.4	Low	31 Å²	31	80.6 Å²	80.6	32%	0.32	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	167.5	-24.9	-172.6	0	0	0	0	0	115	I289 L293	I289-G291 PolarHBondContact O-N 3.07Å; I289-G291 VanDerWaalsContact O-N 3.11Å; G291-L293 PolarHBondContact O-N 3.01Å; G291-L293 VanDerWaalsContact O-N 3.16Å
292	S	47.2	Very low	52	Low	74 Å²	74	84.3 Å²	84.3	52%	0.517	42%	0.423	S	S	.	.			trans	-59	120.4	169	-177.5	0	0	0	0	110.2	L250 R294	L250-S292 VanDerWaalsContact CD1-OG 3.27Å; L250-S292 WeakPolarHBondContact CD1-OG 3.33Å; S292-R294 PolarHBondContact O-N 3.4Å
293	L	41.4	Very low	49.3	Very low	143 Å²	143	89.9 Å²	89.9	75%	0.749	46%	0.459	S	S	*	.			trans	-70.8	97.6	179.8	-81.7	156.2	0	0	0	109	G291 R295	G291-L293 PolarHBondContact O-N 3.01Å; G291-L293 VanDerWaalsContact O-N 3.16Å; L293-R295 PolarHBondContact O-N 3.41Å
294	R	45.6	Very low	46.4	Very low	158 Å²	158	93.6 Å²	93.6	60%	0.596	48%	0.481	S	S	*	.			trans	-62.3	80.5	156	-85.8	-162.1	173.7	-125.8	-0.2	108.8	L247 S292 K296	L247-R294 PolarHBondContact O-NH2 3.21Å; S292-R294 PolarHBondContact O-N 3.4Å; R294-K296 PolarHBondContact O-N 3.03Å
295	R	31.9	Very low	43.7	Very low	204 Å²	204	102.1 Å²	102.1	77%	0.77	52%	0.521	S	S	*	.			trans	-63.6	86.8	159.8	-179.9	-176.4	-85.9	176.2	-8	106.1	L293 H297	L293-R295 PolarHBondContact O-N 3.41Å; R295-H297 VanDerWaalsContact C-N 3.26Å; R295-H297 WeakPolarHBondContact CD-NE2 3.48Å; R295-H297 PolarHBondContact O-N 2.92Å
296	K	31.5	Very low	41	Very low	182 Å²	182	111.1 Å²	111.1	79%	0.791	56%	0.559	S	S	*	*			trans	-58.7	95.6	164.8	-72	-174.4	176.5	-174.8	0	107	R294 S298	R294-K296 PolarHBondContact O-N 3.03Å; K296-S298 VanDerWaalsContact C-N 3.25Å; K296-S298 PolarHBondContact O-N 2.91Å
297	H	27.1	Very low	38.3	Very low	142 Å²	142	120.1 Å²	120.1	66%	0.657	60%	0.601	S	S	*	*			trans	-62.5	100.8	154.1	-86	-94.1	0	0	0	105.6	R295 I299	R295-H297 VanDerWaalsContact C-N 3.26Å; R295-H297 WeakPolarHBondContact CD-NE2 3.48Å; R295-H297 PolarHBondContact O-N 2.92Å; H297-I299 PolarHBondContact O-N 3.39Å
298	S	25.4	Very low	35.9	Very low	91 Å²	91	127.1 Å²	127.1	64%	0.636	64%	0.635	S	S	*	*			trans	-72.3	76.7	172.4	57.5	0	0	0	0	108.3	K296 Q300	K296-S298 VanDerWaalsContact C-N 3.25Å; K296-S298 PolarHBondContact O-N 2.91Å; S298-Q300 PolarHBondContact O-N 2.87Å
299	I	28.6	Very low	33.8	Very low	136 Å²	136	132.6 Å²	132.6	70%	0.697	66%	0.663	S	S	*	*			trans	-64.3	92.1	158.8	-65.2	176.9	0	0	0	105.1	H297 I301	H297-I299 PolarHBondContact O-N 3.39Å; I299-I301 HydrophobicContact CG2-CD1 3.77Å; I299-I301 HydrophobicContact CG2-CG1 3.85Å; I299-I301 PolarHBondContact O-N 2.83Å
300	Q	26.1	Very low	32.3	Very low	158 Å²	158	136.7 Å²	136.7	74%	0.738	68%	0.681	S	S	*	*			trans	-73.9	82.2	175.2	-66.7	-172.6	21.6	0	0	108.5	S298 T302	S298-Q300 PolarHBondContact O-N 2.87Å; Q300-T302 PolarHBondContact O-N 3.01Å; Q300-T302 VanDerWaalsContact O-N 3.11Å
301	I	27.4	Very low	31.3	Very low	144 Å²	144	144.3 Å²	144.3	74%	0.738	71%	0.706	S	S	*	*			trans	-80.4	84.1	160.6	-68.9	159.1	0	0	0	106.6	I299	I299-I301 HydrophobicContact CG2-CD1 3.77Å; I299-I301 HydrophobicContact CG2-CG1 3.85Å; I299-I301 PolarHBondContact O-N 2.83Å
302	T	23.2	Very low	30.2	Very low	95 Å²	95	154.5 Å²	154.5	58%	0.583	74%	0.735	S	S	*	*			trans	-65.9	125.4	167	-42.9	0	0	0	0	107.8	Q300 V304	Q300-T302 PolarHBondContact O-N 3.01Å; Q300-T302 VanDerWaalsContact O-N 3.11Å; T302-V304 VanDerWaalsContact C-N 3.34Å; T302-V304 PolarHBondContact O-N 2.93Å
303	P	25.6	Very low	29.3	Very low	120 Å²	120	154.3 Å²	154.3	78%	0.779	75%	0.745	S	S	*	*			trans	-75.4	86.2	-178.5	30.1	-34.5	0	0	0	110.5	Q305	P303-Q305 PolarHBondContact O-N 2.61Å
304	V	25	Very low	28.5	Very low	124 Å²	124	153.2 Å²	153.2	75%	0.752	75%	0.749	S	S	*	*			trans	-76.8	105.5	174.9	177.6	0	0	0	0	109.2	T302	T302-V304 VanDerWaalsContact C-N 3.34Å; T302-V304 PolarHBondContact O-N 2.93Å
305	Q	29.8	Very low	27.6	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	75%	0.746	S	S	*	*			trans	-71.1	153.5	156.7	-68.6	-176.7	-24.2	0	0	109.2	P303	P303-Q305 PolarHBondContact O-N 2.61Å
306	K	28.7	Very low	27.5	Very low	201 Å²	201	146.3 Å²	146.3	87%	0.874	75%	0.745	S	S	*	*			trans	-50.6	141.8	-174.2	-57	173.5	178.3	-179.2	0	113
307	E	27.6	Very low	27.4	Very low	189 Å²	189	145.9 Å²	145.9	88%	0.883	75%	0.746	S	S	*	*				-162.8	-171.7	122.6	-108	159.6	-148.9	0	0	110.1
308	E	28.6	Very low	27.6	Very low	180 Å²	180	147.9 Å²	147.9	84%	0.841	76%	0.756	S	S	*	*			trans	-109.9	164.6	-143.1	-60.2	176.9	123	0	0	116.6
309	E	27.5	Very low	27.8	Very low	172 Å²	172	151.6 Å²	151.6	80%	0.804	76%	0.763	S	S	*	*			trans	75.4	138.5	145.4	-92	-165.5	150.7	0	0	125
310	E	28.4	Very low	28.5	Very low	115 Å²	115	149.9 Å²	149.9	54%	0.537	76%	0.761	S	S	.	*			trans	73.2	112.2	140.4	-65.2	-120.7	108.8	0	0	124.5
311	R	30.3	Very low	28.7	Very low	191 Å²	191	150 Å²	150	72%	0.721	76%	0.761	S	S	*	*				83.2	113.9	127.9	-68.9	-179.6	-173.9	162.6	23	123.3
312	R	27.9	Very low	28.8	Very low	245 Å²	245	148.1 Å²	148.1	93%	0.925	75%	0.753	S	S	*	*				53.7	128.2	123.1	-73.2	178.4	161.1	-100.1	1.1	121.5
313	G	27.5	Very low	29.2	Very low	70 Å²	70	151.6 Å²	151.6	72%	0.722	76%	0.76	S	S	*	*			trans	139.8	127.5	162.9	0	0	0	0	0	109.3
314	S	24.8	Very low	29.4	Very low	120 Å²	120	154.8 Å²	154.8	84%	0.839	76%	0.764	S	S	*	*			cis	65	125.6	31.6	-147.8	0	0	0	0	112.8
315	S	26.7	Very low	29.6	Very low	77 Å²	77	157.1 Å²	157.1	54%	0.538	77%	0.767	S	S	.	*			cis	-171.7	166.1	-10	46.6	0	0	0	0	110
316	D	30.7	Very low	29.5	Very low	140 Å²	140	154.1 Å²	154.1	75%	0.749	76%	0.757	S	S	*	*			trans	61.9	167.3	156	-41	-37.1	0	0	0	117.4
317	E	29.4	Very low	29.6	Very low	173 Å²	173	151.9 Å²	151.9	81%	0.808	75%	0.749	S	S	*	*			cis	-152.1	-158.8	-41	-109	-160.8	171.1	0	0	107
318	E	30.6	Very low	29.7	Very low	184 Å²	184	152.4 Å²	152.4	86%	0.86	74%	0.743	S	S	*	*			trans	76.6	82.9	159	-55.3	-168.3	168.6	0	0	119.6
319	E	28.9	Very low	29.5	Very low	170 Å²	170	152.8 Å²	152.8	79%	0.794	74%	0.744	S	S	*	*				-55.2	160	123.7	-78.8	-88.9	168.5	0	0	109.8
320	P	43.5	Very low	29.6	Very low	100 Å²	100	148.7 Å²	148.7	65%	0.649	74%	0.735	S	S	*	*			cis	-152.1	-176.3	37.7	41.6	-19.1	0	0	0	119
321	E	29.8	Very low	29.7	Very low	160 Å²	160	150 Å²	150	75%	0.748	74%	0.744	S	S	*	*			trans	84.6	122.1	137.2	-94.8	172.4	-155.2	0	0	122.7
322	D	29.4	Very low	29.6	Very low	104 Å²	104	149.3 Å²	149.3	56%	0.556	75%	0.747	S	S	*	*				100.8	106.9	124.9	-92.7	0.1	0	0	0	123.9
323	K	31.8	Very low	29.6	Very low	169 Å²	169	144.5 Å²	144.5	74%	0.735	74%	0.735	S	S	*	*				86	141	125	-74.8	173.7	179.4	82	0	121.5
324	E	30.6	Very low	29.7	Very low	186 Å²	186	153.2 Å²	153.2	87%	0.869	75%	0.746	S	S	*	*			trans	-69.3	150.7	-177.9	-50.3	161.2	109.8	0	0	112.2
325	E	29.5	Very low	29.8	Very low	174 Å²	174	153.7 Å²	153.7	81%	0.813	74%	0.743	S	S	*	*				-162.3	167.9	110.6	-120.4	-149.3	103.5	0	0	116.3
326	N	26.8	Very low	29.8	Very low	117 Å²	117	154.7 Å²	154.7	63%	0.626	76%	0.756	S	S	*	*			trans	-28.7	136.1	-176.3	-84.4	-63.9	0	0	0	122.4
327	Q	31	Very low	29.6	Very low	153 Å²	153	152.6 Å²	152.6	72%	0.715	76%	0.758	S	S	*	*			trans	-4.5	134.1	132.1	-52	175.6	3.5	0	0	117.7
328	R	29	Very low	29.4	Very low	200 Å²	200	149.6 Å²	149.6	76%	0.755	76%	0.756	S	S	*	*				173.8	142.1	106.1	-97.9	168.5	-171.5	-173.6	3.7	115.8
329	H	26.1	Very low	29.2	Very low	188 Å²	188	146.4 Å²	146.4	87%	0.87	75%	0.749	S	S	*	*			trans	62.3	163.2	155.7	-54	-43.3	0	0	0	118.6
330	S	27.9	Very low	29.1	Very low	87 Å²	87	149 Å²	149	61%	0.608	75%	0.752	S	S	*	*			cis	-179.9	113.5	-38.4	172.4	0	0	0	0	109.1
331	I	32.1	Very low	28.2	Very low	141 Å²	141	148.6 Å²	148.6	72%	0.723	75%	0.751	S	S	*	*			trans	56.7	119.7	154	-54.9	169.2	0	0	0	118.6
332	F	27.4	Very low	28	Very low	178 Å²	178	148.1 Å²	148.1	78%	0.781	75%	0.753	S	S	*	*				176.5	95.8	125.3	-102.4	-76	0	0	0	107.4
333	E	27.9	Very low	27.8	Very low	143 Å²	143	147.6 Å²	147.6	67%	0.668	76%	0.757	S	S	*	*				68	112.3	98.6	-167.1	-177.8	-164.6	0	0	115.2
334	R	29.8	Very low	27.5	Very low	254 Å²	254	148.6 Å²	148.6	96%	0.958	76%	0.762	S	S	*	*			trans	-142.4	148	147.5	-79.9	-166	179.8	155.1	4.6	110.2
335	V	27.5	Very low	27.3	Very low	129 Å²	129	150.9 Å²	150.9	78%	0.782	76%	0.763	S	S	*	*			trans	-110.8	142.4	-168.3	173.2	0	0	0	0	111.3
336	A	26.5	Very low	27.3	Very low	98 Å²	98	153.8 Å²	153.8	81%	0.81	77%	0.766	S	S	*	*			trans	-151.6	156	157	0	0	0	0	0	112
337	A	26.1	Very low	27.4	Very low	96 Å²	96	152.6 Å²	152.6	79%	0.793	77%	0.773	S	S	*	*			trans	-67	175	-175.2	0	0	0	0	0	113.6
338	S	25.3	Very low	27.2	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	77%	0.774	S	S	*	*			cis	-161	-176.3	32.9	-160.3	0	0	0	0	115.1
339	V	25.5	Very low	27.2	Very low	117 Å²	117	150.4 Å²	150.4	71%	0.709	78%	0.779	S	S	*	*			trans	-130.4	148.7	-164.5	-176.7	0	0	0	0	111.8
340	R	27.8	Very low	27.1	Very low	225 Å²	225	144.1 Å²	144.1	85%	0.849	77%	0.765	S	S	*	*			trans	130.3	153.7	155.3	-75.8	178.8	-171.8	93.1	-4.7	113.8
341	S	24.5	Very low	27.7	Very low	92 Å²	92	146.1 Å²	146.1	64%	0.643	78%	0.776	S	S	*	*			cis	-175.8	146	-17.4	177.2	0	0	0	0	113.3
342	L	24.7	Very low	27.5	Very low	150 Å²	150	147.6 Å²	147.6	79%	0.785	78%	0.78	S	S	*	*			trans	41.8	107.6	147.9	-64.5	170.3	0	0	0	123.3
343	S	26.2	Very low	27.5	Very low	92 Å²	92	144.2 Å²	144.2	64%	0.643	77%	0.774	S	S	*	*				32.9	152.3	113.1	70.3	0	0	0	0	125.5
344	F	25.8	Very low	27.2	Very low	190 Å²	190	147.2 Å²	147.2	83%	0.833	78%	0.779	S	S	*	*			trans	118	148.3	132.3	-114.8	-79.3	0	0	0	121.2
345	R	26.8	Very low	26.9	Very low	234 Å²	234	142 Å²	142	88%	0.883	77%	0.765	S	S	*	*			trans	87	143.5	171.6	-54.4	-177.9	-175.9	-125.9	-0.1	116.8
346	R	28.8	Very low	26.8	Very low	235 Å²	235	144 Å²	144	89%	0.887	77%	0.766	S	S	*	*			cis	115.6	104.2	-2.5	-171.4	-170	-166.2	177.8	7.9	116.5
347	A	27.8	Very low	27.3	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	76%	0.762	S	S	*	*			trans	-179.8	120.2	143.6	0	0	0	0	0	109.6
348	V	28.6	Very low	27.3	Very low	123 Å²	123	147.8 Å²	147.8	75%	0.745	76%	0.762	S	S	*	*				73.5	106.5	82.1	178	0	0	0	0	115.6
349	H	27.6	Very low	27.4	Very low	184 Å²	184	145.6 Å²	145.6	85%	0.852	76%	0.757	S	S	*	*				-166.9	151	114.4	-117.6	-73.2	0	0	0	113.7
350	G	24.9	Very low	27.5	Very low	56 Å²	56	147 Å²	147	58%	0.577	76%	0.756	S	S	*	*			trans	-143	171.4	165.6	0	0	0	0	0	110.2
351	P	40.7	Very low	27.4	Very low	130 Å²	130	143.6 Å²	143.6	84%	0.844	75%	0.749	S	S	*	*				-142.7	-160.5	126.3	31.5	-12.3	0	0	0	111.5
352	E	26.6	Very low	27.5	Very low	171 Å²	171	147 Å²	147	80%	0.799	76%	0.755	S	S	*	*				-171.1	160.1	-69.3	-135.3	-176.3	102	0	0	106.4
353	V	27	Very low	27.7	Very low	108 Å²	108	144 Å²	144	66%	0.655	75%	0.747	S	S	*	*			cis	-128.6	-126.7	7.5	-152.4	0	0	0	0	109.1
354	R	22.6	Very low	27.5	Very low	205 Å²	205	148.5 Å²	148.5	77%	0.774	76%	0.758	S	S	*	*			cis	-145.1	111.6	-1.7	-172.3	160.6	-172.3	161.6	7	115
355	Q	24.5	Very low	27.2	Very low	144 Å²	144	147.1 Å²	147.1	67%	0.673	76%	0.758	S	S	*	*			trans	56.3	109.3	142.5	-66.9	173	-18.3	0	0	122.5
356	Q	23.5	Very low	27.7	Very low	172 Å²	172	141.3 Å²	141.3	80%	0.804	75%	0.751	S	S	*	*			trans	-59.8	179.4	145.7	-141.8	178.3	58.8	0	0	112.2
357	P	37.7	Very low	27.4	Very low	110 Å²	110	134.8 Å²	134.8	71%	0.714	74%	0.741	S	S	*	*				-157.2	155.7	81.7	40.3	-20.1	0	0	0	119.8
358	M	26.6	Very low	27.3	Very low	163 Å²	163	137 Å²	137	80%	0.803	74%	0.74	S	S	*	*			trans	45.2	150.7	144.6	-58.7	-160.1	-58.9	0	0	122.7
359	G	27	Very low	27.1	Very low	64 Å²	64	142.4 Å²	142.4	66%	0.66	75%	0.747	S	S	*	*			cis	-143.3	-151.1	11.3	0	0	0	0	0	112.4
360	Q	27	Very low	27.1	Very low	147 Å²	147	141 Å²	141	69%	0.687	74%	0.741	S	S	*	*			cis	177.6	161.2	-16.3	-93.8	166.2	-98.5	0	0	104.7
361	E	27.3	Very low	27.1	Very low	153 Å²	153	145.9 Å²	145.9	72%	0.715	75%	0.749	S	S	*	*			cis	-169.8	164.9	-12.1	-96.3	161.2	165.8	0	0	105.6
362	E	25.6	Very low	26.5	Very low	163 Å²	163	148.5 Å²	148.5	76%	0.762	75%	0.75	S	S	*	*			cis	-154.8	161.7	0.6	-130.7	-153.8	112.7	0	0	112.2
363	S	29.6	Very low	26.4	Very low	88 Å²	88	152.4 Å²	152.4	62%	0.615	76%	0.757	S	S	*	*			trans	30.5	128.8	139.8	-56.4	0	0	0	0	125.8
364	E	20.9	Very low	26.4	Very low	187 Å²	187	153.5 Å²	153.5	87%	0.874	76%	0.764	S	S	*	*				-177	173.7	92	-87.6	-155	143.9	0	0	113.4
365	L	21	Very low	26.6	Very low	161 Å²	161	149.7 Å²	149.7	84%	0.843	76%	0.763	S	S	*	*			trans	-137.2	-168.8	-172	-79.6	170.4	0	0	0	110
366	P	36.5	Very low	26.5	Very low	112 Å²	112	149.4 Å²	149.4	73%	0.727	77%	0.772	S	S	*	*			cis	-116.9	-178.9	-9	18.5	7.8	0	0	0	112.4
367	S	23.2	Very low	26.7	Very low	97 Å²	97	148.8 Å²	148.8	68%	0.678	77%	0.773	S	S	*	*			cis	108.8	148.7	26.8	115.1	0	0	0	0	116.1
368	D	25.2	Very low	25.9	Very low	140 Å²	140	148 Å²	148	75%	0.749	78%	0.776	S	S	*	*			trans	72.2	108.8	165.3	-67.4	35.6	0	0	0	121.7
369	R	25.5	Very low	25.8	Very low	236 Å²	236	143.7 Å²	143.7	89%	0.891	77%	0.766	S	S	*	*				-165.5	169.7	87.7	-98.4	-169.1	179.3	-152.1	-3.4	114.3
370	E	26.4	Very low	25.8	Very low	154 Å²	154	150 Å²	150	72%	0.72	78%	0.776	S	S	*	*			trans	-71.4	170.8	-170.6	-49.8	174.1	105.7	0	0	113.1
371	Q	24.9	Very low	25.8	Very low	158 Å²	158	150.6 Å²	150.6	74%	0.738	78%	0.779	S	S	*	*			cis	-169.6	160.4	44.9	-142.3	110.6	52.2	0	0	113.1
372	E	28.1	Very low	25.7	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	78%	0.781	S	S	*	*			trans	-101	145.6	163.9	-67.3	-173.1	124.8	0	0	112.3
373	R	25.6	Very low	25.6	Very low	253 Å²	253	153.7 Å²	153.7	96%	0.955	79%	0.787	S	S	*	*			trans	-172.4	157.7	138.2	-111.1	169.7	-174.2	171.2	3.7	114.4
374	T	26.1	Very low	26.4	Very low	131 Å²	131	155.3 Å²	155.3	80%	0.804	80%	0.796	S	S	*	*			trans	-110	151.9	-171.7	-27.8	0	0	0	0	112.6
375	V	27.2	Very low	26.5	Very low	125 Å²	125	149.5 Å²	149.5	76%	0.758	79%	0.786	S	S	*	*			trans	68.3	124.6	166.7	-166.5	0	0	0	0	117.3
376	T	21.5	Very low	26.9	Very low	138 Å²	138	152.9 Å²	152.9	85%	0.847	79%	0.788	S	S	*	*			trans	-143.8	134.1	140.9	-42.5	0	0	0	0	109.1
377	L	27.9	Very low	26.5	Very low	159 Å²	159	154 Å²	154	83%	0.832	79%	0.787	S	S	*	*			trans	-126.1	123.2	166.8	-169.9	158.5	0	0	0	106.6
378	A	22.1	Very low	26.5	Very low	94 Å²	94	154.4 Å²	154.4	78%	0.777	79%	0.79	S	S	*	*			trans	-135.5	154.5	-178.3	0	0	0	0	0	110
379	A	24.6	Very low	27.4	Very low	72 Å²	72	153 Å²	153	60%	0.595	79%	0.788	S	S	*	*			trans	-135.1	-168.6	-164.4	0	0	0	0	0	112.7
380	F	26.1	Very low	27.3	Very low	197 Å²	197	149.6 Å²	149.6	86%	0.864	79%	0.787	S	S	*	*			trans	78.9	145.3	179.7	-50.7	-74.8	0	0	0	114
381	Q	26.1	Very low	28.5	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	79%	0.786	S	S	*	*			cis	-150.9	159.8	25.8	-148.3	171.4	88.9	0	0	114.3
382	N	24.9	Very low	28.5	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	79%	0.786	S	S	*	*			trans	87.1	151.4	160.8	-60.3	-39.6	0	0	0	122.2
383	R	25.3	Very low	28.4	Very low	237 Å²	237	140.7 Å²	140.7	89%	0.894	78%	0.782	S	S	*	*			trans	-156.2	-175	-169.8	-123.2	-169.1	173.4	-172.3	0.4	106
384	P	44.8	Very low	28.5	Very low	123 Å²	123	135.1 Å²	135.1	80%	0.799	78%	0.776	S	S	*	*			cis	-123.1	-172.7	-7.9	38.5	-20.1	0	0	0	112.7
385	G	23.8	Very low	28.6	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	77%	0.768	S	S	*	*			cis	155.9	-175.9	-9.3	0	0	0	0	0	113.5
386	R	29.9	Very low	28.5	Very low	232 Å²	232	135.5 Å²	135.5	88%	0.875	77%	0.774	S	S	*	*			trans	69	144.3	174.5	-78.3	-164.9	157.1	-149.6	-4.6	117.2
387	L	26.5	Very low	28.7	Very low	136 Å²	136	134.1 Å²	134.1	71%	0.712	77%	0.77	S	S	*	*			cis	-149.7	165.5	0.4	-111.2	177	0	0	0	111.7
388	S	24.3	Very low	28.7	Very low	105 Å²	105	132 Å²	132	73%	0.734	77%	0.768	S	S	*	*			trans	-98.4	-168.2	171	-30.3	0	0	0	0	111.1
389	P	44.4	Very low	28.9	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	77%	0.774	S	S	*	*			cis	-155.5	153.8	34.9	42.7	-19.3	0	0	0	122.2
390	L	23.5	Very low	28.9	Very low	166 Å²	166	134.8 Å²	134.8	87%	0.869	77%	0.774	S	S	*	*			trans	54.5	-167.6	136.8	-59.1	167.7	0	0	0	120
391	P	50.4	Low	28.9	Very low	109 Å²	109	130 Å²	130	71%	0.708	77%	0.765	S	S	*	*				-140.1	169.4	-97.4	44.8	-26	0	0	0	119.3
392	A	25.2	Very low	28.9	Very low	88 Å²	88	133 Å²	133	73%	0.727	77%	0.769	S	S	*	*			trans	59.2	142	142.8	0	0	0	0	0	124.9
393	S	25.5	Very low	29	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	78%	0.775	S	S	*	*			trans	103.1	151.1	136.8	77	0	0	0	0	122.9
394	V	28.3	Very low	29.4	Very low	136 Å²	136	127.9 Å²	127.9	82%	0.824	77%	0.767	S	S	*	*			trans	90	118.1	158.2	-169.7	0	0	0	0	121.7
395	A	27.7	Very low	29.4	Very low	78 Å²	78	126.9 Å²	126.9	65%	0.645	76%	0.761	S	S	*	*			trans	56.6	126.7	143.5	0	0	0	0	0	126
396	E	25.7	Very low	29.7	Very low	185 Å²	185	130.2 Å²	130.2	86%	0.864	76%	0.763	S	S	*	*				53.5	156.7	120.5	-57.7	-166.8	125.3	0	0	125.8
397	S	26.3	Very low	29.7	Very low	109 Å²	109	125.7 Å²	125.7	76%	0.762	76%	0.756	S	S	*	*			trans	94.1	98.8	153.9	73.9	0	0	0	0	120.6
398	S	28.2	Very low	30	Very low	116 Å²	116	128 Å²	128	81%	0.811	76%	0.755	S	S	*	*				56.3	122.6	115.4	-54.7	0	0	0	0	123.6
399	D	25.8	Very low	30.5	Very low	166 Å²	166	131.3 Å²	131.3	89%	0.888	75%	0.751	S	S	*	*			trans	75	173.4	135.6	-154.5	6.2	0	0	0	118.2
400	G	25	Very low	29.7	Very low	58 Å²	58	131.6 Å²	131.6	60%	0.598	75%	0.747	S	S	*	*			trans	131.7	24.3	144.1	0	0	0	0	0	121.4
401	S	26.3	Very low	30.1	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	74%	0.743	S	S	*	*			trans	60.3	140.2	151.8	-75.7	0	0	0	0	122.5
402	R	26.1	Very low	29.1	Very low	222 Å²	222	133.5 Å²	133.5	84%	0.838	75%	0.745	S	S	*	*			trans	41.2	125.2	134	-48.4	170.2	-178.8	-168.3	-0.3	118.4
403	L	26.3	Very low	30.3	Very low	168 Å²	168	135.2 Å²	135.2	88%	0.88	75%	0.749	S	S	*	*				-174.8	146.2	78.6	-90.2	172.7	0	0	0	112.2
404	S	33	Very low	30.3	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	75%	0.749	S	S	*	*			trans	-80	170.9	159	-32	0	0	0	0	110
405	P	45.9	Very low	31.3	Very low	102 Å²	102	133.7 Å²	133.7	66%	0.662	74%	0.742	S	S	*	*				-163.3	176.2	66.8	44.2	-22.4	0	0	0	120.1
406	N	28.6	Very low	31.3	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	75%	0.752	S	S	*	*			trans	70.6	153.6	157.2	-61.2	-49.7	0	0	0	117.5
407	L	30.1	Very low	31.2	Very low	137 Å²	137	137.3 Å²	137.3	72%	0.717	75%	0.748	S	S	*	*			cis	-138.8	131.2	27.3	-76.7	164.4	0	0	0	111.2
408	R	32.5	Very low	32.1	Very low	185 Å²	185	138.2 Å²	138.2	70%	0.698	75%	0.752	S	S	*	*				72.8	141.5	100.2	-74.6	-169.9	-171.5	-179.5	3.4	117.3
409	R	35	Very low	32	Very low	173 Å²	173	137.9 Å²	137.9	65%	0.653	75%	0.749	S	S	*	*			cis	-171.5	174.3	-8.4	-154.8	-165.3	-105	165.1	-12.3	111.9
410	D	28.9	Very low	32.9	Very low	116 Å²	116	134.6 Å²	134.6	62%	0.62	74%	0.737	S	S	*	*			trans	85.4	146.2	144.9	-82.1	-27.3	0	0	0	119.6
411	R	31.3	Very low	32.9	Very low	207 Å²	207	140.3 Å²	140.3	78%	0.781	75%	0.746	S	S	*	*			cis	-169.5	103.6	-12.4	-172.8	172.3	178	-164.5	-0.8	116.8
412	S	28.8	Very low	32.7	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	75%	0.749	S	S	*	*			trans	65.6	178.9	138.2	-48.5	0	0	0	0	119.4
413	P	50.4	Low	32.6	Very low	125 Å²	125	141.9 Å²	141.9	81%	0.812	75%	0.749	S	S	*	*			cis	-129.9	-173	-1.2	42.3	-24	0	0	0	117.3
414	S	27.2	Very low	32.4	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	74%	0.742	S	S	*	*			trans	-108.3	-155.2	-174.5	-36.5	0	0	0	0	112.3
415	P	48	Very low	31.9	Very low	104 Å²	104	138.8 Å²	138.8	68%	0.675	74%	0.742	S	S	*	*			cis	-159.3	-176.5	33.7	48.3	-25.3	0	0	0	122
416	R	27	Very low	30.9	Very low	226 Å²	226	141.7 Å²	141.7	85%	0.853	75%	0.746	S	S	*	*			trans	78.7	105.4	149.4	-73	157.9	-158.3	-114.8	2.5	124.7
417	S	24.3	Very low	30.8	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	75%	0.751	S	S	*	*				43.9	160.8	103	-49.9	0	0	0	0	123.6
418	P	46.2	Very low	30.5	Very low	128 Å²	128	143.6 Å²	143.6	83%	0.831	75%	0.749	S	S	*	*			cis	-138.2	-158.3	-11.7	35.5	-10.7	0	0	0	116.8
419	S	26.4	Very low	30.2	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	75%	0.751	S	S	*	*			trans	-87	-165.2	-173.7	57.6	0	0	0	0	115.4
420	P	42.8	Very low	29.9	Very low	97 Å²	97	138.4 Å²	138.4	63%	0.63	76%	0.761	S	S	*	*			cis	-155.6	-172.3	22.8	48.7	-26.4	0	0	0	121.8
421	F	25.6	Very low	29.7	Very low	178 Å²	178	138.1 Å²	138.1	78%	0.781	77%	0.768	S	S	*	*			trans	54.4	163.7	152	-65.7	-54.1	0	0	0	122.5
422	E	22.5	Very low	29.3	Very low	159 Å²	159	134 Å²	134	74%	0.743	77%	0.77	S	S	*	*			cis	-165.2	153.7	-41.3	-151.9	170.7	-132.2	0	0	112.7
423	F	23.1	Very low	29.2	Very low	192 Å²	192	134.3 Å²	134.3	84%	0.842	77%	0.772	S	S	*	*			trans	47.1	137.7	157.3	-114.2	-114	0	0	0	127.2
424	S	22.9	Very low	28.7	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	77%	0.772	S	S	*	*			trans	104.4	127.6	138.2	76.1	0	0	0	0	125.1
425	S	23.4	Very low	28.6	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	77%	0.77	S	S	*	*			trans	58.4	125.7	140.4	-70.7	0	0	0	0	128.4
426	E	23.8	Very low	27.5	Very low	162 Å²	162	139.4 Å²	139.4	76%	0.757	78%	0.781	S	S	*	*				82.7	123.8	127.8	-69.8	-164.4	107.8	0	0	126.9
427	R	25.7	Very low	27.6	Very low	216 Å²	216	134.6 Å²	134.6	82%	0.815	78%	0.776	S	S	*	*			trans	55.5	104.4	133.4	-74.8	-173.3	171.1	-143.8	-1	124.1
428	S	25.1	Very low	27.7	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	77%	0.773	S	S	*	*				69.1	109	118.6	69.9	0	0	0	0	124.2
429	S	26.3	Very low	26.7	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	78%	0.775	S	S	*	*				88.9	156.5	115.4	-60.1	0	0	0	0	123.4
430	V	27.7	Very low	27.1	Very low	143 Å²	143	136.2 Å²	136.2	87%	0.867	78%	0.776	S	S	*	*			trans	75.7	151.5	167.3	-33.3	0	0	0	0	117.3
431	S	25.6	Very low	26.2	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	78%	0.778	S	S	*	*			cis	-150.8	146.3	2.8	60.2	0	0	0	0	113.4
432	S	23.1	Very low	26.2	Very low	119 Å²	119	134 Å²	134	83%	0.832	77%	0.774	S	S	*	*			trans	-167.9	119.9	138.6	-169.3	0	0	0	0	111.3
433	C	25.7	Very low	26.6	Very low	116 Å²	116	133.6 Å²	133.6	78%	0.784	77%	0.77	S	S	*	*			trans	-137.9	170.5	174.4	-60.7	0	0	0	0	109
434	P	40.8	Very low	26.9	Very low	127 Å²	127	131.1 Å²	131.1	83%	0.825	76%	0.761	S	S	*	*				-140.7	175.1	95.2	38.5	-25.1	0	0	0	115
435	D	25.1	Very low	27.1	Very low	137 Å²	137	130 Å²	130	73%	0.733	75%	0.75	S	S	*	*			trans	-75.6	157.4	-167.7	-56.9	-91.8	0	0	0	117.2
436	M	25.2	Very low	27.3	Very low	184 Å²	184	133.6 Å²	133.6	91%	0.906	75%	0.752	S	S	*	*				-147.9	137	119.4	-87.4	-132.8	68.1	0	0	110.8
437	V	29.4	Very low	27.8	Very low	125 Å²	125	135 Å²	135	76%	0.758	76%	0.756	S	S	*	*			trans	-103.2	136.3	176.7	174.7	0	0	0	0	109.8
438	G	25.1	Very low	27.7	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	76%	0.758	S	S	*	*			trans	-163.5	134.7	178.3	0	0	0	0	0	113.5
439	H	25.6	Very low	27.9	Very low	188 Å²	188	131 Å²	131	87%	0.87	76%	0.761	S	S	*	*			trans	-73.5	155.1	-172.2	-85.6	-98.7	0	0	0	115.4
440	T	34.1	Very low	28.1	Very low	127 Å²	127	136.1 Å²	136.1	78%	0.779	77%	0.77	S	S	*	*			trans	-53.3	137.5	165.3	52.2	0	0	0	0	114.5
441	S	24.5	Very low	28.2	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	77%	0.765	S	S	*	*				172.8	156.5	129.8	57.4	0	0	0	0	114.1
442	N	24.6	Very low	28.3	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	76%	0.76	S	S	*	*			trans	67.5	150.8	152.9	-66	-35.8	0	0	0	118.9
443	K	31.7	Very low	28.7	Very low	151 Å²	151	138.4 Å²	138.4	66%	0.657	76%	0.762	S	S	*	*			cis	-159.2	146.5	-6.7	-121.9	167	-176.4	-93.2	0	112.8
444	E	30.5	Very low	28.8	Very low	140 Å²	140	135.3 Å²	135.3	65%	0.654	74%	0.742	S	S	*	*				33.2	152	129.3	-67.6	-174.4	132.4	0	0	122.2
445	T	26.4	Very low	28.6	Very low	81 Å²	81	134.3 Å²	134.3	50%	0.497	73%	0.733	S	S	.	*			cis	-166.8	176.7	5.9	22.4	0	0	0	0	107.6
446	K	26.9	Very low	29	Very low	179 Å²	179	131.2 Å²	131.2	78%	0.778	73%	0.727	S	S	*	*			cis	-136.3	161.8	18.2	-71.7	79.9	-167.4	147.9	0	108
447	K	35.1	Very low	29.7	Very low	192 Å²	192	127.1 Å²	127.1	84%	0.835	71%	0.708	S	S	*	*			cis	84.6	103.9	22.8	-146.2	-177.9	-162.6	177.1	0	116.4
448	S	23.7	Very low	30.3	Very low	124 Å²	124	124.3 Å²	124.3	87%	0.867	69%	0.694	S	S	*	*			trans	-144.5	146.8	141.4	86.5	0	0	0	0	110.2
449	S	28.7	Very low	31.1	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	70%	0.695	S	S	*	*			trans	-150.7	147.9	-179.5	170.4	0	0	0	0	107.9
450	K	29.8	Very low	32.2	Very low	215 Å²	215	129 Å²	129	94%	0.935	68%	0.683	S	S	*	*			trans	-120.8	135.2	160	-73.1	-172.5	176.3	-178.7	0	108.3
451	K	31.1	Very low	33.2	Very low	177 Å²	177	131.6 Å²	131.6	77%	0.77	68%	0.678	S	S	*	*			trans	-126.3	113.7	-171	174.8	-174.4	174.7	-170.8	0	108.3
452	G	27	Very low	35.1	Very low	64 Å²	64	128.3 Å²	128.3	66%	0.66	65%	0.654	S	S	*	*			trans	-76.3	155.4	160.8	0	0	0	0	0	110.4
453	M	31.8	Very low	37.1	Very low	179 Å²	179	122.9 Å²	122.9	88%	0.882	63%	0.626	S	S	*	*			trans	-74.4	132.4	-175.2	-155	74.7	90.2	0	0	111.3
454	S	28.9	Very low	38.9	Very low	50 Å²	50	116.6 Å²	116.6	35%	0.35	60%	0.601	S	S	.	*			trans	-145.6	149.5	151.3	94.9	0	0	0	0	107.6	R459	S454-R459 PolarHBondContact OG-NE 2.66Å; S454-R459 VanDerWaalsContact OG-NE 3.08Å; S454-R459 PolarHBondContact OG-NH2 3.38Å
455	T	36	Very low	40.7	Very low	106 Å²	106	118.6 Å²	118.6	65%	0.65	60%	0.602	S	S	*	*			trans	-64.7	148.7	-175.9	49.7	0	0	0	0	111.6	L457	T455-L457 VanDerWaalsContact C-N 3.31Å; T455-L457 PolarHBondContact O-N 3.03Å
456	A	33.9	Very low	42.9	Very low	72 Å²	72	120.1 Å²	120.1	60%	0.595	61%	0.607	S	S	*	*	S	Bend	trans	-87.2	10.4	-159.2	0	0	0	0	0	115.6	R460	A456-R460 PolarHBondContact O-NE 2.85Å; A456-R460 PolarHBondContact O-NH2 3.07Å
457	L	40.1	Very low	45	Very low	98 Å²	98	112.1 Å²	112.1	51%	0.513	57%	0.573	S	S	.	*	S	Bend	trans	-104.7	-51.2	-177	-61.7	178.2	0	0	0	111.9	T455 R459 R460	T455-L457 VanDerWaalsContact C-N 3.31Å; T455-L457 PolarHBondContact O-N 3.03Å; L457-R459 PolarHBondContact O-N 2.95Å; L457-R460 WeakPolarHBondContact O-CB 3.42Å; L457-R460 WeakPolarHBondContact O-CG 3.44Å; L457-R460 PolarHBondContact O-N 2.9Å
458	S	41	Very low	46	Very low	67 Å²	67	106.4 Å²	106.4	47%	0.469	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-49.5	-19.4	-178.4	169.6	0	0	0	0	116.5	E587	S458-E587 WeakPolarHBondContact CA-OE1 3.32Å
459	R	41.4	Very low	47.9	Very low	192 Å²	192	108.1 Å²	108.1	73%	0.725	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	0.4	177.7	-55.9	-170.8	-168.3	-140.1	0.5	114.7	S454 L457	S454-R459 PolarHBondContact OG-NE 2.66Å; S454-R459 VanDerWaalsContact OG-NE 3.08Å; S454-R459 PolarHBondContact OG-NH2 3.38Å; L457-R459 PolarHBondContact O-N 2.95Å
460	R	49.4	Very low	50.3	Low	164 Å²	164	105.8 Å²	105.8	62%	0.619	54%	0.538	S	S	*	.			trans	-97	117	-175.5	-59.2	-175.4	-167.2	-145	3.4	110.3	A456 L457 V462	A456-R460 PolarHBondContact O-NE 2.85Å; A456-R460 PolarHBondContact O-NH2 3.07Å; L457-R460 WeakPolarHBondContact O-CB 3.42Å; L457-R460 WeakPolarHBondContact O-CG 3.44Å; L457-R460 PolarHBondContact O-N 2.9Å; R460-V462 VanDerWaalsContact C-N 3.26Å; R460-V462 HydrophobicContact CB-CG2 3.99Å; R460-V462 PolarHBondContact O-N 2.88Å
461	R	54.6	Low	52.7	Low	182 Å²	182	98.7 Å²	98.7	69%	0.687	51%	0.51	S	S	*	.			trans	-64.6	94	153.5	-73.2	-173.8	178.8	-156.4	1.8	107.2	S463 E512	R461-S463 PolarHBondContact O-N 3.2Å; R461-E512 IonicContact NH1-OE2 2.71Å; R461-E512 PolarHBondContact NH1-OE2 3.1Å; R461-E512 VanDerWaalsContact NH1-OE2 3.11Å
462	V	64.9	Low	55.3	Low	29 Å²	29	90.4 Å²	90.4	18%	0.176	48%	0.475	C	S	.	.			trans	-81.6	103.2	169.3	-177.6	0	0	0	0	105.9	R460 L467 Y504 Y506 A514	R460-V462 VanDerWaalsContact C-N 3.26Å; R460-V462 HydrophobicContact CB-CG2 3.99Å; R460-V462 PolarHBondContact O-N 2.88Å; V462-L467 HydrophobicContact CG1-CD1 4Å; V462-L467 HydrophobicContact CG1-CD2 3.68Å; V462-L467 HydrophobicContact CG1-CG 3.72Å; V462-Y504 HydrophobicContact CB-CE1 4.42Å; V462-Y504 HydrophobicContact CG1-CD1 4.47Å; V462-Y504 HydrophobicContact CG1-CE1 4.17Å; V462-Y504 HydrophobicContact CG2-CE1 4.32Å; V462-Y506 PolarHBondContact O-OH 2.85Å; V462-A514 PolarHBondContact O-N 2.87Å
463	S	66.4	Low	58.3	Low	15 Å²	15	90.2 Å²	90.2	11%	0.105	46%	0.458	C	S	.	.			trans	-76.2	156	171.3	77	0	0	0	0	109.9	R461 R465 D466	R461-S463 PolarHBondContact O-N 3.2Å; S463-R465 PolarHBondContact O-N 3.38Å; S463-R465 PolarHBondContact OG-N 2.79Å; S463-D466 VanDerWaalsContact CB-OD2 3.24Å; S463-D466 WeakPolarHBondContact CB-OD2 3.45Å; S463-D466 PolarHBondContact N-OD2 2.58Å; S463-D466 VanDerWaalsContact N-OD2 3.07Å; S463-D466 PolarHBondContact O-N 2.91Å; S463-D466 PolarHBondContact OG-N 2.74Å; S463-D466 VanDerWaalsContact OG-N 3.11Å; S463-D466 PolarHBondContact OG-OD2 2.7Å
464	C	69.3	Low	61	Low	19 Å²	19	82.3 Å²	82.3	13%	0.128	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.7	171.8	-167.1	0	0	0	0	112.9	Y506 Q509 D511	C464-Y506 HydrophobicContact CB-CD1 4.26Å; C464-Y506 HydrophobicContact CB-CD2 4.39Å; C464-Y506 HydrophobicContact CB-CE1 4.09Å; C464-Y506 HydrophobicContact CB-CE2 4.26Å; C464-Y506 HydrophobicContact CB-CG 4.4Å; C464-Q509 WeakPolarHBondContact CB-O 3.33Å; C464-D511 PolarHBondContact N-O 3.45Å; C464-D511 VanDerWaalsContact N-O 3.13Å
465	R	69.1	Low	64	Low	183 Å²	183	84.3 Å²	84.3	69%	0.691	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-26.9	178.4	-57.1	-178.3	-173.7	178.6	4.1	113.6	S463 L467	S463-R465 PolarHBondContact O-N 3.38Å; S463-R465 PolarHBondContact OG-N 2.79Å; R465-L467 VanDerWaalsContact C-N 3.25Å; R465-L467 PolarHBondContact O-N 3.14Å
466	D	71.3	Confident	66.6	Low	112 Å²	112	79.3 Å²	79.3	60%	0.599	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-24.2	175.8	-60	-58.5	0	0	0	111.6	S463 A468	S463-D466 VanDerWaalsContact CB-OD2 3.24Å; S463-D466 WeakPolarHBondContact CB-OD2 3.45Å; S463-D466 PolarHBondContact N-OD2 2.58Å; S463-D466 VanDerWaalsContact N-OD2 3.07Å; S463-D466 PolarHBondContact O-N 2.91Å; S463-D466 PolarHBondContact OG-N 2.74Å; S463-D466 VanDerWaalsContact OG-N 3.11Å; S463-D466 PolarHBondContact OG-OD2 2.7Å; D466-A468 PolarHBondContact O-N 2.86Å
467	L	72	Confident	69.3	Low	11 Å²	11	78.9 Å²	78.9	6%	0.058	38%	0.375	C	S	.	.			trans	-76	50.2	172.8	-60.9	-179.4	0	0	0	111.9	V462 R465 H469 V497 Y504 Y506	V462-L467 HydrophobicContact CG1-CD1 4Å; V462-L467 HydrophobicContact CG1-CD2 3.68Å; V462-L467 HydrophobicContact CG1-CG 3.72Å; R465-L467 VanDerWaalsContact C-N 3.25Å; R465-L467 PolarHBondContact O-N 3.14Å; L467-H469 PolarHBondContact O-N 3.46Å; L467-V497 HydrophobicContact CB-CG1 4.18Å; L467-V497 HydrophobicContact CD1-CB 3.96Å; L467-V497 HydrophobicContact CD1-CG1 3.67Å; L467-Y504 HydrophobicContact CD1-CD2 3.84Å; L467-Y504 HydrophobicContact CD1-CE2 4.29Å; L467-Y504 HydrophobicContact CD1-CG 4.09Å; L467-Y504 HydrophobicContact CD2-CE2 4.17Å; L467-Y506 HydrophobicContact CD1-CE2 4.29Å; L467-Y506 VanDerWaalsContact CD1-OH 3.23Å; L467-Y506 WeakPolarHBondContact CD1-OH 3.48Å
468	A	55.3	Low	71.6	Confident	72 Å²	72	75.1 Å²	75.1	60%	0.595	35%	0.354	S	S	*	.			trans	-59.9	-15.1	-169.3	0	0	0	0	0	115.8	D466	D466-A468 PolarHBondContact O-N 2.86Å
469	H	64.3	Low	73.7	Confident	161 Å²	161	74 Å²	74	75%	0.745	34%	0.341	S	S	*	.	S	Bend	trans	-141.5	93.4	175	-57.4	86.7	0	0	0	109.2	L467 Q499	L467-H469 PolarHBondContact O-N 3.46Å; H469-Q499 PolarHBondContact O-NE2 2.83Å
470	P	78.5	Confident	75.3	Confident	53 Å²	53	71.2 Å²	71.2	34%	0.344	33%	0.331	S	S	.	.			trans	-88.6	151.9	172.8	34.9	-32.8	0	0	0	111.9	D473 V497 L498	P470-D473 HydrophobicContact CG-CB 4.29Å; P470-V497 HydrophobicContact CB-CG1 3.51Å; P470-V497 HydrophobicContact CG-CG1 4.27Å; P470-L498 CarbonylContact C-O 3.56Å; P470-L498 WeakPolarHBondContact CA-O 3.18Å; P470-L498 WeakPolarHBondContact CB-O 3.34Å
471	D	79.8	Confident	75.7	Confident	66 Å²	66	69.5 Å²	69.5	35%	0.353	33%	0.328	S	S	.	.	S	Bend	trans	-76.5	-24.1	171.5	-66.1	-91.9	0	0	0	111.4	L498 G500 K570	D471-L498 HydrophobicContact CB-CD2 4.45Å; D471-L498 HydrophobicContact CB-CG 4.43Å; D471-L498 PolarHBondContact N-O 3.43Å; D471-G500 PolarHBondContact OD2-N 2.91Å; D471-K570 IonicContact OD1-NZ 2.69Å; D471-K570 PolarHBondContact OD1-NZ 2.93Å; D471-K570 IonicContact OD2-NZ 3.56Å
472	C	87.1	Confident	75.3	Confident	4 Å²	4	65.9 Å²	65.9	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	141.8	169.5	-170.8	0	0	0	0	111.9	L498 K559 W560	C472-L498 HydrophobicContact CB-CB 4.14Å; C472-L498 HydrophobicContact CB-CD2 4.14Å; C472-L498 PolarHBondContact N-O 2.87Å; C472-L498 WeakPolarHBondContact O-CB 3.35Å; C472-L498 PolarHBondContact O-N 2.69Å; C472-K559 WeakPolarHBondContact SG-CE 3.43Å; C472-W560 HydrophobicContact CB-CE3 4.41Å; C472-W560 HydrophobicContact CB-CZ3 4.16Å
473	D	88.9	Confident	74.2	Confident	59 Å²	59	70 Å²	70	32%	0.316	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.2	176.7	69.3	-47.2	0	0	0	112.4	P470 W495 F496 K559	P470-D473 HydrophobicContact CG-CB 4.29Å; D473-W495 HydrophobicContact CB-CZ2 3.93Å; D473-W495 VanDerWaalsContact OD2-CZ2 3.31Å; D473-W495 WeakPolarHBondContact OD2-CZ2 3.36Å; D473-F496 WeakPolarHBondContact CA-O 3.23Å; D473-K559 PolarHBondContact O-NZ 3.39Å; D473-K559 IonicContact OD1-NZ 3.09Å
474	G	89.3	Confident	72.7	Confident	13 Å²	13	71.6 Å²	71.6	13%	0.134	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.8	173.5	175.9	0	0	0	0	0	114.8	F496	G474-F496 PolarHBondContact N-O 3.1Å; G474-F496 VanDerWaalsContact N-O 3.08Å; G474-F496 PolarHBondContact O-N 2.86Å
475	W	90.9	Very high	71.5	Confident	92 Å²	92	76 Å²	76	35%	0.348	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.1	171.9	-69.4	98.9	0	0	0	111.1	R493 F494 W495	W475-R493 HydrophobicContact CB-CG 4.44Å; W475-R493 HydrophobicContact CE3-CG 3.98Å; W475-F494 WeakPolarHBondContact CA-O 3.49Å; W475-F494 VanDerWaalsContact CE3-O 3.32Å; W475-W495 AromaticContact CD1-CE3 3.64Å; W475-W495 AromaticContact CD1-CZ3 3.66Å; W475-W495 AromaticContact CD2-CE3 3.92Å; W475-W495 HydrophobicContact CD2-CE3 3.92Å; W475-W495 AromaticContact CE2-CE3 3.69Å; W475-W495 HydrophobicContact CE3-CB 4.26Å; W475-W495 AromaticContact CG-CE3 3.88Å; W475-W495 HydrophobicContact CG-CE3 3.88Å; W475-W495 HydrophobicContact CG-CZ3 4.26Å; W475-W495 HydrophobicContact CH2-CB 4.16Å; W475-W495 HydrophobicContact CZ2-CB 4.43Å; W475-W495 HydrophobicContact CZ2-CE3 4.3Å; W475-W495 HydrophobicContact CZ3-CB 4.08Å; W475-W495 AromaticContact NE1-CE3 3.51Å; W475-W495 AromaticContact NE1-CZ3 3.71Å
476	L	91.1	Very high	70.4	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.9	166.3	-58	177	0	0	0	110.4	R493 F494 F496 F537 F549 V551 W560	L476-R493 WeakPolarHBondContact O-CA 3.44Å; L476-F494 PolarHBondContact N-O 3.48Å; L476-F494 PolarHBondContact O-N 2.94Å; L476-F496 HydrophobicContact CB-CD2 3.5Å; L476-F496 VanDerWaalsContact CB-CD2 3.5Å; L476-F496 HydrophobicContact CB-CE2 3.62Å; L476-F496 HydrophobicContact CB-CG 4.26Å; L476-F496 HydrophobicContact CB-CZ 4.49Å; L476-F496 HydrophobicContact CD1-CB 4.09Å; L476-F496 HydrophobicContact CD1-CD1 4.06Å; L476-F496 HydrophobicContact CD1-CD2 3.86Å; L476-F496 HydrophobicContact CD1-CE1 4.45Å; L476-F496 HydrophobicContact CD1-CE2 4.25Å; L476-F496 HydrophobicContact CD1-CG 3.74Å; L476-F496 HydrophobicContact CG-CB 4.28Å; L476-F496 HydrophobicContact CG-CD2 3.81Å; L476-F496 HydrophobicContact CG-CE2 4.33Å; L476-F496 HydrophobicContact CG-CG 4.09Å; L476-F537 HydrophobicContact CD1-CZ 4.2Å; L476-F537 HydrophobicContact CD2-CE1 4.4Å; L476-F549 HydrophobicContact CD1-CD1 4.14Å; L476-F549 HydrophobicContact CD1-CG 4.48Å; L476-V551 HydrophobicContact CD2-CG1 3.32Å; L476-W560 HydrophobicContact CD1-CD2 4.17Å; L476-W560 HydrophobicContact CD1-CE3 4.33Å; L476-W560 HydrophobicContact CD1-CH2 4.41Å; L476-W560 HydrophobicContact CD1-CZ2 4.21Å; L476-W560 HydrophobicContact CD1-CZ3 4.45Å; L476-W560 HydrophobicContact CD2-CD2 4.07Å; L476-W560 HydrophobicContact CD2-CG 3.99Å; L476-W560 HydrophobicContact CD2-CZ2 4.34Å; L476-W560 HydrophobicContact CG-CD2 4.42Å; L476-W560 HydrophobicContact CG-CZ2 4.08Å
477	W	90.1	Very high	69	Low	63 Å²	63	73.6 Å²	73.6	24%	0.239	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114	165.5	-62.4	92.8	0	0	0	109.9	W491 Q492 R493 R533 F549 S550 D552	W477-W491 HydrophobicContact CB-CE3 3.98Å; W477-W491 HydrophobicContact CE3-CB 4.22Å; W477-W491 WeakPolarHBondContact O-CZ3 3.49Å; W477-Q492 CarbonylContact C-O 3.56Å; W477-Q492 WeakPolarHBondContact CA-O 3.43Å; W477-R493 HydrophobicContact CD2-CB 3.93Å; W477-R493 HydrophobicContact CD2-CG 3.8Å; W477-R493 HydrophobicContact CE3-CB 3.75Å; W477-R493 HydrophobicContact CE3-CG 4.17Å; W477-R493 HydrophobicContact CG-CG 4.26Å; W477-R493 HydrophobicContact CH2-CB 4.13Å; W477-R493 HydrophobicContact CH2-CG 4.43Å; W477-R493 HydrophobicContact CZ2-CB 4.3Å; W477-R493 HydrophobicContact CZ2-CG 4.1Å; W477-R493 HydrophobicContact CZ3-CB 3.86Å; W477-R493 HydrophobicContact CZ3-CG 4.47Å; W477-R533 VanDerWaalsContact CE3-NH1 3.28Å; W477-F549 CarbonylContact O-C 3.59Å; W477-F549 VanDerWaalsContact O-CA 3.31Å; W477-F549 WeakPolarHBondContact O-CA 3.44Å; W477-S550 WeakPolarHBondContact CB-O 3.36Å; W477-S550 PolarHBondContact N-O 3.27Å; W477-S550 PolarHBondContact O-N 2.98Å; W477-D552 PolarHBondContact NE1-OD1 3.39Å
478	K	89.4	Confident	67.7	Low	19 Å²	19	78.5 Å²	78.5	8%	0.083	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.6	173.3	-164.6	-176.4	-160.1	-132	0	109.4	R480 Q492 F494 F496 F549	K478-R480 PolarHBondContact O-N 3.43Å; K478-Q492 PolarHBondContact N-O 3.34Å; K478-Q492 PolarHBondContact O-N 3.47Å; K478-F494 HydrophobicContact CB-CD2 3.9Å; K478-F494 HydrophobicContact CB-CE2 4Å; K478-F494 HydrophobicContact CD-CE2 4.33Å; K478-F496 HydrophobicContact CB-CZ 4.14Å; K478-F496 HydrophobicContact CD-CZ 4.2Å; K478-F496 HydrophobicContact CG-CZ 4.42Å; K478-F549 HydrophobicContact CB-CD1 4.4Å; K478-F549 HydrophobicContact CB-CE1 4.4Å; K478-F549 HydrophobicContact CD-CE1 4.35Å; K478-F549 HydrophobicContact CG-CD1 4.25Å; K478-F549 HydrophobicContact CG-CE1 3.87Å
479	K	85	Confident	67.6	Low	43 Å²	43	80.3 Å²	80.3	19%	0.187	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.2	168	-162.7	178.4	-176.7	178.2	0	108.3	W491 F548	K479-W491 HydrophobicContact CB-CD2 4.14Å; K479-W491 HydrophobicContact CB-CE3 3.97Å; K479-W491 HydrophobicContact CB-CH2 4.08Å; K479-W491 HydrophobicContact CB-CZ2 4.24Å; K479-W491 HydrophobicContact CB-CZ3 3.94Å; K479-W491 HydrophobicContact CD-CZ2 4.09Å; K479-W491 HydrophobicContact CG-CD2 4.4Å; K479-W491 HydrophobicContact CG-CZ2 4.29Å; K479-F548 HydrophobicContact CB-CB 3.82Å; K479-F548 HydrophobicContact CD-CB 4.16Å; K479-F548 HydrophobicContact CD-CD2 4.26Å; K479-F548 HydrophobicContact CD-CG 4.17Å; K479-F548 PolarHBondContact N-O 2.93Å
480	R	74.5	Confident	67.8	Low	134 Å²	134	79.3 Å²	79.3	51%	0.506	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-73	146.4	171.2	-71.3	-170.5	172	-144.9	-4.4	109.5	K478 K490 Q492	K478-R480 PolarHBondContact O-N 3.43Å; R480-K490 PolarHBondContact N-O 3.21Å; R480-Q492 HydrophobicContact CG-CB 4.38Å
481	K	57.2	Low	68	Low	129 Å²	129	78.4 Å²	78.4	56%	0.561	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.3	171	-159.2	-173.5	-152.9	152.6	0	108.2
482	E	47.9	Very low	68.4	Low	105 Å²	105	79.2 Å²	79.2	49%	0.491	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.7	126.9	171.7	-151.7	143.2	172.7	0	0	108.3
483	S	40	Very low	68.6	Low	115 Å²	115	83.4 Å²	83.4	80%	0.804	41%	0.406	S	S	*	.			trans	-133.7	18.8	-177.2	57	0	0	0	0	112.5
484	S	34.9	Very low	68.7	Low	49 Å²	49	80.9 Å²	80.9	34%	0.343	39%	0.392	S	S	.	.	S	Bend	trans	-168.5	135.9	178.3	56.4	0	0	0	0	108.8	F486 I487	S484-F486 PolarHBondContact O-N 2.85Å; S484-I487 PolarHBondContact O-N 2.92Å; S484-I487 WeakPolarHBondContact OG-CD1 3.44Å; S484-I487 VanDerWaalsContact OG-CG1 3.31Å; S484-I487 WeakPolarHBondContact OG-CG1 3.39Å
485	V	45.3	Very low	68.7	Low	113 Å²	113	81.3 Å²	81.3	69%	0.685	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-1.9	-175	-178	0	0	0	0	114.6
486	F	45.3	Very low	68.8	Low	155 Å²	155	77 Å²	77	68%	0.68	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	24	-172	-51.3	-73.7	0	0	0	114.5	S484 L818	S484-F486 PolarHBondContact O-N 2.85Å; F486-L818 HydrophobicContact CE1-CD1 4.28Å; F486-L818 HydrophobicContact CZ-CD1 3.84Å
487	I	42.2	Very low	68.7	Low	89 Å²	89	77.1 Å²	77.1	46%	0.456	37%	0.374	S	S	.	.			trans	-121.7	92.7	175.4	-62.8	-177.9	0	0	0	110.5	S484 K490	S484-I487 PolarHBondContact O-N 2.92Å; S484-I487 WeakPolarHBondContact OG-CD1 3.44Å; S484-I487 VanDerWaalsContact OG-CG1 3.31Å; S484-I487 WeakPolarHBondContact OG-CG1 3.39Å; I487-K490 HydrophobicContact CG2-CD 4.32Å
488	T	44.1	Very low	68.7	Low	113 Å²	113	74.1 Å²	74.1	69%	0.693	36%	0.363	S	S	*	.			trans	-46.7	142.6	171.5	54.5	0	0	0	0	112.1	K490	T488-K490 WeakPolarHBondContact O-CG 3.3Å; T488-K490 PolarHBondContact O-N 3.35Å
489	Q	54.2	Low	68.5	Low	111 Å²	111	76.4 Å²	76.4	52%	0.519	37%	0.374	S	S	.	.			trans	-54.6	84.2	-162	-61.5	-176.4	4.8	0	0	115.2	W491	Q489-W491 PolarHBondContact O-N 3.44Å
490	K	69.2	Low	68.5	Low	140 Å²	140	75.3 Å²	75.3	61%	0.609	38%	0.375	S	S	*	.			trans	-79.5	101.9	-178.4	-83.7	173.4	-176.9	178.3	0	111.9	R480 I487 T488	R480-K490 PolarHBondContact N-O 3.21Å; I487-K490 HydrophobicContact CG2-CD 4.32Å; T488-K490 WeakPolarHBondContact O-CG 3.3Å; T488-K490 PolarHBondContact O-N 3.35Å
491	W	82.7	Confident	69	Low	33 Å²	33	70.2 Å²	70.2	13%	0.125	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.2	162.1	-66.6	83.7	0	0	0	110	W477 K479 Q489 V536 F548	W477-W491 HydrophobicContact CB-CE3 3.98Å; W477-W491 HydrophobicContact CE3-CB 4.22Å; W477-W491 WeakPolarHBondContact O-CZ3 3.49Å; K479-W491 HydrophobicContact CB-CD2 4.14Å; K479-W491 HydrophobicContact CB-CE3 3.97Å; K479-W491 HydrophobicContact CB-CH2 4.08Å; K479-W491 HydrophobicContact CB-CZ2 4.24Å; K479-W491 HydrophobicContact CB-CZ3 3.94Å; K479-W491 HydrophobicContact CD-CZ2 4.09Å; K479-W491 HydrophobicContact CG-CD2 4.4Å; K479-W491 HydrophobicContact CG-CZ2 4.29Å; Q489-W491 PolarHBondContact O-N 3.44Å; W491-V536 HydrophobicContact CH2-CG1 3.8Å; W491-F548 HydrophobicContact CH2-CB 4Å; W491-F548 HydrophobicContact CZ3-CB 4.38Å
492	Q	87.1	Confident	70.5	Confident	83 Å²	83	65.9 Å²	65.9	39%	0.388	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	177	-179.1	60.9	46.7	0	0	109.5	W477 K478 R480 F494	W477-Q492 CarbonylContact C-O 3.56Å; W477-Q492 WeakPolarHBondContact CA-O 3.43Å; K478-Q492 PolarHBondContact N-O 3.34Å; K478-Q492 PolarHBondContact O-N 3.47Å; R480-Q492 HydrophobicContact CG-CB 4.38Å; Q492-F494 HydrophobicContact CB-CD2 4.27Å; Q492-F494 HydrophobicContact CB-CE2 3.64Å; Q492-F494 HydrophobicContact CB-CZ 4.04Å; Q492-F494 HydrophobicContact CG-CD1 4.44Å; Q492-F494 HydrophobicContact CG-CD2 4Å; Q492-F494 HydrophobicContact CG-CE1 3.94Å; Q492-F494 HydrophobicContact CG-CE2 3.47Å; Q492-F494 VanDerWaalsContact CG-CE2 3.47Å; Q492-F494 HydrophobicContact CG-CG 4.48Å; Q492-F494 HydrophobicContact CG-CZ 3.46Å; Q492-F494 VanDerWaalsContact CG-CZ 3.46Å
493	R	90.5	Very high	72.4	Confident	92 Å²	92	61 Å²	61	35%	0.347	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134.6	172.5	-144.1	-175.5	-170.1	-152.3	6	109.1	W475 L476 W477 D552	W475-R493 HydrophobicContact CB-CG 4.44Å; W475-R493 HydrophobicContact CE3-CG 3.98Å; L476-R493 WeakPolarHBondContact O-CA 3.44Å; W477-R493 HydrophobicContact CD2-CB 3.93Å; W477-R493 HydrophobicContact CD2-CG 3.8Å; W477-R493 HydrophobicContact CE3-CB 3.75Å; W477-R493 HydrophobicContact CE3-CG 4.17Å; W477-R493 HydrophobicContact CG-CG 4.26Å; W477-R493 HydrophobicContact CH2-CB 4.13Å; W477-R493 HydrophobicContact CH2-CG 4.43Å; W477-R493 HydrophobicContact CZ2-CB 4.3Å; W477-R493 HydrophobicContact CZ2-CG 4.1Å; W477-R493 HydrophobicContact CZ3-CB 3.86Å; W477-R493 HydrophobicContact CZ3-CG 4.47Å; R493-D552 IonicContact CZ-OD2 2.65Å; R493-D552 IonicContact NE-OD2 3.06Å; R493-D552 IonicContact NH2-OD2 3.37Å; R493-D552 PolarHBondContact NH2-OD2 3.19Å
494	F	91.6	Very high	74.7	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.4	173.3	-60.5	-86	0	0	0	109.5	W475 L476 K478 Q492 F496 W505 Y506 N507 E515	W475-F494 WeakPolarHBondContact CA-O 3.49Å; W475-F494 VanDerWaalsContact CE3-O 3.32Å; L476-F494 PolarHBondContact N-O 3.48Å; L476-F494 PolarHBondContact O-N 2.94Å; K478-F494 HydrophobicContact CB-CD2 3.9Å; K478-F494 HydrophobicContact CB-CE2 4Å; K478-F494 HydrophobicContact CD-CE2 4.33Å; Q492-F494 HydrophobicContact CB-CD2 4.27Å; Q492-F494 HydrophobicContact CB-CE2 3.64Å; Q492-F494 HydrophobicContact CB-CZ 4.04Å; Q492-F494 HydrophobicContact CG-CD1 4.44Å; Q492-F494 HydrophobicContact CG-CD2 4Å; Q492-F494 HydrophobicContact CG-CE1 3.94Å; Q492-F494 HydrophobicContact CG-CE2 3.47Å; Q492-F494 VanDerWaalsContact CG-CE2 3.47Å; Q492-F494 HydrophobicContact CG-CG 4.48Å; Q492-F494 HydrophobicContact CG-CZ 3.46Å; Q492-F494 VanDerWaalsContact CG-CZ 3.46Å; F494-F496 HydrophobicContact CB-CD2 4.12Å; F494-F496 HydrophobicContact CB-CE2 3.69Å; F494-F496 HydrophobicContact CB-CZ 4.48Å; F494-F496 HydrophobicContact CD2-CE2 4.4Å; F494-F496 WeakPolarHBondContact O-CD2 3.44Å; F494-W505 HydrophobicContact CB-CB 4.2Å; F494-W505 AromaticContact CD1-CD1 3.98Å; F494-Y506 WeakPolarHBondContact CA-O 3.42Å; F494-Y506 WeakPolarHBondContact CB-O 3.31Å; F494-N507 WeakPolarHBondContact CE1-OD1 3.21Å; F494-E515 HydrophobicContact CE1-CG 3.9Å
495	W	90.6	Very high	77.3	Confident	23 Å²	23	54.5 Å²	54.5	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121	170.2	-179.9	-101.1	0	0	0	109	D473 W475 W505 Y506 Q509	D473-W495 HydrophobicContact CB-CZ2 3.93Å; D473-W495 VanDerWaalsContact OD2-CZ2 3.31Å; D473-W495 WeakPolarHBondContact OD2-CZ2 3.36Å; W475-W495 AromaticContact CD1-CE3 3.64Å; W475-W495 AromaticContact CD1-CZ3 3.66Å; W475-W495 AromaticContact CD2-CE3 3.92Å; W475-W495 HydrophobicContact CD2-CE3 3.92Å; W475-W495 AromaticContact CE2-CE3 3.69Å; W475-W495 HydrophobicContact CE3-CB 4.26Å; W475-W495 AromaticContact CG-CE3 3.88Å; W475-W495 HydrophobicContact CG-CE3 3.88Å; W475-W495 HydrophobicContact CG-CZ3 4.26Å; W475-W495 HydrophobicContact CH2-CB 4.16Å; W475-W495 HydrophobicContact CZ2-CB 4.43Å; W475-W495 HydrophobicContact CZ2-CE3 4.3Å; W475-W495 HydrophobicContact CZ3-CB 4.08Å; W475-W495 AromaticContact NE1-CE3 3.51Å; W475-W495 AromaticContact NE1-CZ3 3.71Å; W495-W505 CarbonylContact O-C 3.58Å; W495-W505 VanDerWaalsContact O-CA 3.25Å; W495-W505 WeakPolarHBondContact O-CA 3.37Å; W495-Y506 PolarHBondContact N-O 3.07Å; W495-Y506 PolarHBondContact O-N 2.57Å; W495-Q509 HydrophobicContact CD2-CB 4.26Å; W495-Q509 HydrophobicContact CD2-CG 4.25Å; W495-Q509 HydrophobicContact CG-CB 4.22Å; W495-Q509 HydrophobicContact CZ2-CG 4.18Å
496	F	91.4	Very high	79.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.4	-178.4	-79.4	-102.1	0	0	0	111.7	D473 G474 L476 K478 F494 L503 Y504 W505 F549 W560	D473-F496 WeakPolarHBondContact CA-O 3.23Å; G474-F496 PolarHBondContact N-O 3.1Å; G474-F496 VanDerWaalsContact N-O 3.08Å; G474-F496 PolarHBondContact O-N 2.86Å; L476-F496 HydrophobicContact CB-CD2 3.5Å; L476-F496 VanDerWaalsContact CB-CD2 3.5Å; L476-F496 HydrophobicContact CB-CE2 3.62Å; L476-F496 HydrophobicContact CB-CG 4.26Å; L476-F496 HydrophobicContact CB-CZ 4.49Å; L476-F496 HydrophobicContact CD1-CB 4.09Å; L476-F496 HydrophobicContact CD1-CD1 4.06Å; L476-F496 HydrophobicContact CD1-CD2 3.86Å; L476-F496 HydrophobicContact CD1-CE1 4.45Å; L476-F496 HydrophobicContact CD1-CE2 4.25Å; L476-F496 HydrophobicContact CD1-CG 3.74Å; L476-F496 HydrophobicContact CG-CB 4.28Å; L476-F496 HydrophobicContact CG-CD2 3.81Å; L476-F496 HydrophobicContact CG-CE2 4.33Å; L476-F496 HydrophobicContact CG-CG 4.09Å; K478-F496 HydrophobicContact CB-CZ 4.14Å; K478-F496 HydrophobicContact CD-CZ 4.2Å; K478-F496 HydrophobicContact CG-CZ 4.42Å; F494-F496 HydrophobicContact CB-CD2 4.12Å; F494-F496 HydrophobicContact CB-CE2 3.69Å; F494-F496 HydrophobicContact CB-CZ 4.48Å; F494-F496 HydrophobicContact CD2-CE2 4.4Å; F494-F496 WeakPolarHBondContact O-CD2 3.44Å; F496-L503 HydrophobicContact CB-CD1 4.41Å; F496-L503 HydrophobicContact CD1-CD1 3.92Å; F496-L503 HydrophobicContact CD1-CD2 4.06Å; F496-L503 HydrophobicContact CD1-CG 3.89Å; F496-L503 HydrophobicContact CE1-CD2 4.26Å; F496-L503 HydrophobicContact CE1-CG 4.42Å; F496-Y504 WeakPolarHBondContact CA-O 3.33Å; F496-W505 HydrophobicContact CD1-CB 3.7Å; F496-W505 HydrophobicContact CD1-CE3 4.49Å; F496-W505 HydrophobicContact CD2-CB 4.08Å; F496-W505 HydrophobicContact CE1-CB 3.6Å; F496-W505 HydrophobicContact CE1-CD2 4.07Å; F496-W505 AromaticContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE1-CG 4.01Å; F496-W505 HydrophobicContact CE2-CB 4.01Å; F496-W505 HydrophobicContact CG-CB 3.95Å; F496-W505 HydrophobicContact CZ-CB 3.76Å; F496-W505 HydrophobicContact CZ-CD2 4.37Å; F496-W505 HydrophobicContact CZ-CG 4.05Å; F496-F549 HydrophobicContact CE1-CD1 4.36Å; F496-F549 AromaticContact CE1-CE1 3.66Å; F496-F549 HydrophobicContact CE1-CE1 3.66Å; F496-F549 HydrophobicContact CE1-CZ 4.45Å; F496-F549 HydrophobicContact CZ-CD1 4.08Å; F496-F549 AromaticContact CZ-CE1 3.64Å; F496-F549 HydrophobicContact CZ-CE1 3.64Å; F496-W560 HydrophobicContact CB-CH2 3.57Å; F496-W560 HydrophobicContact CB-CZ2 3.96Å; F496-W560 HydrophobicContact CB-CZ3 4.43Å
497	V	90.3	Very high	81.2	Confident	4 Å²	4	45 Å²	45	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	117	178.3	-170.4	0	0	0	0	109.1	L467 P470 Y504 Y506	L467-V497 HydrophobicContact CB-CG1 4.18Å; L467-V497 HydrophobicContact CD1-CB 3.96Å; L467-V497 HydrophobicContact CD1-CG1 3.67Å; P470-V497 HydrophobicContact CB-CG1 3.51Å; P470-V497 HydrophobicContact CG-CG1 4.27Å; V497-Y504 PolarHBondContact N-O 3.37Å; V497-Y504 PolarHBondContact O-N 3.01Å; V497-Y506 HydrophobicContact CB-CE2 4.31Å; V497-Y506 HydrophobicContact CG2-CD2 4.18Å; V497-Y506 HydrophobicContact CG2-CE2 3.88Å
498	L	88.9	Confident	83.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127	174.9	179.1	66.3	0	0	0	109.6	P470 D471 C472 L503 I520 W560 L564 A567	P470-L498 CarbonylContact C-O 3.56Å; P470-L498 WeakPolarHBondContact CA-O 3.18Å; P470-L498 WeakPolarHBondContact CB-O 3.34Å; D471-L498 HydrophobicContact CB-CD2 4.45Å; D471-L498 HydrophobicContact CB-CG 4.43Å; D471-L498 PolarHBondContact N-O 3.43Å; C472-L498 HydrophobicContact CB-CB 4.14Å; C472-L498 HydrophobicContact CB-CD2 4.14Å; C472-L498 PolarHBondContact N-O 2.87Å; C472-L498 WeakPolarHBondContact O-CB 3.35Å; C472-L498 PolarHBondContact O-N 2.69Å; L498-L503 HydrophobicContact CB-CD1 4.05Å; L498-L503 HydrophobicContact CD1-CB 4.3Å; L498-L503 HydrophobicContact CD1-CD1 4.31Å; L498-I520 HydrophobicContact CD1-CD1 3.81Å; L498-W560 HydrophobicContact CB-CZ3 4.31Å; L498-L564 HydrophobicContact CD1-CD2 4.04Å; L498-L564 HydrophobicContact CD2-CD2 3.98Å; L498-L564 HydrophobicContact CD2-CG 4.47Å; L498-A567 HydrophobicContact CD1-CB 4.48Å; L498-A567 HydrophobicContact CD2-CB 4.15Å
499	Q	86.7	Confident	84.9	Confident	68 Å²	68	42.2 Å²	42.2	32%	0.318	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	112.2	172.4	-174	-179.6	71.8	0	0	110.3	H469 N502 Y504	H469-Q499 PolarHBondContact O-NE2 2.83Å; Q499-N502 PolarHBondContact N-O 3.02Å; Q499-N502 WeakPolarHBondContact O-CB 3.25Å; Q499-N502 PolarHBondContact O-N 3.17Å; Q499-N502 VanDerWaalsContact O-N 3.1Å; Q499-Y504 HydrophobicContact CB-CE2 4.42Å
500	G	84.8	Confident	85.9	Confident	20 Å²	20	42.2 Å²	42.2	21%	0.206	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-133.4	-169.5	0	0	0	0	0	110.8	D471 N502 A567	D471-G500 PolarHBondContact OD2-N 2.91Å; G500-N502 PolarHBondContact O-N 2.71Å; G500-A567 WeakPolarHBondContact O-CB 3.14Å
501	P	84.1	Confident	86.4	Confident	27 Å²	27	37.2 Å²	37.2	18%	0.175	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	3.9	176.8	38.5	-39	0	0	0	113.3	N519 I520	P501-N519 WeakPolarHBondContact CB-OD1 3.25Å; P501-N519 WeakPolarHBondContact O-CA 3.46Å; P501-N519 PolarHBondContact O-OD1 3.34Å; P501-I520 WeakPolarHBondContact O-CG1 3.37Å; P501-I520 PolarHBondContact O-N 3.16Å
502	N	87.9	Confident	86	Confident	38 Å²	38	41.8 Å²	41.8	20%	0.203	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.8	-173.1	-68	-64.8	0	0	0	111.6	Q499 G500 Y504 L517	Q499-N502 PolarHBondContact N-O 3.02Å; Q499-N502 WeakPolarHBondContact O-CB 3.25Å; Q499-N502 PolarHBondContact O-N 3.17Å; Q499-N502 VanDerWaalsContact O-N 3.1Å; G500-N502 PolarHBondContact O-N 2.71Å; N502-Y504 HydrophobicContact CB-CD2 4.43Å; N502-Y504 HydrophobicContact CB-CE2 3.66Å; N502-L517 HydrophobicContact CB-CD1 3.73Å
503	L	89.1	Confident	85.7	Confident	1 Å²	1	44 Å²	44	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.1	174.9	-176.4	66	0	0	0	109.9	F496 L498 L518 I520 M539 F549 W560	F496-L503 HydrophobicContact CB-CD1 4.41Å; F496-L503 HydrophobicContact CD1-CD1 3.92Å; F496-L503 HydrophobicContact CD1-CD2 4.06Å; F496-L503 HydrophobicContact CD1-CG 3.89Å; F496-L503 HydrophobicContact CE1-CD2 4.26Å; F496-L503 HydrophobicContact CE1-CG 4.42Å; L498-L503 HydrophobicContact CB-CD1 4.05Å; L498-L503 HydrophobicContact CD1-CB 4.3Å; L498-L503 HydrophobicContact CD1-CD1 4.31Å; L503-L518 PolarHBondContact N-O 3.11Å; L503-L518 PolarHBondContact O-N 2.84Å; L503-I520 HydrophobicContact CB-CG2 3.88Å; L503-I520 HydrophobicContact CD2-CG2 4.49Å; L503-M539 HydrophobicContact CD2-CE 4.17Å; L503-F549 HydrophobicContact CD2-CZ 4.43Å; L503-W560 HydrophobicContact CD1-CH2 4.46Å; L503-W560 HydrophobicContact CD1-CZ3 3.95Å
504	Y	88.1	Confident	85.3	Confident	23 Å²	23	40.1 Å²	40.1	9%	0.09	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	152.5	176.7	-56.2	-95.2	0	0	0	110.4	V462 L467 F496 V497 Q499 N502 A514 L517	V462-Y504 HydrophobicContact CB-CE1 4.42Å; V462-Y504 HydrophobicContact CG1-CD1 4.47Å; V462-Y504 HydrophobicContact CG1-CE1 4.17Å; V462-Y504 HydrophobicContact CG2-CE1 4.32Å; L467-Y504 HydrophobicContact CD1-CD2 3.84Å; L467-Y504 HydrophobicContact CD1-CE2 4.29Å; L467-Y504 HydrophobicContact CD1-CG 4.09Å; L467-Y504 HydrophobicContact CD2-CE2 4.17Å; F496-Y504 WeakPolarHBondContact CA-O 3.33Å; V497-Y504 PolarHBondContact N-O 3.37Å; V497-Y504 PolarHBondContact O-N 3.01Å; Q499-Y504 HydrophobicContact CB-CE2 4.42Å; N502-Y504 HydrophobicContact CB-CD2 4.43Å; N502-Y504 HydrophobicContact CB-CE2 3.66Å; Y504-A514 HydrophobicContact CD1-CB 4.32Å; Y504-L517 HydrophobicContact CD1-CB 4.29Å; Y504-L517 HydrophobicContact CD1-CD1 3.9Å; Y504-L517 HydrophobicContact CE1-CB 4.5Å; Y504-L517 HydrophobicContact CE1-CD1 3.72Å; Y504-L517 HydrophobicContact CE1-CD2 4.19Å; Y504-L517 HydrophobicContact CE1-CG 4.35Å; Y504-L517 HydrophobicContact CE2-CD1 4.34Å; Y504-L517 HydrophobicContact CG-CD1 4.3Å
505	W	90	Very high	84.8	Confident	5 Å²	5	44 Å²	44	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.7	166.6	64.5	89.9	0	0	0	113.8	F494 W495 F496 A514 E515 G516 L518 T588	F494-W505 HydrophobicContact CB-CB 4.2Å; F494-W505 AromaticContact CD1-CD1 3.98Å; W495-W505 CarbonylContact O-C 3.58Å; W495-W505 VanDerWaalsContact O-CA 3.25Å; W495-W505 WeakPolarHBondContact O-CA 3.37Å; F496-W505 HydrophobicContact CD1-CB 3.7Å; F496-W505 HydrophobicContact CD1-CE3 4.49Å; F496-W505 HydrophobicContact CD2-CB 4.08Å; F496-W505 HydrophobicContact CE1-CB 3.6Å; F496-W505 HydrophobicContact CE1-CD2 4.07Å; F496-W505 AromaticContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE1-CG 4.01Å; F496-W505 HydrophobicContact CE2-CB 4.01Å; F496-W505 HydrophobicContact CG-CB 3.95Å; F496-W505 HydrophobicContact CZ-CB 3.76Å; F496-W505 HydrophobicContact CZ-CD2 4.37Å; F496-W505 HydrophobicContact CZ-CG 4.05Å; W505-A514 WeakPolarHBondContact O-CA 3.39Å; W505-E515 PolarHBondContact O-N 3.43Å; W505-G516 PolarHBondContact N-O 2.91Å; W505-G516 PolarHBondContact O-N 2.83Å; W505-L518 HydrophobicContact CH2-CB 4.47Å; W505-L518 HydrophobicContact CZ3-CB 3.85Å; W505-T588 HydrophobicContact CH2-CG2 4.2Å; W505-T588 HydrophobicContact CZ2-CG2 3.77Å
506	Y	87.5	Confident	84.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.9	-171.2	-56.2	-94.6	0	0	0	110.4	V462 C464 L467 F494 W495 V497 T508 D511 K513 A514	V462-Y506 PolarHBondContact O-OH 2.85Å; C464-Y506 HydrophobicContact CB-CD1 4.26Å; C464-Y506 HydrophobicContact CB-CD2 4.39Å; C464-Y506 HydrophobicContact CB-CE1 4.09Å; C464-Y506 HydrophobicContact CB-CE2 4.26Å; C464-Y506 HydrophobicContact CB-CG 4.4Å; L467-Y506 HydrophobicContact CD1-CE2 4.29Å; L467-Y506 VanDerWaalsContact CD1-OH 3.23Å; L467-Y506 WeakPolarHBondContact CD1-OH 3.48Å; F494-Y506 WeakPolarHBondContact CA-O 3.42Å; F494-Y506 WeakPolarHBondContact CB-O 3.31Å; W495-Y506 PolarHBondContact N-O 3.07Å; W495-Y506 PolarHBondContact O-N 2.57Å; V497-Y506 HydrophobicContact CB-CE2 4.31Å; V497-Y506 HydrophobicContact CG2-CD2 4.18Å; V497-Y506 HydrophobicContact CG2-CE2 3.88Å; Y506-T508 VanDerWaalsContact CB-O 3.29Å; Y506-T508 WeakPolarHBondContact CB-O 3.22Å; Y506-D511 HydrophobicContact CD1-CB 3.83Å; Y506-D511 HydrophobicContact CG-CB 4.49Å; Y506-K513 WeakPolarHBondContact CD1-O 3.33Å; Y506-A514 HydrophobicContact CD1-CB 4.32Å; Y506-A514 VanDerWaalsContact CE1-CA 3.48Å; Y506-A514 HydrophobicContact CE1-CB 3.85Å
507	N	84.9	Confident	84.1	Confident	70 Å²	70	43.6 Å²	43.6	37%	0.374	22%	0.22	S	C	.	.	S	Bend	trans	-78.6	-36.7	174.5	-61	-67.8	0	0	0	110.6	F494 D511 E515	F494-N507 WeakPolarHBondContact CE1-OD1 3.21Å; N507-D511 WeakPolarHBondContact CA-OD2 3.24Å; N507-D511 WeakPolarHBondContact CB-OD2 3.43Å; N507-D511 PolarHBondContact N-OD2 3.47Å; N507-E515 PolarHBondContact ND2-OE2 3.49Å
508	T	82.2	Confident	83.8	Confident	55 Å²	55	43.4 Å²	43.4	34%	0.337	22%	0.219	S	C	.	.	S	Bend	trans	-130.2	157	170.4	86.7	0	0	0	0	111.6	Y506 Q510 D511	Y506-T508 VanDerWaalsContact CB-O 3.29Å; Y506-T508 WeakPolarHBondContact CB-O 3.22Å; T508-Q510 PolarHBondContact O-N 3.11Å; T508-Q510 VanDerWaalsContact O-N 3.12Å; T508-Q510 PolarHBondContact OG1-N 3.21Å; T508-Q510 VanDerWaalsContact OG1-N 3.12Å; T508-D511 WeakPolarHBondContact CB-OD1 3.41Å; T508-D511 PolarHBondContact N-OD1 2.99Å; T508-D511 PolarHBondContact N-OD2 2.83Å; T508-D511 VanDerWaalsContact O-CG 3.29Å; T508-D511 PolarHBondContact O-N 3.13Å; T508-D511 PolarHBondContact OG1-N 3.18Å; T508-D511 PolarHBondContact OG1-OD1 3.36Å
509	Q	81.6	Confident	83.7	Confident	88 Å²	88	44.1 Å²	44.1	41%	0.411	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.4	173.8	-171	-175.5	30.2	0	0	112.5	C464 W495	C464-Q509 WeakPolarHBondContact CB-O 3.33Å; W495-Q509 HydrophobicContact CD2-CB 4.26Å; W495-Q509 HydrophobicContact CD2-CG 4.25Å; W495-Q509 HydrophobicContact CG-CB 4.22Å; W495-Q509 HydrophobicContact CZ2-CG 4.18Å
510	Q	75.1	Confident	83.7	Confident	110 Å²	110	40.9 Å²	40.9	51%	0.514	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-0.8	-178.6	-67.3	71.2	35.7	0	0	113	T508	T508-Q510 PolarHBondContact O-N 3.11Å; T508-Q510 VanDerWaalsContact O-N 3.12Å; T508-Q510 PolarHBondContact OG1-N 3.21Å; T508-Q510 VanDerWaalsContact OG1-N 3.12Å
511	D	78.4	Confident	83.4	Confident	36 Å²	36	40.5 Å²	40.5	19%	0.193	20%	0.202	C	C	.	.			trans	-65	133.4	-175.8	-68.2	-6	0	0	0	112.8	C464 Y506 N507 T508 K513	C464-D511 PolarHBondContact N-O 3.45Å; C464-D511 VanDerWaalsContact N-O 3.13Å; Y506-D511 HydrophobicContact CD1-CB 3.83Å; Y506-D511 HydrophobicContact CG-CB 4.49Å; N507-D511 WeakPolarHBondContact CA-OD2 3.24Å; N507-D511 WeakPolarHBondContact CB-OD2 3.43Å; N507-D511 PolarHBondContact N-OD2 3.47Å; T508-D511 WeakPolarHBondContact CB-OD1 3.41Å; T508-D511 PolarHBondContact N-OD1 2.99Å; T508-D511 PolarHBondContact N-OD2 2.83Å; T508-D511 VanDerWaalsContact O-CG 3.29Å; T508-D511 PolarHBondContact O-N 3.13Å; T508-D511 PolarHBondContact OG1-N 3.18Å; T508-D511 PolarHBondContact OG1-OD1 3.36Å; D511-K513 PolarHBondContact O-N 3.48Å
512	E	74.4	Confident	83	Confident	129 Å²	129	40.9 Å²	40.9	60%	0.603	21%	0.205	S	C	*	.	S	Bend	trans	-76.6	-3.9	175.3	-68.1	-168	169.6	0	0	114.3	R461	R461-E512 IonicContact NH1-OE2 2.71Å; R461-E512 PolarHBondContact NH1-OE2 3.1Å; R461-E512 VanDerWaalsContact NH1-OE2 3.11Å
513	K	81.1	Confident	82.7	Confident	129 Å²	129	39.5 Å²	39.5	56%	0.561	20%	0.197	S	C	*	.	S	Bend	trans	-151.4	136	-175.8	-168.8	-133.5	171.6	-139.4	0	109.8	Y506 D511	Y506-K513 WeakPolarHBondContact CD1-O 3.33Å; D511-K513 PolarHBondContact O-N 3.48Å
514	A	82.4	Confident	82.4	Confident	11 Å²	11	42.2 Å²	42.2	9%	0.091	22%	0.216	C	C	.	.			trans	-61.9	141.9	170	0	0	0	0	0	112.1	V462 Y504 W505 Y506 G516	V462-A514 PolarHBondContact O-N 2.87Å; Y504-A514 HydrophobicContact CD1-CB 4.32Å; W505-A514 WeakPolarHBondContact O-CA 3.39Å; Y506-A514 HydrophobicContact CD1-CB 4.32Å; Y506-A514 VanDerWaalsContact CE1-CA 3.48Å; Y506-A514 HydrophobicContact CE1-CB 3.85Å; A514-G516 VanDerWaalsContact C-N 3.28Å
515	E	81.4	Confident	82.3	Confident	86 Å²	86	43.2 Å²	43.2	40%	0.402	22%	0.223	S	C	.	.	S	Bend	trans	-71.8	-27.6	166.7	-179.2	77.8	178.9	0	0	110.1	F494 W505 N507	F494-E515 HydrophobicContact CE1-CG 3.9Å; W505-E515 PolarHBondContact O-N 3.43Å; N507-E515 PolarHBondContact ND2-OE2 3.49Å
516	G	82.3	Confident	81.9	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	174	167.4	0	0	0	0	0	113.9	W505 A514	W505-G516 PolarHBondContact N-O 2.91Å; W505-G516 PolarHBondContact O-N 2.83Å; A514-G516 VanDerWaalsContact C-N 3.28Å
517	L	83.9	Confident	81.3	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.6	-176.8	164.2	62.1	0	0	0	109.2	N502 Y504 S586 E587	N502-L517 HydrophobicContact CB-CD1 3.73Å; Y504-L517 HydrophobicContact CD1-CB 4.29Å; Y504-L517 HydrophobicContact CD1-CD1 3.9Å; Y504-L517 HydrophobicContact CE1-CB 4.5Å; Y504-L517 HydrophobicContact CE1-CD1 3.72Å; Y504-L517 HydrophobicContact CE1-CD2 4.19Å; Y504-L517 HydrophobicContact CE1-CG 4.35Å; Y504-L517 HydrophobicContact CE2-CD1 4.34Å; Y504-L517 HydrophobicContact CG-CD1 4.3Å; L517-S586 CarbonylContact O-C 3.52Å; L517-S586 WeakPolarHBondContact O-CA 3.29Å; L517-S586 WeakPolarHBondContact O-CB 3.09Å; L517-E587 HydrophobicContact CB-CB 4.31Å; L517-E587 HydrophobicContact CB-CG 4.45Å; L517-E587 PolarHBondContact O-N 2.74Å
518	L	86	Confident	80.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121	174.6	174.3	59.6	0	0	0	110.4	L503 W505 I520 Y523 M539 F547	L503-L518 PolarHBondContact N-O 3.11Å; L503-L518 PolarHBondContact O-N 2.84Å; W505-L518 HydrophobicContact CH2-CB 4.47Å; W505-L518 HydrophobicContact CZ3-CB 3.85Å; L518-I520 HydrophobicContact CG-CG2 4.43Å; L518-Y523 HydrophobicContact CD1-CD2 4.41Å; L518-Y523 HydrophobicContact CD1-CE2 3.73Å; L518-M539 HydrophobicContact CD2-CE 3.35Å; L518-M539 HydrophobicContact CG-CE 4.18Å; L518-F547 HydrophobicContact CD1-CD2 4.34Å; L518-F547 HydrophobicContact CD1-CE2 3.69Å; L518-F547 HydrophobicContact CD1-CZ 4.46Å; L518-F547 HydrophobicContact CD2-CD2 3.44Å; L518-F547 VanDerWaalsContact CD2-CD2 3.44Å; L518-F547 HydrophobicContact CD2-CE2 3.55Å; L518-F547 HydrophobicContact CD2-CG 4.2Å; L518-F547 HydrophobicContact CD2-CZ 4.37Å; L518-F547 HydrophobicContact CG-CE2 4.26Å
519	N	85.5	Confident	79.3	Confident	14 Å²	14	47.9 Å²	47.9	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.4	166.6	-171.4	-4.1	0	0	0	109.5	P501 S521 Y523 E583 Y585	P501-N519 WeakPolarHBondContact CB-OD1 3.25Å; P501-N519 WeakPolarHBondContact O-CA 3.46Å; P501-N519 PolarHBondContact O-OD1 3.34Å; N519-S521 PolarHBondContact ND2-OG 2.92Å; N519-S521 WeakPolarHBondContact OD1-CB 3.39Å; N519-S521 PolarHBondContact OD1-N 2.95Å; N519-S521 VanDerWaalsContact OD1-N 3.15Å; N519-S521 PolarHBondContact OD1-OG 2.77Å; N519-S521 VanDerWaalsContact OD1-OG 3.12Å; N519-Y523 WeakPolarHBondContact O-CD2 3.36Å; N519-E583 PolarHBondContact ND2-O 3.12Å; N519-Y585 PolarHBondContact N-O 2.8Å
520	I	87.4	Confident	77.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.			trans	-95.7	-5.5	-176.2	75.1	174.6	0	0	0	113.3	L498 P501 L503 L518 S522 Y523 M539 L564 A567 I568	L498-I520 HydrophobicContact CD1-CD1 3.81Å; P501-I520 WeakPolarHBondContact O-CG1 3.37Å; P501-I520 PolarHBondContact O-N 3.16Å; L503-I520 HydrophobicContact CB-CG2 3.88Å; L503-I520 HydrophobicContact CD2-CG2 4.49Å; L518-I520 HydrophobicContact CG-CG2 4.43Å; I520-S522 VanDerWaalsContact C-N 3.25Å; I520-S522 PolarHBondContact O-N 2.86Å; I520-Y523 PolarHBondContact O-N 2.91Å; I520-Y523 VanDerWaalsContact O-N 3.11Å; I520-M539 HydrophobicContact CB-CE 4.27Å; I520-M539 HydrophobicContact CB-SD 4.34Å; I520-M539 HydrophobicContact CG2-CE 3.52Å; I520-M539 HydrophobicContact CG2-SD 4.09Å; I520-L564 HydrophobicContact CD1-CB 4.38Å; I520-L564 HydrophobicContact CD1-CD2 3.5Å; I520-A567 HydrophobicContact CD1-CB 4.01Å; I520-I568 HydrophobicContact CB-CG1 4.42Å; I520-I568 HydrophobicContact CD1-CD1 4.22Å; I520-I568 HydrophobicContact CD1-CG1 3.84Å; I520-I568 HydrophobicContact CG1-CD1 4.29Å; I520-I568 HydrophobicContact CG1-CG1 3.76Å; I520-I568 WeakPolarHBondContact O-CG1 3.44Å
521	S	78.3	Confident	77.4	Confident	12 Å²	12	51.5 Å²	51.5	8%	0.084	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.4	-170.3	62.4	0	0	0	0	114.6	N519 H571 K572	N519-S521 PolarHBondContact ND2-OG 2.92Å; N519-S521 WeakPolarHBondContact OD1-CB 3.39Å; N519-S521 PolarHBondContact OD1-N 2.95Å; N519-S521 VanDerWaalsContact OD1-N 3.15Å; N519-S521 PolarHBondContact OD1-OG 2.77Å; N519-S521 VanDerWaalsContact OD1-OG 3.12Å; S521-H571 WeakPolarHBondContact CB-ND1 3.45Å; S521-K572 VanDerWaalsContact O-CE 3.25Å; S521-K572 WeakPolarHBondContact O-CE 3.06Å
522	S	75.9	Confident	76.6	Confident	36 Å²	36	60.4 Å²	60.4	25%	0.252	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-17.1	-179.7	53.7	0	0	0	0	114	I520 H541 C584	I520-S522 VanDerWaalsContact C-N 3.25Å; I520-S522 PolarHBondContact O-N 2.86Å; S522-H541 PolarHBondContact O-CD2 2.93Å; S522-C584 VanDerWaalsContact CB-SG 3.54Å; S522-C584 PolarHBondContact OG-SG 3.12Å
523	Y	81.9	Confident	76.4	Confident	9 Å²	9	58.5 Å²	58.5	4%	0.035	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-79.7	146.8	-175.7	-80.8	-107.8	0	0	0	112.3	L518 N519 I520 M539 T540 H541 F544 Q545 F547	L518-Y523 HydrophobicContact CD1-CD2 4.41Å; L518-Y523 HydrophobicContact CD1-CE2 3.73Å; N519-Y523 WeakPolarHBondContact O-CD2 3.36Å; I520-Y523 PolarHBondContact O-N 2.91Å; I520-Y523 VanDerWaalsContact O-N 3.11Å; Y523-M539 HydrophobicContact CD1-CB 4.37Å; Y523-M539 HydrophobicContact CD1-CG 3.88Å; Y523-M539 HydrophobicContact CG-CG 4.12Å; Y523-T540 VanDerWaalsContact CA-O 3.31Å; Y523-T540 WeakPolarHBondContact CA-O 3.32Å; Y523-T540 VanDerWaalsContact CD1-O 3.24Å; Y523-T540 WeakPolarHBondContact CD1-O 3.35Å; Y523-H541 HydrophobicContact CD1-CB 3.81Å; Y523-H541 HydrophobicContact CD2-CB 4.33Å; Y523-H541 HydrophobicContact CE1-CB 3.59Å; Y523-H541 HydrophobicContact CE2-CB 4.12Å; Y523-H541 HydrophobicContact CG-CB 4.18Å; Y523-F544 WeakPolarHBondContact OH-CB 3.48Å; Y523-Q545 WeakPolarHBondContact CE1-O 3.4Å; Y523-Q545 PolarHBondContact OH-O 3.45Å; Y523-F547 HydrophobicContact CE1-CD2 4Å; Y523-F547 HydrophobicContact CE1-CE2 4.17Å
524	S	81.4	Confident	76.1	Confident	58 Å²	58	60.5 Å²	60.5	41%	0.406	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.8	165.5	26.9	0	0	0	0	110.8	M539 T540	S524-M539 CarbonylContact O-C 3.35Å; S524-M539 VanDerWaalsContact O-CA 3.31Å; S524-M539 WeakPolarHBondContact O-CA 3.31Å; S524-T540 WeakPolarHBondContact CB-OG1 3.48Å; S524-T540 PolarHBondContact N-O 2.7Å; S524-T540 PolarHBondContact O-N 2.82Å; S524-T540 PolarHBondContact O-OG1 2.91Å; S524-T540 PolarHBondContact OG-O 3.48Å; S524-T540 PolarHBondContact OG-OG1 3.14Å
525	L	85.8	Confident	76	Confident	43 Å²	43	63.1 Å²	63.1	23%	0.225	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132	168.1	-89.8	80.1	0	0	0	109.6	M539 I561 L564 I565 I568	L525-M539 HydrophobicContact CD1-CG 4.16Å; L525-M539 HydrophobicContact CD1-SD 3.91Å; L525-M539 HydrophobicContact CG-SD 4.46Å; L525-I561 HydrophobicContact CD2-CG1 4.41Å; L525-I561 HydrophobicContact CD2-CG2 4.37Å; L525-L564 HydrophobicContact CD1-CB 4.15Å; L525-L564 HydrophobicContact CD2-CB 3.74Å; L525-L564 HydrophobicContact CD2-CD1 3.95Å; L525-I565 HydrophobicContact CD2-CG1 4.38Å; L525-I568 HydrophobicContact CD1-CD1 3.49Å; L525-I568 VanDerWaalsContact CD1-CD1 3.49Å
526	E	82.6	Confident	76.2	Confident	88 Å²	88	59.8 Å²	59.8	41%	0.411	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.4	177.3	-75.9	163.1	-147	0	0	110	Q538 T540	E526-Q538 HydrophobicContact CB-CB 4.26Å; E526-Q538 PolarHBondContact N-O 3.48Å; E526-Q538 PolarHBondContact O-N 2.97Å; E526-Q538 PolarHBondContact OE2-NE2 3.38Å; E526-Q538 VanDerWaalsContact OE2-NE2 3.14Å; E526-T540 VanDerWaalsContact CD-OG1 3.31Å; E526-T540 HydrophobicContact CG-CG2 4.48Å; E526-T540 WeakPolarHBondContact OE1-CB 3.32Å; E526-T540 WeakPolarHBondContact OE1-CG2 3.31Å; E526-T540 PolarHBondContact OE1-OG1 3.47Å; E526-T540 VanDerWaalsContact OE2-CG2 3.22Å; E526-T540 WeakPolarHBondContact OE2-CG2 3.24Å
527	G	74	Confident	76.5	Confident	70 Å²	70	59.7 Å²	59.7	72%	0.722	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.1	169.2	0	0	0	0	0	109.9	G529	G527-G529 PolarHBondContact O-N 2.91Å
528	G	64.8	Low	76.7	Confident	24 Å²	24	60.5 Å²	60.5	25%	0.247	33%	0.325	C	S	.	.			trans	-66.6	125.5	175.9	0	0	0	0	0	110.3	V536	G528-V536 WeakPolarHBondContact CA-O 3.3Å; G528-V536 PolarHBondContact N-O 3.39Å
529	G	60.4	Low	76.8	Confident	47 Å²	47	60.5 Å²	60.5	49%	0.485	32%	0.324	S	S	.	.			trans	-65.4	-177.9	172.4	0	0	0	0	0	112.8	G527 H531	G527-G529 PolarHBondContact O-N 2.91Å; G529-H531 PolarHBondContact O-N 2.93Å
530	E	53.4	Low	76.6	Confident	202 Å²	202	60.2 Å²	60.2	94%	0.944	32%	0.323	S	S	*	.	S	Bend	trans	-59	112.2	-174.7	-66	-161.7	146.7	0	0	112.5
531	H	63.5	Low	76.3	Confident	72 Å²	72	61.8 Å²	61.8	33%	0.333	33%	0.331	S	S	.	.			trans	-133.4	151.4	179.9	-72.3	-19.6	0	0	0	109.1	G529 R533 V536 F548	G529-H531 PolarHBondContact O-N 2.93Å; H531-R533 PolarHBondContact O-N 3.18Å; H531-V536 HydrophobicContact CB-CG2 4.35Å; H531-F548 AromaticContact NE2-CD1 3.58Å; H531-F548 AromaticContact NE2-CE1 3.54Å
532	K	61.4	Low	75.9	Confident	223 Å²	223	70.7 Å²	70.7	97%	0.97	37%	0.371	S	S	*	.	S	Bend	trans	-66.7	15.5	-179.9	-61.2	-172.2	178.1	-175.9	0	114.6
533	R	70.3	Confident	75.3	Confident	88 Å²	88	75.2 Å²	75.2	33%	0.332	39%	0.386	S	S	.	.	S	Bend	trans	-130.5	143.6	174.2	-73.6	-170.9	170.3	-143.3	-2.3	109.3	W477 H531 V536	W477-R533 VanDerWaalsContact CE3-NH1 3.28Å; H531-R533 PolarHBondContact O-N 3.18Å; R533-V536 HydrophobicContact CB-CG2 4.2Å; R533-V536 VanDerWaalsContact O-CG2 3.29Å; R533-V536 WeakPolarHBondContact O-CG2 3.41Å
534	K	74.8	Confident	74.9	Confident	171 Å²	171	78.6 Å²	78.6	74%	0.743	40%	0.401	S	S	*	.	S	Bend	trans	-76.9	158	175.5	-59.3	-175.7	-179.5	-176.4	0	110.2	S550	K534-S550 PolarHBondContact O-OG 3.16Å
535	H	81.8	Confident	74.8	Confident	66 Å²	66	78.3 Å²	78.3	31%	0.306	39%	0.393	S	S	.	.	S	Bend	trans	52.4	66.7	173.5	-38.6	123.3	0	0	0	113.5	S550 V551 L557	H535-S550 WeakPolarHBondContact O-CA 3.42Å; H535-V551 HydrophobicContact CB-CG2 3.42Å; H535-V551 VanDerWaalsContact CB-CG2 3.42Å; H535-V551 PolarHBondContact O-N 3.37Å; H535-V551 VanDerWaalsContact O-N 3.09Å; H535-L557 HydrophobicContact CB-CB 4.42Å; H535-L557 HydrophobicContact CB-CD2 4.15Å
536	V	85.1	Confident	74.7	Confident	16 Å²	16	79.1 Å²	79.1	10%	0.097	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.7	179.2	-166.2	0	0	0	0	110.4	W491 G528 H531 R533 F549	W491-V536 HydrophobicContact CH2-CG1 3.8Å; G528-V536 WeakPolarHBondContact CA-O 3.3Å; G528-V536 PolarHBondContact N-O 3.39Å; H531-V536 HydrophobicContact CB-CG2 4.35Å; R533-V536 HydrophobicContact CB-CG2 4.2Å; R533-V536 VanDerWaalsContact O-CG2 3.29Å; R533-V536 WeakPolarHBondContact O-CG2 3.41Å; V536-F549 CarbonylContact C-O 3.52Å; V536-F549 WeakPolarHBondContact CA-O 3.47Å; V536-F549 VanDerWaalsContact CG1-O 3.27Å; V536-F549 WeakPolarHBondContact CG1-O 3.2Å
537	F	88.6	Confident	74.9	Confident	1 Å²	1	75.4 Å²	75.4	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.4	169	66.9	-82.5	0	0	0	110.7	L476 F549 V551 L557 W560 I561 L564	L476-F537 HydrophobicContact CD1-CZ 4.2Å; L476-F537 HydrophobicContact CD2-CE1 4.4Å; F537-F549 HydrophobicContact CD1-CB 3.98Å; F537-F549 HydrophobicContact CD2-CB 4.23Å; F537-F549 HydrophobicContact CD2-CD2 4.14Å; F537-F549 HydrophobicContact CE1-CB 3.54Å; F537-F549 HydrophobicContact CE2-CB 3.8Å; F537-F549 AromaticContact CE2-CD2 3.64Å; F537-F549 HydrophobicContact CE2-CD2 3.64Å; F537-F549 HydrophobicContact CE2-CG 4.01Å; F537-F549 HydrophobicContact CG-CB 4.32Å; F537-F549 HydrophobicContact CZ-CB 3.45Å; F537-F549 VanDerWaalsContact CZ-CB 3.45Å; F537-F549 HydrophobicContact CZ-CD2 4.07Å; F537-F549 AromaticContact CZ-CG 3.96Å; F537-F549 HydrophobicContact CZ-CG 3.96Å; F537-F549 PolarHBondContact N-O 3.04Å; F537-F549 PolarHBondContact O-N 3.01Å; F537-V551 HydrophobicContact CE1-CG1 4.28Å; F537-L557 HydrophobicContact CB-CD1 4.19Å; F537-L557 HydrophobicContact CD1-CD1 3.61Å; F537-L557 HydrophobicContact CE1-CD1 4.44Å; F537-L557 HydrophobicContact CG-CD1 4.3Å; F537-W560 HydrophobicContact CE1-CB 4.34Å; F537-W560 HydrophobicContact CZ-CB 4.22Å; F537-I561 HydrophobicContact CB-CD1 4.25Å; F537-I561 HydrophobicContact CB-CG1 4.42Å; F537-I561 HydrophobicContact CG-CG1 4.42Å; F537-L564 HydrophobicContact CE2-CD1 3.61Å; F537-L564 HydrophobicContact CZ-CD1 4.11Å
538	Q	88.4	Confident	75.5	Confident	30 Å²	30	74.3 Å²	74.3	14%	0.14	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.5	-178	-173.1	174.8	-60.7	0	0	109.2	E526 T540 F547 F548	E526-Q538 HydrophobicContact CB-CB 4.26Å; E526-Q538 PolarHBondContact N-O 3.48Å; E526-Q538 PolarHBondContact O-N 2.97Å; E526-Q538 PolarHBondContact OE2-NE2 3.38Å; E526-Q538 VanDerWaalsContact OE2-NE2 3.14Å; Q538-T540 HydrophobicContact CG-CG2 3.82Å; Q538-F547 CarbonylContact C-O 3.52Å; Q538-F547 WeakPolarHBondContact CA-O 3.38Å; Q538-F548 HydrophobicContact CG-CD1 4.29Å; Q538-F548 HydrophobicContact CG-CE1 4.19Å; Q538-F548 HydrophobicContact CG-CZ 4.45Å
539	M	87.2	Confident	76.8	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.8	175	-156.4	153.6	74.6	0	0	107.8	L503 L518 I520 Y523 S524 L525 N546 F547 F549	L503-M539 HydrophobicContact CD2-CE 4.17Å; L518-M539 HydrophobicContact CD2-CE 3.35Å; L518-M539 HydrophobicContact CG-CE 4.18Å; I520-M539 HydrophobicContact CB-CE 4.27Å; I520-M539 HydrophobicContact CB-SD 4.34Å; I520-M539 HydrophobicContact CG2-CE 3.52Å; I520-M539 HydrophobicContact CG2-SD 4.09Å; Y523-M539 HydrophobicContact CD1-CB 4.37Å; Y523-M539 HydrophobicContact CD1-CG 3.88Å; Y523-M539 HydrophobicContact CG-CG 4.12Å; S524-M539 CarbonylContact O-C 3.35Å; S524-M539 VanDerWaalsContact O-CA 3.31Å; S524-M539 WeakPolarHBondContact O-CA 3.31Å; L525-M539 HydrophobicContact CD1-CG 4.16Å; L525-M539 HydrophobicContact CD1-SD 3.91Å; L525-M539 HydrophobicContact CG-SD 4.46Å; M539-N546 WeakPolarHBondContact O-CA 3.37Å; M539-F547 PolarHBondContact N-O 3.36Å; M539-F547 PolarHBondContact O-N 2.97Å; M539-F549 HydrophobicContact CB-CE2 4.14Å; M539-F549 HydrophobicContact CE-CE2 4.14Å
540	T	81.1	Confident	78.2	Confident	8 Å²	8	71.2 Å²	71.2	5%	0.049	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.3	-166.7	48	0	0	0	0	113.4	Y523 S524 E526 Q538 N546	Y523-T540 VanDerWaalsContact CA-O 3.31Å; Y523-T540 WeakPolarHBondContact CA-O 3.32Å; Y523-T540 VanDerWaalsContact CD1-O 3.24Å; Y523-T540 WeakPolarHBondContact CD1-O 3.35Å; S524-T540 WeakPolarHBondContact CB-OG1 3.48Å; S524-T540 PolarHBondContact N-O 2.7Å; S524-T540 PolarHBondContact O-N 2.82Å; S524-T540 PolarHBondContact O-OG1 2.91Å; S524-T540 PolarHBondContact OG-O 3.48Å; S524-T540 PolarHBondContact OG-OG1 3.14Å; E526-T540 VanDerWaalsContact CD-OG1 3.31Å; E526-T540 HydrophobicContact CG-CG2 4.48Å; E526-T540 WeakPolarHBondContact OE1-CB 3.32Å; E526-T540 WeakPolarHBondContact OE1-CG2 3.31Å; E526-T540 PolarHBondContact OE1-OG1 3.47Å; E526-T540 VanDerWaalsContact OE2-CG2 3.22Å; E526-T540 WeakPolarHBondContact OE2-CG2 3.24Å; Q538-T540 HydrophobicContact CG-CG2 3.82Å; T540-N546 VanDerWaalsContact CA-OD1 3.24Å; T540-N546 WeakPolarHBondContact CA-OD1 3.25Å; T540-N546 HydrophobicContact CG2-CB 4.39Å
541	H	80.8	Confident	79.9	Confident	34 Å²	34	61.8 Å²	61.8	16%	0.157	28%	0.279	C	S	.	.			trans	-147.6	140.5	171.7	-169.1	-94.5	0	0	0	111.1	S522 Y523 K543 F544 N546	S522-H541 PolarHBondContact O-CD2 2.93Å; Y523-H541 HydrophobicContact CD1-CB 3.81Å; Y523-H541 HydrophobicContact CD2-CB 4.33Å; Y523-H541 HydrophobicContact CE1-CB 3.59Å; Y523-H541 HydrophobicContact CE2-CB 4.12Å; Y523-H541 HydrophobicContact CG-CB 4.18Å; H541-K543 VanDerWaalsContact C-N 3.32Å; H541-K543 PolarHBondContact ND1-N 3.33Å; H541-K543 PolarHBondContact O-N 3.05Å; H541-F544 HydrophobicContact CB-CB 4.14Å; H541-F544 AromaticContact CE1-CD2 3.19Å; H541-F544 WeakPolarHBondContact CE1-CD2 3.23Å; H541-F544 AromaticContact CE1-CE2 3.54Å; H541-F544 AromaticContact CG-CD2 3.89Å; H541-F544 AromaticContact ND1-CD2 3.11Å; H541-F544 WeakPolarHBondContact ND1-CD2 3.48Å; H541-F544 AromaticContact ND1-CE2 3.93Å; H541-F544 AromaticContact ND1-CG 3.65Å; H541-F544 PolarHBondContact ND1-N 3.13Å; H541-F544 AromaticContact NE2-CD2 3.96Å; H541-N546 PolarHBondContact N-OD1 3.37Å
542	Q	70	Confident	80.9	Confident	198 Å²	198	62.5 Å²	62.5	93%	0.925	29%	0.285	S	S	*	.	S	Bend	trans	-68.1	-29.5	-175.1	-166.4	179.5	14.7	0	0	113.5
543	K	64.1	Low	82.2	Confident	132 Å²	132	53.8 Å²	53.8	57%	0.574	25%	0.253	S	S	*	.	S	Bend	trans	-108.4	-8.8	-178.4	-52.4	-172.8	-178.2	-173	0	115.5	H541 E581	H541-K543 VanDerWaalsContact C-N 3.32Å; H541-K543 PolarHBondContact ND1-N 3.33Å; H541-K543 PolarHBondContact O-N 3.05Å; K543-E581 IonicContact NZ-OE2 2.69Å; K543-E581 PolarHBondContact NZ-OE2 3.06Å
544	F	74.4	Confident	82.9	Confident	80 Å²	80	51.9 Å²	51.9	35%	0.351	26%	0.256	S	S	.	.	S	Bend	trans	-134.7	169	-168.3	-62.2	-54.5	0	0	0	111.9	Y523 H541 N546 C584	Y523-F544 WeakPolarHBondContact OH-CB 3.48Å; H541-F544 HydrophobicContact CB-CB 4.14Å; H541-F544 AromaticContact CE1-CD2 3.19Å; H541-F544 WeakPolarHBondContact CE1-CD2 3.23Å; H541-F544 AromaticContact CE1-CE2 3.54Å; H541-F544 AromaticContact CG-CD2 3.89Å; H541-F544 AromaticContact ND1-CD2 3.11Å; H541-F544 WeakPolarHBondContact ND1-CD2 3.48Å; H541-F544 AromaticContact ND1-CE2 3.93Å; H541-F544 AromaticContact ND1-CG 3.65Å; H541-F544 PolarHBondContact ND1-N 3.13Å; H541-F544 AromaticContact NE2-CD2 3.96Å; F544-N546 PolarHBondContact O-N 2.84Å; F544-C584 HydrophobicContact CD2-CB 4.02Å; F544-C584 HydrophobicContact CE2-CB 3.34Å; F544-C584 HydrophobicContact CZ-CB 4.06Å
545	Q	77.4	Confident	83.4	Confident	51 Å²	51	48.3 Å²	48.3	24%	0.238	25%	0.248	C	C	.	.			trans	-62.7	127.7	-176.4	170.3	163.4	-3.7	0	0	113.3	Y523 F547	Y523-Q545 WeakPolarHBondContact CE1-O 3.4Å; Y523-Q545 PolarHBondContact OH-O 3.45Å; Q545-F547 HydrophobicContact CG-CE1 4.34Å; Q545-F547 HydrophobicContact CG-CZ 4.43Å; Q545-F547 WeakPolarHBondContact O-CD2 3.4Å; Q545-F547 VanDerWaalsContact O-CE2 3.25Å; Q545-F547 WeakPolarHBondContact O-CE2 3.42Å
546	N	84.8	Confident	83.7	Confident	61 Å²	61	48.2 Å²	48.2	33%	0.326	25%	0.25	S	C	.	.			trans	-67	139.9	166.2	-62.1	-15.4	0	0	0	112.2	M539 T540 H541 F544	M539-N546 WeakPolarHBondContact O-CA 3.37Å; T540-N546 VanDerWaalsContact CA-OD1 3.24Å; T540-N546 WeakPolarHBondContact CA-OD1 3.25Å; T540-N546 HydrophobicContact CG2-CB 4.39Å; H541-N546 PolarHBondContact N-OD1 3.37Å; F544-N546 PolarHBondContact O-N 2.84Å
547	F	86.3	Confident	83.9	Confident	9 Å²	9	49 Å²	49	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141	177.3	-63	-76.4	0	0	0	111.9	L518 Y523 Q538 M539 Q545 F549	L518-F547 HydrophobicContact CD1-CD2 4.34Å; L518-F547 HydrophobicContact CD1-CE2 3.69Å; L518-F547 HydrophobicContact CD1-CZ 4.46Å; L518-F547 HydrophobicContact CD2-CD2 3.44Å; L518-F547 VanDerWaalsContact CD2-CD2 3.44Å; L518-F547 HydrophobicContact CD2-CE2 3.55Å; L518-F547 HydrophobicContact CD2-CG 4.2Å; L518-F547 HydrophobicContact CD2-CZ 4.37Å; L518-F547 HydrophobicContact CG-CE2 4.26Å; Y523-F547 HydrophobicContact CE1-CD2 4Å; Y523-F547 HydrophobicContact CE1-CE2 4.17Å; Q538-F547 CarbonylContact C-O 3.52Å; Q538-F547 WeakPolarHBondContact CA-O 3.38Å; M539-F547 PolarHBondContact N-O 3.36Å; M539-F547 PolarHBondContact O-N 2.97Å; Q545-F547 HydrophobicContact CG-CE1 4.34Å; Q545-F547 HydrophobicContact CG-CZ 4.43Å; Q545-F547 WeakPolarHBondContact O-CD2 3.4Å; Q545-F547 VanDerWaalsContact O-CE2 3.25Å; Q545-F547 WeakPolarHBondContact O-CE2 3.42Å; F547-F549 HydrophobicContact CB-CD2 4.39Å; F547-F549 HydrophobicContact CB-CE2 3.51Å; F547-F549 HydrophobicContact CB-CZ 3.63Å; F547-F549 HydrophobicContact CG-CZ 4.31Å
548	F	87.9	Confident	83.8	Confident	47 Å²	47	52.1 Å²	52.1	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.3	178.6	-60.8	-105.8	0	0	0	109.9	K479 W491 H531 Q538	K479-F548 HydrophobicContact CB-CB 3.82Å; K479-F548 HydrophobicContact CD-CB 4.16Å; K479-F548 HydrophobicContact CD-CD2 4.26Å; K479-F548 HydrophobicContact CD-CG 4.17Å; K479-F548 PolarHBondContact N-O 2.93Å; W491-F548 HydrophobicContact CH2-CB 4Å; W491-F548 HydrophobicContact CZ3-CB 4.38Å; H531-F548 AromaticContact NE2-CD1 3.58Å; H531-F548 AromaticContact NE2-CE1 3.54Å; Q538-F548 HydrophobicContact CG-CD1 4.29Å; Q538-F548 HydrophobicContact CG-CE1 4.19Å; Q538-F548 HydrophobicContact CG-CZ 4.45Å
549	F	91.1	Very high	83.9	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137	-176.4	-57.8	-77.6	0	0	0	111.2	L476 W477 K478 F496 L503 V536 F537 M539 F547	L476-F549 HydrophobicContact CD1-CD1 4.14Å; L476-F549 HydrophobicContact CD1-CG 4.48Å; W477-F549 CarbonylContact O-C 3.59Å; W477-F549 VanDerWaalsContact O-CA 3.31Å; W477-F549 WeakPolarHBondContact O-CA 3.44Å; K478-F549 HydrophobicContact CB-CD1 4.4Å; K478-F549 HydrophobicContact CB-CE1 4.4Å; K478-F549 HydrophobicContact CD-CE1 4.35Å; K478-F549 HydrophobicContact CG-CD1 4.25Å; K478-F549 HydrophobicContact CG-CE1 3.87Å; F496-F549 HydrophobicContact CE1-CD1 4.36Å; F496-F549 AromaticContact CE1-CE1 3.66Å; F496-F549 HydrophobicContact CE1-CE1 3.66Å; F496-F549 HydrophobicContact CE1-CZ 4.45Å; F496-F549 HydrophobicContact CZ-CD1 4.08Å; F496-F549 AromaticContact CZ-CE1 3.64Å; F496-F549 HydrophobicContact CZ-CE1 3.64Å; L503-F549 HydrophobicContact CD2-CZ 4.43Å; V536-F549 CarbonylContact C-O 3.52Å; V536-F549 WeakPolarHBondContact CA-O 3.47Å; V536-F549 VanDerWaalsContact CG1-O 3.27Å; V536-F549 WeakPolarHBondContact CG1-O 3.2Å; F537-F549 HydrophobicContact CD1-CB 3.98Å; F537-F549 HydrophobicContact CD2-CB 4.23Å; F537-F549 HydrophobicContact CD2-CD2 4.14Å; F537-F549 HydrophobicContact CE1-CB 3.54Å; F537-F549 HydrophobicContact CE2-CB 3.8Å; F537-F549 AromaticContact CE2-CD2 3.64Å; F537-F549 HydrophobicContact CE2-CD2 3.64Å; F537-F549 HydrophobicContact CE2-CG 4.01Å; F537-F549 HydrophobicContact CG-CB 4.32Å; F537-F549 HydrophobicContact CZ-CB 3.45Å; F537-F549 VanDerWaalsContact CZ-CB 3.45Å; F537-F549 HydrophobicContact CZ-CD2 4.07Å; F537-F549 AromaticContact CZ-CG 3.96Å; F537-F549 HydrophobicContact CZ-CG 3.96Å; F537-F549 PolarHBondContact N-O 3.04Å; F537-F549 PolarHBondContact O-N 3.01Å; M539-F549 HydrophobicContact CB-CE2 4.14Å; M539-F549 HydrophobicContact CE-CE2 4.14Å; F547-F549 HydrophobicContact CB-CD2 4.39Å; F547-F549 HydrophobicContact CB-CE2 3.51Å; F547-F549 HydrophobicContact CB-CZ 3.63Å; F547-F549 HydrophobicContact CG-CZ 4.31Å
550	S	90.4	Very high	84.1	Confident	5 Å²	5	55.1 Å²	55.1	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.8	176.9	170.4	0	0	0	0	110.3	W477 K534 H535	W477-S550 WeakPolarHBondContact CB-O 3.36Å; W477-S550 PolarHBondContact N-O 3.27Å; W477-S550 PolarHBondContact O-N 2.98Å; K534-S550 PolarHBondContact O-OG 3.16Å; H535-S550 WeakPolarHBondContact O-CA 3.42Å
551	V	88.3	Confident	84.5	Confident	4 Å²	4	57 Å²	57	2%	0.024	30%	0.297	C	S	.	.			trans	-115.5	157.3	179.2	-68.6	0	0	0	0	111.3	L476 H535 F537 S553 D556 L557	L476-V551 HydrophobicContact CD2-CG1 3.32Å; H535-V551 HydrophobicContact CB-CG2 3.42Å; H535-V551 VanDerWaalsContact CB-CG2 3.42Å; H535-V551 PolarHBondContact O-N 3.37Å; H535-V551 VanDerWaalsContact O-N 3.09Å; F537-V551 HydrophobicContact CE1-CG1 4.28Å; V551-S553 WeakPolarHBondContact CG2-O 3.28Å; V551-D556 HydrophobicContact CB-CB 4.21Å; V551-D556 HydrophobicContact CG1-CB 4.35Å; V551-L557 HydrophobicContact CG2-CB 3.66Å; V551-L557 HydrophobicContact CG2-CD1 4Å; V551-L557 HydrophobicContact CG2-CG 4.41Å
552	D	85.5	Confident	84.9	Confident	88 Å²	88	60 Å²	60	47%	0.471	31%	0.314	S	S	.	.	S	Bend	trans	-78.5	-20	-178.8	-55.3	-51.1	0	0	0	112.5	W477 R493	W477-D552 PolarHBondContact NE1-OD1 3.39Å; R493-D552 IonicContact CZ-OD2 2.65Å; R493-D552 IonicContact NE-OD2 3.06Å; R493-D552 IonicContact NH2-OD2 3.37Å; R493-D552 PolarHBondContact NH2-OD2 3.19Å
553	S	87.4	Confident	85.8	Confident	40 Å²	40	51.9 Å²	51.9	28%	0.28	28%	0.279	S	S	.	.			trans	-137.8	150.1	179.9	-179.6	0	0	0	0	114.5	V551 T555 D556 L557	V551-S553 WeakPolarHBondContact CG2-O 3.28Å; S553-T555 VanDerWaalsContact C-N 3.27Å; S553-T555 WeakPolarHBondContact CB-OG1 3.4Å; S553-T555 PolarHBondContact O-N 2.89Å; S553-T555 PolarHBondContact OG-N 3.29Å; S553-T555 PolarHBondContact OG-OG1 3.11Å; S553-D556 WeakPolarHBondContact CB-OD2 3.39Å; S553-D556 PolarHBondContact O-N 3.42Å; S553-D556 VanDerWaalsContact O-N 3.15Å; S553-L557 PolarHBondContact O-N 3.09Å
554	A	84.9	Confident	87.1	Confident	48 Å²	48	45.7 Å²	45.7	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-26.9	171.3	0	0	0	0	0	113.5	D556 S558	A554-D556 VanDerWaalsContact C-N 3.32Å; A554-S558 PolarHBondContact O-N 2.97Å; A554-S558 VanDerWaalsContact O-N 3.1Å; A554-S558 PolarHBondContact O-OG 3.39Å
555	T	86.9	Confident	87.7	Confident	95 Å²	95	44.8 Å²	44.8	58%	0.583	25%	0.25	S	S	*	.	H	α-helix	trans	-64.2	-41	171.4	53.9	0	0	0	0	110.9	S553 S558 K559	S553-T555 VanDerWaalsContact C-N 3.27Å; S553-T555 WeakPolarHBondContact CB-OG1 3.4Å; S553-T555 PolarHBondContact O-N 2.89Å; S553-T555 PolarHBondContact OG-N 3.29Å; S553-T555 PolarHBondContact OG-OG1 3.11Å; T555-S558 PolarHBondContact O-N 3.48Å; T555-K559 PolarHBondContact O-N 3.03Å
556	D	87.6	Confident	88.2	Confident	64 Å²	64	46.3 Å²	46.3	34%	0.342	26%	0.263	S	S	.	.	H	α-helix	trans	-76.4	-32.6	-178.5	-54.9	-23.2	0	0	0	110.5	V551 S553 A554 S558 K559 W560	V551-D556 HydrophobicContact CB-CB 4.21Å; V551-D556 HydrophobicContact CG1-CB 4.35Å; S553-D556 WeakPolarHBondContact CB-OD2 3.39Å; S553-D556 PolarHBondContact O-N 3.42Å; S553-D556 VanDerWaalsContact O-N 3.15Å; A554-D556 VanDerWaalsContact C-N 3.32Å; D556-S558 VanDerWaalsContact C-N 3.3Å; D556-S558 PolarHBondContact O-N 3.39Å; D556-K559 WeakPolarHBondContact O-CB 3.34Å; D556-K559 PolarHBondContact O-N 2.72Å; D556-W560 WeakPolarHBondContact O-CB 3.33Å; D556-W560 PolarHBondContact O-N 2.89Å
557	L	87.8	Confident	88.3	Confident	34 Å²	34	43.6 Å²	43.6	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-48.8	170.4	-171.5	65.3	0	0	0	110	H535 F537 V551 S553 W560 I561	H535-L557 HydrophobicContact CB-CB 4.42Å; H535-L557 HydrophobicContact CB-CD2 4.15Å; F537-L557 HydrophobicContact CB-CD1 4.19Å; F537-L557 HydrophobicContact CD1-CD1 3.61Å; F537-L557 HydrophobicContact CE1-CD1 4.44Å; F537-L557 HydrophobicContact CG-CD1 4.3Å; V551-L557 HydrophobicContact CG2-CB 3.66Å; V551-L557 HydrophobicContact CG2-CD1 4Å; V551-L557 HydrophobicContact CG2-CG 4.41Å; S553-L557 PolarHBondContact O-N 3.09Å; L557-W560 PolarHBondContact O-N 2.93Å; L557-I561 HydrophobicContact CD1-CD1 3.85Å; L557-I561 HydrophobicContact CD1-CG1 4.42Å; L557-I561 HydrophobicContact CG-CD1 3.82Å; L557-I561 WeakPolarHBondContact O-CB 3.16Å; L557-I561 VanDerWaalsContact O-CG1 3.32Å; L557-I561 WeakPolarHBondContact O-CG1 3.43Å; L557-I561 PolarHBondContact O-N 3.35Å
558	S	86.9	Confident	88.3	Confident	65 Å²	65	44 Å²	44	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-40.6	177.6	-54.6	0	0	0	0	111.9	A554 T555 D556 N562	A554-S558 PolarHBondContact O-N 2.97Å; A554-S558 VanDerWaalsContact O-N 3.1Å; A554-S558 PolarHBondContact O-OG 3.39Å; T555-S558 PolarHBondContact O-N 3.48Å; D556-S558 VanDerWaalsContact C-N 3.3Å; D556-S558 PolarHBondContact O-N 3.39Å; S558-N562 VanDerWaalsContact O-CB 3.24Å; S558-N562 WeakPolarHBondContact O-CB 3.32Å; S558-N562 VanDerWaalsContact O-CG 3.24Å; S558-N562 PolarHBondContact O-N 3.45Å; S558-N562 VanDerWaalsContact O-N 3.14Å; S558-N562 PolarHBondContact O-ND2 3.4Å
559	K	91	Very high	88.1	Confident	89 Å²	89	47 Å²	47	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-56.8	172.9	-173.5	-161.3	-177.8	-166.7	0	110.4	C472 D473 T555 D556 N562 S563	C472-K559 WeakPolarHBondContact SG-CE 3.43Å; D473-K559 PolarHBondContact O-NZ 3.39Å; D473-K559 IonicContact OD1-NZ 3.09Å; T555-K559 PolarHBondContact O-N 3.03Å; D556-K559 WeakPolarHBondContact O-CB 3.34Å; D556-K559 PolarHBondContact O-N 2.72Å; K559-N562 PolarHBondContact O-N 2.87Å; K559-S563 WeakPolarHBondContact O-CB 3.32Å; K559-S563 PolarHBondContact O-N 3.05Å; K559-S563 PolarHBondContact O-OG 3.11Å
560	W	91.3	Very high	87.6	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-47.3	-174.4	-82.8	106.5	0	0	0	113	C472 L476 F496 L498 L503 F537 D556 L557 N562 S563 L564	C472-W560 HydrophobicContact CB-CE3 4.41Å; C472-W560 HydrophobicContact CB-CZ3 4.16Å; L476-W560 HydrophobicContact CD1-CD2 4.17Å; L476-W560 HydrophobicContact CD1-CE3 4.33Å; L476-W560 HydrophobicContact CD1-CH2 4.41Å; L476-W560 HydrophobicContact CD1-CZ2 4.21Å; L476-W560 HydrophobicContact CD1-CZ3 4.45Å; L476-W560 HydrophobicContact CD2-CD2 4.07Å; L476-W560 HydrophobicContact CD2-CG 3.99Å; L476-W560 HydrophobicContact CD2-CZ2 4.34Å; L476-W560 HydrophobicContact CG-CD2 4.42Å; L476-W560 HydrophobicContact CG-CZ2 4.08Å; F496-W560 HydrophobicContact CB-CH2 3.57Å; F496-W560 HydrophobicContact CB-CZ2 3.96Å; F496-W560 HydrophobicContact CB-CZ3 4.43Å; L498-W560 HydrophobicContact CB-CZ3 4.31Å; L503-W560 HydrophobicContact CD1-CH2 4.46Å; L503-W560 HydrophobicContact CD1-CZ3 3.95Å; F537-W560 HydrophobicContact CE1-CB 4.34Å; F537-W560 HydrophobicContact CZ-CB 4.22Å; D556-W560 WeakPolarHBondContact O-CB 3.33Å; D556-W560 PolarHBondContact O-N 2.89Å; L557-W560 PolarHBondContact O-N 2.93Å; W560-N562 PolarHBondContact O-N 3.34Å; W560-S563 PolarHBondContact O-N 3.14Å; W560-L564 HydrophobicContact CE3-CD1 4.49Å; W560-L564 WeakPolarHBondContact O-CB 3.45Å; W560-L564 WeakPolarHBondContact O-CD1 3.43Å; W560-L564 WeakPolarHBondContact O-CG 3.33Å; W560-L564 PolarHBondContact O-N 2.99Å
561	I	89.6	Confident	86.9	Confident	46 Å²	46	53.3 Å²	53.3	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-47.1	178.5	-68.9	175.3	0	0	0	110.6	L525 F537 L557 S563 L564 I565	L525-I561 HydrophobicContact CD2-CG1 4.41Å; L525-I561 HydrophobicContact CD2-CG2 4.37Å; F537-I561 HydrophobicContact CB-CD1 4.25Å; F537-I561 HydrophobicContact CB-CG1 4.42Å; F537-I561 HydrophobicContact CG-CG1 4.42Å; L557-I561 HydrophobicContact CD1-CD1 3.85Å; L557-I561 HydrophobicContact CD1-CG1 4.42Å; L557-I561 HydrophobicContact CG-CD1 3.82Å; L557-I561 WeakPolarHBondContact O-CB 3.16Å; L557-I561 VanDerWaalsContact O-CG1 3.32Å; L557-I561 WeakPolarHBondContact O-CG1 3.43Å; L557-I561 PolarHBondContact O-N 3.35Å; I561-S563 PolarHBondContact O-N 3.25Å; I561-L564 PolarHBondContact O-N 2.88Å; I561-I565 HydrophobicContact CG2-CD1 3.59Å; I561-I565 HydrophobicContact CG2-CG1 4.33Å; I561-I565 WeakPolarHBondContact O-CB 3.31Å; I561-I565 VanDerWaalsContact O-CG1 3.28Å; I561-I565 WeakPolarHBondContact O-CG1 3.18Å; I561-I565 PolarHBondContact O-N 3.42Å
562	N	89.9	Confident	86.2	Confident	99 Å²	99	59.4 Å²	59.4	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-41.1	179.8	-73	-37.3	0	0	0	112.4	S558 K559 W560 T566	S558-N562 VanDerWaalsContact O-CB 3.24Å; S558-N562 WeakPolarHBondContact O-CB 3.32Å; S558-N562 VanDerWaalsContact O-CG 3.24Å; S558-N562 PolarHBondContact O-N 3.45Å; S558-N562 VanDerWaalsContact O-N 3.14Å; S558-N562 PolarHBondContact O-ND2 3.4Å; K559-N562 PolarHBondContact O-N 2.87Å; W560-N562 PolarHBondContact O-N 3.34Å; N562-T566 VanDerWaalsContact O-CB 3.24Å; N562-T566 WeakPolarHBondContact O-CB 3.32Å; N562-T566 PolarHBondContact O-N 3.4Å; N562-T566 PolarHBondContact O-OG1 3.32Å
563	S	89.3	Confident	85.5	Confident	27 Å²	27	65.5 Å²	65.5	19%	0.189	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-43.5	176	-70.2	0	0	0	0	112.6	K559 W560 I561 T566 A567	K559-S563 WeakPolarHBondContact O-CB 3.32Å; K559-S563 PolarHBondContact O-N 3.05Å; K559-S563 PolarHBondContact O-OG 3.11Å; W560-S563 PolarHBondContact O-N 3.14Å; I561-S563 PolarHBondContact O-N 3.25Å; S563-T566 PolarHBondContact O-N 2.84Å; S563-A567 WeakPolarHBondContact O-CB 3.44Å; S563-A567 PolarHBondContact O-N 3.42Å
564	L	89.6	Confident	84.1	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-65.9	-46.3	178.4	-69.9	167.3	0	0	0	111.5	L498 I520 L525 F537 W560 I561 T566 A567 I568	L498-L564 HydrophobicContact CD1-CD2 4.04Å; L498-L564 HydrophobicContact CD2-CD2 3.98Å; L498-L564 HydrophobicContact CD2-CG 4.47Å; I520-L564 HydrophobicContact CD1-CB 4.38Å; I520-L564 HydrophobicContact CD1-CD2 3.5Å; L525-L564 HydrophobicContact CD1-CB 4.15Å; L525-L564 HydrophobicContact CD2-CB 3.74Å; L525-L564 HydrophobicContact CD2-CD1 3.95Å; F537-L564 HydrophobicContact CE2-CD1 3.61Å; F537-L564 HydrophobicContact CZ-CD1 4.11Å; W560-L564 HydrophobicContact CE3-CD1 4.49Å; W560-L564 WeakPolarHBondContact O-CB 3.45Å; W560-L564 WeakPolarHBondContact O-CD1 3.43Å; W560-L564 WeakPolarHBondContact O-CG 3.33Å; W560-L564 PolarHBondContact O-N 2.99Å; I561-L564 PolarHBondContact O-N 2.88Å; L564-T566 VanDerWaalsContact C-N 3.33Å; L564-T566 PolarHBondContact O-N 3.47Å; L564-A567 PolarHBondContact O-N 2.88Å; L564-I568 WeakPolarHBondContact O-CG1 3.24Å; L564-I568 PolarHBondContact O-N 2.92Å
565	I	88.4	Confident	82.6	Confident	61 Å²	61	73.2 Å²	73.2	31%	0.313	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-44.7	174.3	-69.8	173	0	0	0	110.7	L525 I561 A567 I568 Q569	L525-I565 HydrophobicContact CD2-CG1 4.38Å; I561-I565 HydrophobicContact CG2-CD1 3.59Å; I561-I565 HydrophobicContact CG2-CG1 4.33Å; I561-I565 WeakPolarHBondContact O-CB 3.31Å; I561-I565 VanDerWaalsContact O-CG1 3.28Å; I561-I565 WeakPolarHBondContact O-CG1 3.18Å; I561-I565 PolarHBondContact O-N 3.42Å; I565-A567 PolarHBondContact O-N 3.43Å; I565-I568 PolarHBondContact O-N 3.36Å; I565-Q569 HydrophobicContact CG2-CG 4.29Å; I565-Q569 WeakPolarHBondContact O-CB 3.27Å; I565-Q569 WeakPolarHBondContact O-CG 3.46Å; I565-Q569 PolarHBondContact O-N 2.86Å
566	T	87.1	Confident	80.5	Confident	83 Å²	83	78.9 Å²	78.9	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-43.5	178.5	-60.5	0	0	0	0	111.2	N562 S563 L564 Q569 K570	N562-T566 VanDerWaalsContact O-CB 3.24Å; N562-T566 WeakPolarHBondContact O-CB 3.32Å; N562-T566 PolarHBondContact O-N 3.4Å; N562-T566 PolarHBondContact O-OG1 3.32Å; S563-T566 PolarHBondContact O-N 2.84Å; L564-T566 VanDerWaalsContact C-N 3.33Å; L564-T566 PolarHBondContact O-N 3.47Å; T566-Q569 PolarHBondContact O-N 3.5Å; T566-K570 WeakPolarHBondContact O-CB 3.35Å; T566-K570 PolarHBondContact O-N 3.26Å
567	A	86.2	Confident	78.4	Confident	4 Å²	4	78.7 Å²	78.7	3%	0.033	39%	0.393	C	S	.	.	H	α-helix	trans	-63	-44.3	176.8	0	0	0	0	0	112.8	L498 G500 I520 S563 L564 I565 K570 H571	L498-A567 HydrophobicContact CD1-CB 4.48Å; L498-A567 HydrophobicContact CD2-CB 4.15Å; G500-A567 WeakPolarHBondContact O-CB 3.14Å; I520-A567 HydrophobicContact CD1-CB 4.01Å; S563-A567 WeakPolarHBondContact O-CB 3.44Å; S563-A567 PolarHBondContact O-N 3.42Å; L564-A567 PolarHBondContact O-N 2.88Å; I565-A567 PolarHBondContact O-N 3.43Å; A567-K570 PolarHBondContact O-N 3.05Å; A567-H571 PolarHBondContact O-N 3.48Å
568	I	86.4	Confident	76.2	Confident	17 Å²	17	83.1 Å²	83.1	9%	0.087	42%	0.424	C	S	.	.	H	α-helix	trans	-64.2	-45.7	177.1	-66.2	164.9	0	0	0	110.9	I520 L525 L564 I565 K570 H571 K572	I520-I568 HydrophobicContact CB-CG1 4.42Å; I520-I568 HydrophobicContact CD1-CD1 4.22Å; I520-I568 HydrophobicContact CD1-CG1 3.84Å; I520-I568 HydrophobicContact CG1-CD1 4.29Å; I520-I568 HydrophobicContact CG1-CG1 3.76Å; I520-I568 WeakPolarHBondContact O-CG1 3.44Å; L525-I568 HydrophobicContact CD1-CD1 3.49Å; L525-I568 VanDerWaalsContact CD1-CD1 3.49Å; L564-I568 WeakPolarHBondContact O-CG1 3.24Å; L564-I568 PolarHBondContact O-N 2.92Å; I565-I568 PolarHBondContact O-N 3.36Å; I568-K570 PolarHBondContact O-N 3.29Å; I568-H571 WeakPolarHBondContact O-CB 3.16Å; I568-H571 PolarHBondContact O-N 3.25Å; I568-K572 HydrophobicContact CG2-CD 4.11Å; I568-K572 WeakPolarHBondContact O-CG 3.38Å; I568-K572 PolarHBondContact O-N 3.07Å
569	Q	83.8	Confident	74.1	Confident	112 Å²	112	88 Å²	88	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-37.2	177.4	-70.5	-177.7	10	0	0	112.5	I565 T566 H571 K572 R573	I565-Q569 HydrophobicContact CG2-CG 4.29Å; I565-Q569 WeakPolarHBondContact O-CB 3.27Å; I565-Q569 WeakPolarHBondContact O-CG 3.46Å; I565-Q569 PolarHBondContact O-N 2.86Å; T566-Q569 PolarHBondContact O-N 3.5Å; Q569-H571 VanDerWaalsContact C-N 3.33Å; Q569-K572 PolarHBondContact O-N 3.48Å; Q569-R573 WeakPolarHBondContact O-CG 3.32Å; Q569-R573 PolarHBondContact O-N 3.24Å; Q569-R573 VanDerWaalsContact O-N 3.08Å
570	K	81.3	Confident	71.8	Confident	103 Å²	103	88.8 Å²	88.8	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-62	-39.9	173.7	-177	178.4	177	-176.2	0	110.8	D471 T566 A567 I568 L574	D471-K570 IonicContact OD1-NZ 2.69Å; D471-K570 PolarHBondContact OD1-NZ 2.93Å; D471-K570 IonicContact OD2-NZ 3.56Å; T566-K570 WeakPolarHBondContact O-CB 3.35Å; T566-K570 PolarHBondContact O-N 3.26Å; A567-K570 PolarHBondContact O-N 3.05Å; I568-K570 PolarHBondContact O-N 3.29Å; K570-L574 WeakPolarHBondContact O-CG 3.48Å
571	H	75.6	Confident	69.5	Low	35 Å²	35	95 Å²	95	16%	0.162	48%	0.483	C	S	.	.	H	α-helix	trans	-66.8	-50.1	173.3	-159.4	-97.9	0	0	0	112.6	S521 A567 I568 Q569 R573 L574 Q575 E583	S521-H571 WeakPolarHBondContact CB-ND1 3.45Å; A567-H571 PolarHBondContact O-N 3.48Å; I568-H571 WeakPolarHBondContact O-CB 3.16Å; I568-H571 PolarHBondContact O-N 3.25Å; Q569-H571 VanDerWaalsContact C-N 3.33Å; H571-R573 PolarHBondContact O-N 3.1Å; H571-R573 VanDerWaalsContact O-N 3.1Å; H571-L574 PolarHBondContact O-N 3.17Å; H571-Q575 PolarHBondContact O-N 3.1Å; H571-Q575 VanDerWaalsContact O-N 3.12Å; H571-E583 IonicContact CE1-OE2 3.04Å
572	K	74.8	Confident	67.3	Low	131 Å²	131	100.9 Å²	100.9	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-66.8	-8.5	179.8	-68.2	-176	179.2	-175.7	0	114.2	S521 I568 Q569	S521-K572 VanDerWaalsContact O-CE 3.25Å; S521-K572 WeakPolarHBondContact O-CE 3.06Å; I568-K572 HydrophobicContact CG2-CD 4.11Å; I568-K572 WeakPolarHBondContact O-CG 3.38Å; I568-K572 PolarHBondContact O-N 3.07Å; Q569-K572 PolarHBondContact O-N 3.48Å
573	R	68.9	Low	64.9	Low	217 Å²	217	100.6 Å²	100.6	82%	0.819	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-15.1	168.9	-76.7	-177.9	175.4	-162.2	0.2	114.2	Q569 H571	Q569-R573 WeakPolarHBondContact O-CG 3.32Å; Q569-R573 PolarHBondContact O-N 3.24Å; Q569-R573 VanDerWaalsContact O-N 3.08Å; H571-R573 PolarHBondContact O-N 3.1Å; H571-R573 VanDerWaalsContact O-N 3.1Å
574	L	58.5	Low	62.5	Low	144 Å²	144	100.8 Å²	100.8	75%	0.754	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-37.1	179.1	-72.5	165.4	0	0	0	112	K570 H571	K570-L574 WeakPolarHBondContact O-CG 3.48Å; H571-L574 PolarHBondContact O-N 3.17Å
575	Q	54.4	Low	60.1	Low	106 Å²	106	104.4 Å²	104.4	50%	0.495	52%	0.519	S	S	.	.			trans	-84.7	119.2	170.6	-66.7	-74.4	25.5	0	0	110	H571 E583	H571-Q575 PolarHBondContact O-N 3.1Å; H571-Q575 VanDerWaalsContact O-N 3.12Å; Q575-E583 PolarHBondContact NE2-OE2 2.61Å
576	K	41.6	Very low	57.8	Low	214 Å²	214	102 Å²	102	93%	0.93	51%	0.508	S	S	*	.			trans	-135.6	67.8	173.4	-164.1	179.8	-179.1	-178.9	0	111.4
577	G	43.9	Very low	55.5	Low	59 Å²	59	101.3 Å²	101.3	61%	0.608	50%	0.499	S	S	*	.	S	Bend	trans	-145.7	179.6	173.4	0	0	0	0	0	110.3
578	P	40.9	Very low	53.2	Low	127 Å²	127	104.4 Å²	104.4	83%	0.825	52%	0.518	S	S	*	.	S	Bend	trans	-62	151.4	172.3	28.8	-34.7	0	0	0	111	N580	P578-N580 PolarHBondContact O-N 2.87Å; P578-N580 VanDerWaalsContact O-N 3.16Å
579	D	44.4	Very low	50.6	Low	168 Å²	168	108.1 Å²	108.1	90%	0.898	54%	0.535	S	S	*	.			trans	-66.3	111.3	-167.6	-138.2	-7.1	0	0	0	111.3	E581	D579-E581 PolarHBondContact O-N 3.44Å
580	N	41.1	Very low	48.1	Very low	105 Å²	105	108.4 Å²	108.4	56%	0.561	55%	0.549	S	S	*	.			trans	-98.8	92.8	-173.2	-161.8	74.6	0	0	0	109.7	P578 E582	P578-N580 PolarHBondContact O-N 2.87Å; P578-N580 VanDerWaalsContact O-N 3.16Å; N580-E582 PolarHBondContact ND2-OE2 3.3Å; N580-E582 VanDerWaalsContact ND2-OE2 3.11Å; N580-E582 PolarHBondContact O-N 3.37Å
581	E	44.4	Very low	45.5	Very low	137 Å²	137	110.5 Å²	110.5	64%	0.64	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-70.3	9.1	-164.3	56.6	-174	142.8	0	0	116.8	K543 D579	K543-E581 IonicContact NZ-OE2 2.69Å; K543-E581 PolarHBondContact NZ-OE2 3.06Å; D579-E581 PolarHBondContact O-N 3.44Å
582	E	43.4	Very low	43.2	Very low	169 Å²	169	114 Å²	114	79%	0.79	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-79.4	-12.7	179.1	-62.5	-178.8	121.8	0	0	114.9	N580	N580-E582 PolarHBondContact ND2-OE2 3.3Å; N580-E582 VanDerWaalsContact ND2-OE2 3.11Å; N580-E582 PolarHBondContact O-N 3.37Å
583	E	39.8	Very low	41.2	Very low	93 Å²	93	116.5 Å²	116.5	44%	0.435	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-89.2	-2.2	-172.6	-64.9	-164.5	144.3	0	0	115.2	N519 H571 Q575 Y585	N519-E583 PolarHBondContact ND2-O 3.12Å; H571-E583 IonicContact CE1-OE2 3.04Å; Q575-E583 PolarHBondContact NE2-OE2 2.61Å; E583-Y585 PolarHBondContact O-N 2.89Å
584	C	37.7	Very low	39.1	Very low	30 Å²	30	110.3 Å²	110.3	20%	0.203	59%	0.593	C	S	.	*			trans	-78.4	34.9	-170.9	-69.2	0	0	0	0	116.1	S522 F544	S522-C584 VanDerWaalsContact CB-SG 3.54Å; S522-C584 PolarHBondContact OG-SG 3.12Å; F544-C584 HydrophobicContact CD2-CB 4.02Å; F544-C584 HydrophobicContact CE2-CB 3.34Å; F544-C584 HydrophobicContact CZ-CB 4.06Å
585	Y	40.1	Very low	37.7	Very low	77 Å²	77	108.9 Å²	108.9	30%	0.302	60%	0.595	S	S	.	*			trans	-73.8	132.7	-177.5	-167.1	-129	0	0	0	112.9	N519 E583 E587 E591	N519-Y585 PolarHBondContact N-O 2.8Å; E583-Y585 PolarHBondContact O-N 2.89Å; Y585-E587 HydrophobicContact CD1-CG 4.02Å; Y585-E587 HydrophobicContact CE1-CG 3.32Å; Y585-E591 VanDerWaalsContact CE2-CD 3.48Å; Y585-E591 HydrophobicContact CE2-CG 3.84Å; Y585-E591 WeakPolarHBondContact CE2-OE1 3.14Å
586	S	39	Very low	36.9	Very low	12 Å²	12	109.5 Å²	109.5	8%	0.084	61%	0.608	C	S	.	*	B	Isolated β-bridge	trans	-127.4	128.5	163.3	93.5	0	0	0	0	109.5	L517 T588	L517-S586 CarbonylContact O-C 3.52Å; L517-S586 WeakPolarHBondContact O-CA 3.29Å; L517-S586 WeakPolarHBondContact O-CB 3.09Å; S586-T588 PolarHBondContact O-N 2.82Å; S586-T588 PolarHBondContact OG-OG1 2.91Å
587	E	39.2	Very low	36	Very low	68 Å²	68	105.1 Å²	105.1	32%	0.318	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	31.4	-179.8	-70.1	-167.4	165.2	0	0	112.5	S458 L517 Y585	S458-E587 WeakPolarHBondContact CA-OE1 3.32Å; L517-E587 HydrophobicContact CB-CB 4.31Å; L517-E587 HydrophobicContact CB-CG 4.45Å; L517-E587 PolarHBondContact O-N 2.74Å; Y585-E587 HydrophobicContact CD1-CG 4.02Å; Y585-E587 HydrophobicContact CE1-CG 3.32Å
588	T	39.3	Very low	35.1	Very low	69 Å²	69	106.5 Å²	106.5	42%	0.423	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	-9	172.4	3.4	0	0	0	0	114	W505 S586	W505-T588 HydrophobicContact CH2-CG2 4.2Å; W505-T588 HydrophobicContact CZ2-CG2 3.77Å; S586-T588 PolarHBondContact O-N 2.82Å; S586-T588 PolarHBondContact OG-OG1 2.91Å
589	E	30.9	Very low	34.4	Very low	94 Å²	94	110.7 Å²	110.7	44%	0.439	60%	0.604	S	S	.	*	S	Bend	trans	-123	139	-180	-60.3	-168.7	130.5	0	0	110.1
590	S	30.1	Very low	33.5	Very low	118 Å²	118	112.8 Å²	112.8	83%	0.825	60%	0.599	S	S	*	*			trans	-89.8	121.4	-173.7	54.3	0	0	0	0	110.8
591	E	28.3	Very low	32.8	Very low	148 Å²	148	117.2 Å²	117.2	69%	0.692	61%	0.613	S	S	*	*			trans	-72.1	144.2	-162.8	-63.5	-168.8	120	0	0	117.1	Y585	Y585-E591 VanDerWaalsContact CE2-CD 3.48Å; Y585-E591 HydrophobicContact CE2-CG 3.84Å; Y585-E591 WeakPolarHBondContact CE2-OE1 3.14Å
592	S	26.9	Very low	31.8	Very low	108 Å²	108	118 Å²	118	76%	0.755	62%	0.622	S	S	*	*			trans	-151.8	140.4	161.2	56.6	0	0	0	0	104.8
593	E	32.3	Very low	31	Very low	184 Å²	184	119.8 Å²	119.8	86%	0.86	63%	0.627	S	S	*	*			cis	-137.6	-126.1	22.1	-65.7	-168.6	107.4	0	0	113.1
594	S	25.4	Very low	30.3	Very low	87 Å²	87	124.2 Å²	124.2	61%	0.608	65%	0.648	S	S	*	*			trans	-138.7	138.8	-160.5	64.2	0	0	0	0	116.9
595	S	29.6	Very low	29.7	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	68%	0.677	S	S	*	*			trans	70	168.3	152.4	-59.7	0	0	0	0	117.8
596	P	37.1	Very low	28.9	Very low	119 Å²	119	133.7 Å²	133.7	77%	0.773	70%	0.697	S	S	*	*			cis	-139.8	168.7	7.8	42.1	-24.2	0	0	0	119.4
597	S	23.2	Very low	28.3	Very low	122 Å²	122	140.9 Å²	140.9	85%	0.853	73%	0.729	S	S	*	*			trans	73.9	161.8	152.3	-123.5	0	0	0	0	119.6
598	S	25	Very low	27.6	Very low	87 Å²	87	142.2 Å²	142.2	61%	0.608	75%	0.746	S	S	*	*			cis	-153.4	161.6	1.4	84.5	0	0	0	0	116
599	R	25.5	Very low	27	Very low	216 Å²	216	146 Å²	146	82%	0.815	76%	0.764	S	S	*	*			trans	79.3	129.6	146.3	-79	176.5	170.6	173	0.4	125.2
600	R	25.3	Very low	26.7	Very low	212 Å²	212	148 Å²	148	80%	0.8	78%	0.782	S	S	*	*			trans	88.1	99	136.3	-80.9	176.9	171.6	-179.8	-1.2	122.5
601	K	25.8	Very low	26.6	Very low	197 Å²	197	150.1 Å²	150.1	86%	0.857	78%	0.784	S	S	*	*				160.9	143.2	96.4	-98	175.5	178.5	179.5	0	115.8
602	N	24.3	Very low	26.9	Very low	153 Å²	153	149.1 Å²	149.1	82%	0.818	79%	0.79	S	S	*	*			trans	-48.3	148.5	179	-56.1	-2.2	0	0	0	118.1
603	K	26.4	Very low	26.9	Very low	208 Å²	208	153.6 Å²	153.6	90%	0.904	79%	0.79	S	S	*	*				-165.8	154.9	102.8	-104.8	176.3	-179.9	-178.3	0	113.7
604	Q	25	Very low	27.1	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	79%	0.785	S	S	*	*			trans	-84.5	167.8	-176.9	-55.7	150.8	-63.2	0	0	112.5
605	K	25	Very low	27.1	Very low	187 Å²	187	154.5 Å²	154.5	81%	0.813	79%	0.792	S	S	*	*				153.2	112.4	104	-174	166.4	-175.6	-175.4	0	115.1
606	V	24.3	Very low	26.9	Very low	119 Å²	119	152.8 Å²	152.8	72%	0.721	79%	0.792	S	S	*	*			trans	58.8	151.8	139.6	169.9	0	0	0	0	120
607	Q	26.1	Very low	26.4	Very low	164 Å²	164	156.9 Å²	156.9	77%	0.766	80%	0.798	S	S	*	*			cis	178.6	178.8	-26.8	-161.5	172.3	15	0	0	108.2
608	S	24.7	Very low	26.6	Very low	95 Å²	95	158.1 Å²	158.1	66%	0.664	79%	0.793	S	S	*	*			trans	80.2	128.8	167.4	80	0	0	0	0	115.8
609	N	25.1	Very low	26.6	Very low	150 Å²	150	160.7 Å²	160.7	80%	0.802	80%	0.8	S	S	*	*			cis	109.7	142.8	48	-70.3	-9	0	0	0	108
610	T	24.4	Very low	26.6	Very low	136 Å²	136	160.4 Å²	160.4	83%	0.834	81%	0.805	S	S	*	*			cis	-155.3	-179.3	11.1	-14.5	0	0	0	0	112.3
611	L	28.1	Very low	26.5	Very low	162 Å²	162	154.6 Å²	154.6	85%	0.848	80%	0.802	S	S	*	*			trans	-76.3	-175	175.4	-65.7	166	0	0	0	113
612	P	36.1	Very low	27	Very low	127 Å²	127	151.1 Å²	151.1	83%	0.825	80%	0.8	S	S	*	*			cis	-143.1	-164.1	11	44.1	-22	0	0	0	118.5
613	R	26	Very low	27	Very low	201 Å²	201	151.5 Å²	151.5	76%	0.758	80%	0.801	S	S	*	*			trans	-101.8	154.3	-173.1	-173	-153.9	-177.1	168.4	4.4	113.2
614	P	37.1	Very low	27.4	Very low	117 Å²	117	147.1 Å²	147.1	76%	0.76	79%	0.794	S	S	*	*				-145.2	132.6	114.2	33.5	-16.8	0	0	0	113.8
615	K	25.4	Very low	27.5	Very low	174 Å²	174	144.7 Å²	144.7	76%	0.757	79%	0.792	S	S	*	*				63.8	119.3	86.4	-75.3	-171	178.3	177.9	0	116.9
616	G	24.8	Very low	27.5	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	80%	0.796	S	S	*	*			trans	-157	159.7	163.7	0	0	0	0	0	111
617	K	26.9	Very low	27.6	Very low	206 Å²	206	141.6 Å²	141.6	90%	0.896	80%	0.799	S	S	*	*			trans	-148.4	167.1	-176.9	-76.4	-171.3	174.7	-172.7	0	111.6
618	I	28.4	Very low	27.6	Very low	147 Å²	147	140.8 Å²	140.8	75%	0.754	81%	0.806	S	S	*	*			trans	125.5	96.6	145.6	-62.8	167.7	0	0	0	115.7
619	N	23.5	Very low	27.8	Very low	142 Å²	142	145.5 Å²	145.5	76%	0.759	82%	0.817	S	S	*	*				49.7	140.9	124.5	-50.6	-6.8	0	0	0	125.1
620	K	25.9	Very low	27.8	Very low	209 Å²	209	142.2 Å²	142.2	91%	0.909	82%	0.819	S	S	*	*			trans	90.7	128.2	141.1	-86.7	-177.3	176.7	-172.6	0	121.4
621	A	22.9	Very low	27.9	Very low	90 Å²	90	141.9 Å²	141.9	74%	0.744	82%	0.822	S	S	*	*			trans	-93.4	-174.6	158.7	0	0	0	0	0	109.2
622	P	36.4	Very low	28.5	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	82%	0.823	S	S	*	*			cis	-140.2	-172.6	20.8	43.3	-22.5	0	0	0	118
623	L	25.5	Very low	28.1	Very low	161 Å²	161	145.9 Å²	145.9	84%	0.843	83%	0.828	S	S	*	*			trans	-55.3	160.3	173.5	-75.9	150.9	0	0	0	114.9
624	P	34.5	Very low	28.3	Very low	117 Å²	117	139.5 Å²	139.5	76%	0.76	82%	0.824	S	S	*	*				-144.4	144.4	90.6	37.9	-21.4	0	0	0	118.2
625	T	25.7	Very low	28.4	Very low	133 Å²	133	137.8 Å²	137.8	82%	0.816	83%	0.828	S	S	*	*			trans	9.4	136.9	148.5	58.5	0	0	0	0	123.4
626	S	25.6	Very low	29.1	Very low	128 Å²	128	136 Å²	136	90%	0.895	83%	0.832	S	S	*	*			trans	-152.2	151.9	136.1	62.9	0	0	0	0	111.6
627	S	26.6	Very low	30.3	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	83%	0.825	S	S	*	*			trans	-118	147.6	-174.9	53.1	0	0	0	0	113.2
628	T	25.8	Very low	32.4	Very low	147 Å²	147	132.3 Å²	132.3	90%	0.902	81%	0.808	S	S	*	*			trans	-155.7	149.1	159.4	-65.5	0	0	0	0	109.2
629	E	29	Very low	34.4	Very low	193 Å²	193	132.6 Å²	132.6	90%	0.902	81%	0.806	S	S	*	*			trans	-92.2	150.4	-171.5	-61.1	174.3	105.1	0	0	114.3
630	G	26.1	Very low	36	Very low	82 Å²	82	131.5 Å²	131.5	85%	0.845	80%	0.798	S	S	*	*				80.3	98.6	128.3	0	0	0	0	0	120.1
631	S	26.3	Very low	38.2	Very low	128 Å²	128	122.5 Å²	122.5	90%	0.895	76%	0.764	S	S	*	*			trans	-151.8	162	132.9	-164.6	0	0	0	0	111.1
632	K	39.2	Very low	40.5	Very low	200 Å²	200	122.3 Å²	122.3	87%	0.87	75%	0.748	S	S	*	*			trans	-94.8	131.9	172.8	-65.4	174.7	179.3	175.1	0	109.7
633	D	28.4	Very low	42	Very low	174 Å²	174	121.5 Å²	121.5	93%	0.93	74%	0.735	S	S	*	*			trans	-149.5	168.9	138.1	-148.9	-12.6	0	0	0	110
634	G	29.6	Very low	44.2	Very low	66 Å²	66	118.6 Å²	118.6	68%	0.68	72%	0.716	S	S	*	*			trans	-98.4	151.4	-170	0	0	0	0	0	115.6
635	G	40.7	Very low	45.8	Very low	82 Å²	82	117.1 Å²	117.1	85%	0.845	70%	0.702	S	S	*	*			trans	78.1	51.9	131.6	0	0	0	0	0	118.9
636	T	39.6	Very low	47.9	Very low	137 Å²	137	115.8 Å²	115.8	84%	0.84	69%	0.69	S	S	*	*			trans	-118.4	131	137.4	53.1	0	0	0	0	109.1	D638	T636-D638 PolarHBondContact O-N 3.04Å
637	V	49.9	Very low	49.9	Very low	105 Å²	105	111.7 Å²	111.7	64%	0.636	66%	0.657	S	S	*	*			trans	-75.2	121.8	161.6	-176.5	0	0	0	0	105.2	E639 M642	V637-E639 PolarHBondContact O-N 2.94Å; V637-M642 HydrophobicContact CB-CE 4.27Å; V637-M642 HydrophobicContact CG1-CE 3.75Å; V637-M642 HydrophobicContact CG1-CG 3.91Å; V637-M642 HydrophobicContact CG1-SD 3.6Å
638	D	71.6	Confident	51.7	Low	99 Å²	99	111.1 Å²	111.1	53%	0.529	64%	0.641	S	S	.	*			trans	-62.2	102.6	-179.6	176.2	11.3	0	0	0	110	T636 M640 G641 M642	T636-D638 PolarHBondContact O-N 3.04Å; D638-M640 PolarHBondContact O-N 3.42Å; D638-M640 WeakPolarHBondContact OD1-CA 3.31Å; D638-M640 WeakPolarHBondContact OD1-CB 3.27Å; D638-M640 PolarHBondContact OD1-N 2.83Å; D638-G641 CarbonylContact O-C 3.57Å; D638-G641 WeakPolarHBondContact O-CA 3.43Å; D638-G641 PolarHBondContact O-N 3.03Å; D638-G641 VanDerWaalsContact O-N 3.12Å; D638-G641 PolarHBondContact OD1-N 3.08Å; D638-G641 WeakPolarHBondContact OD2-CA 3.45Å; D638-G641 PolarHBondContact OD2-N 2.91Å; D638-G641 VanDerWaalsContact OD2-N 3.1Å; D638-M642 PolarHBondContact O-N 2.96Å
639	E	69.4	Low	53.4	Low	154 Å²	154	110.6 Å²	110.6	72%	0.72	63%	0.628	S	S	*	*	H	α-helix	trans	-64.8	-29.2	179.3	-61.3	-170.5	150	0	0	111.6	V637 M642 M643	V637-E639 PolarHBondContact O-N 2.94Å; E639-M642 HydrophobicContact CB-CE 4.38Å; E639-M642 HydrophobicContact CG-CE 4Å; E639-M643 WeakPolarHBondContact O-CB 3.44Å; E639-M643 PolarHBondContact O-N 2.87Å
640	M	56.7	Low	54.9	Low	119 Å²	119	103.9 Å²	103.9	59%	0.586	61%	0.611	S	S	*	*	H	α-helix	trans	-73.7	-35.9	173.2	-175.7	157.8	-76.1	0	0	111	D638 M643 F644	D638-M640 PolarHBondContact O-N 3.42Å; D638-M640 WeakPolarHBondContact OD1-CA 3.31Å; D638-M640 WeakPolarHBondContact OD1-CB 3.27Å; D638-M640 PolarHBondContact OD1-N 2.83Å; M640-M643 PolarHBondContact O-N 3Å; M640-F644 VanDerWaalsContact O-CB 3.23Å; M640-F644 WeakPolarHBondContact O-CB 3.42Å; M640-F644 PolarHBondContact O-N 3.4Å
641	G	71.8	Confident	56.4	Low	19 Å²	19	100.4 Å²	100.4	20%	0.196	58%	0.575	C	S	.	*	H	α-helix	trans	-63.2	-43.3	169.2	0	0	0	0	0	113	D638 F644 N645	D638-G641 CarbonylContact O-C 3.57Å; D638-G641 WeakPolarHBondContact O-CA 3.43Å; D638-G641 PolarHBondContact O-N 3.03Å; D638-G641 VanDerWaalsContact O-N 3.12Å; D638-G641 PolarHBondContact OD1-N 3.08Å; D638-G641 WeakPolarHBondContact OD2-CA 3.45Å; D638-G641 PolarHBondContact OD2-N 2.91Å; D638-G641 VanDerWaalsContact OD2-N 3.1Å; G641-F644 PolarHBondContact O-N 3.43Å; G641-N645 WeakPolarHBondContact O-CB 3.46Å; G641-N645 VanDerWaalsContact O-CG 3.3Å; G641-N645 PolarHBondContact O-N 2.92Å; G641-N645 PolarHBondContact O-ND2 2.89Å; G641-N645 VanDerWaalsContact O-ND2 3.15Å
642	M	73.1	Confident	57.9	Low	86 Å²	86	96.4 Å²	96.4	42%	0.424	55%	0.545	S	S	.	.	H	α-helix	trans	-63.4	-44.8	171.6	-70.7	-165.6	-68.5	0	0	111.6	V637 D638 E639 F644 N645 N646	V637-M642 HydrophobicContact CB-CE 4.27Å; V637-M642 HydrophobicContact CG1-CE 3.75Å; V637-M642 HydrophobicContact CG1-CG 3.91Å; V637-M642 HydrophobicContact CG1-SD 3.6Å; D638-M642 PolarHBondContact O-N 2.96Å; E639-M642 HydrophobicContact CB-CE 4.38Å; E639-M642 HydrophobicContact CG-CE 4Å; M642-F644 PolarHBondContact O-N 2.86Å; M642-N645 PolarHBondContact O-N 3.47Å; M642-N646 WeakPolarHBondContact O-CB 3.42Å; M642-N646 VanDerWaalsContact O-CG 3.25Å; M642-N646 PolarHBondContact O-N 3.37Å; M642-N646 PolarHBondContact O-ND2 2.72Å; M642-N646 VanDerWaalsContact O-ND2 3.09Å
643	M	67.6	Low	59.1	Low	107 Å²	107	87.8 Å²	87.8	53%	0.527	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-42.1	177.2	-175.8	177.1	179	0	0	111.8	E639 M640 N646 L647	E639-M643 WeakPolarHBondContact O-CB 3.44Å; E639-M643 PolarHBondContact O-N 2.87Å; M640-M643 PolarHBondContact O-N 3Å; M643-N646 PolarHBondContact O-N 3.1Å; M643-L647 HydrophobicContact CE-CD1 4.15Å; M643-L647 HydrophobicContact CG-CD1 3.91Å; M643-L647 VanDerWaalsContact O-CB 3.3Å; M643-L647 WeakPolarHBondContact O-CB 3.29Å; M643-L647 WeakPolarHBondContact O-CD1 3.47Å; M643-L647 VanDerWaalsContact O-CG 3.29Å; M643-L647 WeakPolarHBondContact O-CG 3.36Å; M643-L647 PolarHBondContact O-N 2.93Å
644	F	70.6	Confident	60.2	Low	101 Å²	101	83.5 Å²	83.5	44%	0.443	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-43.2	174.9	177	-104.4	0	0	0	111.9	M640 G641 M642 L647 K648 L654	M640-F644 VanDerWaalsContact O-CB 3.23Å; M640-F644 WeakPolarHBondContact O-CB 3.42Å; M640-F644 PolarHBondContact O-N 3.4Å; G641-F644 PolarHBondContact O-N 3.43Å; M642-F644 PolarHBondContact O-N 2.86Å; F644-L647 PolarHBondContact O-N 3.28Å; F644-K648 VanDerWaalsContact O-CB 3.29Å; F644-K648 WeakPolarHBondContact O-CB 3.46Å; F644-K648 PolarHBondContact O-N 2.89Å; F644-L654 HydrophobicContact CB-CD1 4.14Å; F644-L654 HydrophobicContact CD2-CD1 4.04Å
645	N	69.2	Low	61.9	Low	86 Å²	86	87 Å²	87	46%	0.46	49%	0.488	S	S	.	.	H	α-helix	trans	-65.9	-44	175.3	-71.8	-32.4	0	0	0	112	G641 M642 L647 K648 E649	G641-N645 WeakPolarHBondContact O-CB 3.46Å; G641-N645 VanDerWaalsContact O-CG 3.3Å; G641-N645 PolarHBondContact O-N 2.92Å; G641-N645 PolarHBondContact O-ND2 2.89Å; G641-N645 VanDerWaalsContact O-ND2 3.15Å; M642-N645 PolarHBondContact O-N 3.47Å; N645-L647 PolarHBondContact O-N 3.41Å; N645-K648 WeakPolarHBondContact O-CB 3.49Å; N645-K648 PolarHBondContact O-N 3.5Å; N645-E649 WeakPolarHBondContact O-CG 3.47Å; N645-E649 PolarHBondContact O-N 3.17Å
646	N	69.6	Low	62	Low	104 Å²	104	85.7 Å²	85.7	56%	0.556	48%	0.475	S	S	*	.	H	α-helix	trans	-63.6	-39.5	176.3	-71.8	-37.3	0	0	0	112.5	M642 M643 E649 G650	M642-N646 WeakPolarHBondContact O-CB 3.42Å; M642-N646 VanDerWaalsContact O-CG 3.25Å; M642-N646 PolarHBondContact O-N 3.37Å; M642-N646 PolarHBondContact O-ND2 2.72Å; M642-N646 VanDerWaalsContact O-ND2 3.09Å; M643-N646 PolarHBondContact O-N 3.1Å; N646-E649 PolarHBondContact O-N 3.4Å; N646-G650 PolarHBondContact O-N 2.86Å
647	L	66.4	Low	62.4	Low	42 Å²	42	85.4 Å²	85.4	22%	0.22	46%	0.463	C	S	.	.	H	α-helix	trans	-63.6	-43.4	173.8	-80.3	163.8	0	0	0	111.2	M643 F644 N645 G650 G651 V652 L654	M643-L647 HydrophobicContact CE-CD1 4.15Å; M643-L647 HydrophobicContact CG-CD1 3.91Å; M643-L647 VanDerWaalsContact O-CB 3.3Å; M643-L647 WeakPolarHBondContact O-CB 3.29Å; M643-L647 WeakPolarHBondContact O-CD1 3.47Å; M643-L647 VanDerWaalsContact O-CG 3.29Å; M643-L647 WeakPolarHBondContact O-CG 3.36Å; M643-L647 PolarHBondContact O-N 2.93Å; F644-L647 PolarHBondContact O-N 3.28Å; N645-L647 PolarHBondContact O-N 3.41Å; L647-G650 CarbonylContact O-C 3.43Å; L647-G650 WeakPolarHBondContact O-CA 3.38Å; L647-G650 PolarHBondContact O-N 3.4Å; L647-G650 VanDerWaalsContact O-N 3.12Å; L647-G651 PolarHBondContact O-N 3.08Å; L647-G651 VanDerWaalsContact O-N 3.1Å; L647-V652 CarbonylContact C-O 3.53Å; L647-V652 VanDerWaalsContact C-O 3.23Å; L647-V652 WeakPolarHBondContact CB-O 3.45Å; L647-V652 HydrophobicContact CD2-CB 4.27Å; L647-V652 HydrophobicContact CD2-CG2 3.99Å; L647-V652 PolarHBondContact O-N 3.4Å; L647-V652 VanDerWaalsContact O-O 3.11Å; L647-L654 HydrophobicContact CD1-CD1 3.71Å; L647-L654 HydrophobicContact CD1-CG 4.34Å
648	K	64.9	Low	62.2	Low	102 Å²	102	88.8 Å²	88.8	44%	0.443	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.3	-173.5	-179.2	178.5	-175.3	0	112.4	F644 N645 G650 G651	F644-K648 VanDerWaalsContact O-CB 3.29Å; F644-K648 WeakPolarHBondContact O-CB 3.46Å; F644-K648 PolarHBondContact O-N 2.89Å; N645-K648 WeakPolarHBondContact O-CB 3.49Å; N645-K648 PolarHBondContact O-N 3.5Å; K648-G650 VanDerWaalsContact C-N 3.26Å; K648-G650 PolarHBondContact O-N 3.29Å; K648-G651 PolarHBondContact O-N 3.19Å; K648-G651 VanDerWaalsContact O-N 3.11Å
649	E	60.7	Low	61.2	Low	136 Å²	136	88 Å²	88	64%	0.636	47%	0.465	S	S	*	.	H	α-helix	trans	-62.6	-33.9	171.3	-73.7	-169.9	178.5	0	0	112.3	N645 N646 G651	N645-E649 WeakPolarHBondContact O-CG 3.47Å; N645-E649 PolarHBondContact O-N 3.17Å; N646-E649 PolarHBondContact O-N 3.4Å; E649-G651 VanDerWaalsContact C-N 3.29Å; E649-G651 PolarHBondContact O-N 3.11Å
650	G	61.6	Low	60	Low	53 Å²	53	86.5 Å²	86.5	55%	0.546	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	2.6	172.1	0	0	0	0	0	115.7	N646 L647 K648	N646-G650 PolarHBondContact O-N 2.86Å; L647-G650 CarbonylContact O-C 3.43Å; L647-G650 WeakPolarHBondContact O-CA 3.38Å; L647-G650 PolarHBondContact O-N 3.4Å; L647-G650 VanDerWaalsContact O-N 3.12Å; K648-G650 VanDerWaalsContact C-N 3.26Å; K648-G650 PolarHBondContact O-N 3.29Å
651	G	57.7	Low	59.6	Low	8 Å²	8	85.5 Å²	85.5	8%	0.082	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	12.3	179.6	0	0	0	0	0	115.8	L647 K648 E649 E658 Q659	L647-G651 PolarHBondContact O-N 3.08Å; L647-G651 VanDerWaalsContact O-N 3.1Å; K648-G651 PolarHBondContact O-N 3.19Å; K648-G651 VanDerWaalsContact O-N 3.11Å; E649-G651 VanDerWaalsContact C-N 3.29Å; E649-G651 PolarHBondContact O-N 3.11Å; G651-E658 WeakPolarHBondContact O-CA 3.31Å; G651-Q659 PolarHBondContact O-N 2.95Å
652	V	58	Low	58.7	Low	45 Å²	45	88.7 Å²	88.7	27%	0.273	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-116	141.7	-175.3	-114.3	0	0	0	0	112.9	L647	L647-V652 CarbonylContact C-O 3.53Å; L647-V652 VanDerWaalsContact C-O 3.23Å; L647-V652 WeakPolarHBondContact CB-O 3.45Å; L647-V652 HydrophobicContact CD2-CB 4.27Å; L647-V652 HydrophobicContact CD2-CG2 3.99Å; L647-V652 PolarHBondContact O-N 3.4Å; L647-V652 VanDerWaalsContact O-O 3.11Å
653	S	63.4	Low	57.2	Low	19 Å²	19	91.1 Å²	91.1	13%	0.133	49%	0.488	C	S	.	.			trans	-72.7	160.5	167.6	-55.1	0	0	0	0	111.2	I655 G656 H657 Q659	S653-I655 PolarHBondContact O-N 2.84Å; S653-G656 PolarHBondContact O-N 3.41Å; S653-H657 WeakPolarHBondContact CB-O 3.41Å; S653-H657 PolarHBondContact N-O 2.96Å; S653-H657 PolarHBondContact OG-O 3.02Å; S653-Q659 WeakPolarHBondContact OG-CG 3.35Å; S653-Q659 PolarHBondContact OG-NE2 2.97Å
654	L	51.2	Low	56.2	Low	84 Å²	84	89.8 Å²	89.8	44%	0.44	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.7	172.8	-144.1	93.1	0	0	0	114.3	F644 L647	F644-L654 HydrophobicContact CB-CD1 4.14Å; F644-L654 HydrophobicContact CD2-CD1 4.04Å; L647-L654 HydrophobicContact CD1-CD1 3.71Å; L647-L654 HydrophobicContact CD1-CG 4.34Å
655	I	66.4	Low	55.3	Low	139 Å²	139	86.9 Å²	86.9	71%	0.713	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	0.9	178.5	-56	92.1	0	0	0	111.7	S653 H657	S653-I655 PolarHBondContact O-N 2.84Å; I655-H657 VanDerWaalsContact C-N 3.34Å
656	G	42.8	Very low	54.3	Low	55 Å²	55	85.8 Å²	85.8	57%	0.567	46%	0.462	S	S	*	.	S	Bend	trans	80.6	7.8	-179.2	0	0	0	0	0	115.2	S653	S653-G656 PolarHBondContact O-N 3.41Å
657	H	47.8	Very low	53.2	Low	130 Å²	130	87.8 Å²	87.8	60%	0.602	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-78.6	127.2	167.7	-68.2	-58.9	0	0	0	110.6	S653 I655 Q659	S653-H657 WeakPolarHBondContact CB-O 3.41Å; S653-H657 PolarHBondContact N-O 2.96Å; S653-H657 PolarHBondContact OG-O 3.02Å; I655-H657 VanDerWaalsContact C-N 3.34Å; H657-Q659 PolarHBondContact O-N 3.23Å
658	E	45.2	Very low	52.2	Low	177 Å²	177	91.7 Å²	91.7	83%	0.827	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	-52	135.1	167.2	-63.7	173.4	151.2	0	0	110	G651	G651-E658 WeakPolarHBondContact O-CA 3.31Å
659	Q	52.2	Low	51	Low	81 Å²	81	90.8 Å²	90.8	38%	0.379	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-98.7	143.9	171.5	-64.6	-158.5	-9.2	0	0	109.9	G651 S653 H657 F661	G651-Q659 PolarHBondContact O-N 2.95Å; S653-Q659 WeakPolarHBondContact OG-CG 3.35Å; S653-Q659 PolarHBondContact OG-NE2 2.97Å; H657-Q659 PolarHBondContact O-N 3.23Å; Q659-F661 PolarHBondContact O-N 2.74Å; Q659-F661 VanDerWaalsContact O-N 3.08Å
660	P	43	Very low	50.1	Low	124 Å²	124	87.5 Å²	87.5	81%	0.805	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-60.4	116.3	167.2	26.5	-32.8	0	0	0	108.6	T662	P660-T662 PolarHBondContact O-N 3.1Å
661	F	47.8	Very low	49.3	Very low	98 Å²	98	90.1 Å²	90.1	43%	0.43	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-59.8	128.6	-179.3	-68.2	-88.9	0	0	0	110.2	Q659 H665 F666	Q659-F661 PolarHBondContact O-N 2.74Å; Q659-F661 VanDerWaalsContact O-N 3.08Å; F661-H665 HydrophobicContact CD1-CB 4.36Å; F661-F666 HydrophobicContact CB-CD2 3.92Å; F661-F666 HydrophobicContact CB-CE2 3.57Å; F661-F666 HydrophobicContact CB-CZ 3.98Å; F661-F666 HydrophobicContact CD2-CZ 4.29Å; F661-F666 HydrophobicContact CG-CE2 4.48Å; F661-F666 HydrophobicContact CG-CZ 4.42Å
662	T	54.3	Low	48.7	Very low	85 Å²	85	101.1 Å²	101.1	52%	0.521	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-70.2	150.6	173	49.4	0	0	0	0	110.8	P660 D664 H665 F666	P660-T662 PolarHBondContact O-N 3.1Å; T662-D664 PolarHBondContact O-N 3.17Å; T662-H665 WeakPolarHBondContact O-CA 3.27Å; T662-H665 WeakPolarHBondContact O-CB 3.36Å; T662-H665 PolarHBondContact O-N 3Å; T662-F666 PolarHBondContact O-N 3.01Å
663	Q	41	Very low	48	Very low	137 Å²	137	103.5 Å²	103.5	64%	0.64	51%	0.511	S	S	*	.	H	α-helix	trans	-47.9	-36.8	-176.8	-161.7	179.2	21.2	0	0	113.8	T42 F666 R667	T42-Q663 HydrophobicContact CG2-CG 4.33Å; Q663-F666 PolarHBondContact O-N 3.23Å; Q663-R667 WeakPolarHBondContact O-CB 3.31Å; Q663-R667 PolarHBondContact O-N 2.67Å
664	D	45.7	Very low	47	Very low	79 Å²	79	106.5 Å²	106.5	42%	0.422	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-32.5	176.3	176.3	55	0	0	0	113.7	T662 R667 K668	T662-D664 PolarHBondContact O-N 3.17Å; D664-R667 PolarHBondContact O-N 3.01Å; D664-K668 VanDerWaalsContact CG-NZ 3.33Å; D664-K668 WeakPolarHBondContact O-CB 3.47Å; D664-K668 WeakPolarHBondContact O-CD 3.27Å; D664-K668 VanDerWaalsContact O-CG 3.3Å; D664-K668 WeakPolarHBondContact O-CG 3.45Å; D664-K668 PolarHBondContact O-N 3Å; D664-K668 WeakPolarHBondContact OD1-CE 3.42Å; D664-K668 IonicContact OD1-NZ 3.61Å; D664-K668 PolarHBondContact OD1-NZ 2.93Å; D664-K668 WeakPolarHBondContact OD2-CE 3.4Å; D664-K668 IonicContact OD2-NZ 3.53Å; D664-K668 PolarHBondContact OD2-NZ 2.9Å
665	H	51.8	Low	47.2	Very low	40 Å²	40	110.8 Å²	110.8	19%	0.185	54%	0.54	C	S	.	.	H	α-helix	trans	-72	-38.2	173.8	-90.7	-91.3	0	0	0	112.6	F661 T662 S669	F661-H665 HydrophobicContact CD1-CB 4.36Å; T662-H665 WeakPolarHBondContact O-CA 3.27Å; T662-H665 WeakPolarHBondContact O-CB 3.36Å; T662-H665 PolarHBondContact O-N 3Å; H665-S669 WeakPolarHBondContact O-CB 3.28Å; H665-S669 PolarHBondContact O-N 3.35Å; H665-S669 PolarHBondContact O-OG 3.16Å
666	F	48.5	Very low	46.2	Very low	64 Å²	64	107.5 Å²	107.5	28%	0.281	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-51.2	168.2	-80.9	-65.7	0	0	0	110.4	F661 T662 Q663 K668 S669 F670	F661-F666 HydrophobicContact CB-CD2 3.92Å; F661-F666 HydrophobicContact CB-CE2 3.57Å; F661-F666 HydrophobicContact CB-CZ 3.98Å; F661-F666 HydrophobicContact CD2-CZ 4.29Å; F661-F666 HydrophobicContact CG-CE2 4.48Å; F661-F666 HydrophobicContact CG-CZ 4.42Å; T662-F666 PolarHBondContact O-N 3.01Å; Q663-F666 PolarHBondContact O-N 3.23Å; F666-K668 VanDerWaalsContact C-N 3.29Å; F666-K668 PolarHBondContact O-N 3.04Å; F666-S669 WeakPolarHBondContact O-CA 3.29Å; F666-S669 WeakPolarHBondContact O-CB 3.29Å; F666-S669 PolarHBondContact O-N 2.68Å; F666-F670 HydrophobicContact CB-CD2 4.48Å; F666-F670 HydrophobicContact CD1-CE2 4.24Å; F666-F670 VanDerWaalsContact O-CD2 3.31Å; F666-F670 WeakPolarHBondContact O-CD2 3.48Å; F666-F670 PolarHBondContact O-N 3.05Å
667	R	46.9	Very low	46.3	Very low	146 Å²	146	109.1 Å²	109.1	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-55.1	-42.6	179.4	-161.7	172.2	-169.7	-179.2	4.4	112.2	E65 Q663 D664 I671	E65-R667 IonicContact OE1-CZ 2.67Å; E65-R667 IonicContact OE1-NE 2.82Å; E65-R667 IonicContact OE1-NH2 3.73Å; E65-R667 PolarHBondContact OE1-NH2 2.89Å; Q663-R667 WeakPolarHBondContact O-CB 3.31Å; Q663-R667 PolarHBondContact O-N 2.67Å; D664-R667 PolarHBondContact O-N 3.01Å; R667-I671 HydrophobicContact CG-CD1 3.78Å; R667-I671 WeakPolarHBondContact O-CB 3.24Å; R667-I671 WeakPolarHBondContact O-CD1 3.28Å; R667-I671 WeakPolarHBondContact O-CG1 3.41Å; R667-I671 PolarHBondContact O-N 2.97Å
668	K	44.6	Very low	46.4	Very low	124 Å²	124	106.3 Å²	106.3	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-31.9	175	-74.6	165.3	179.3	166.4	0	114	D664 F666	D664-K668 VanDerWaalsContact CG-NZ 3.33Å; D664-K668 WeakPolarHBondContact O-CB 3.47Å; D664-K668 WeakPolarHBondContact O-CD 3.27Å; D664-K668 VanDerWaalsContact O-CG 3.3Å; D664-K668 WeakPolarHBondContact O-CG 3.45Å; D664-K668 PolarHBondContact O-N 3Å; D664-K668 WeakPolarHBondContact OD1-CE 3.42Å; D664-K668 IonicContact OD1-NZ 3.61Å; D664-K668 PolarHBondContact OD1-NZ 2.93Å; D664-K668 WeakPolarHBondContact OD2-CE 3.4Å; D664-K668 IonicContact OD2-NZ 3.53Å; D664-K668 PolarHBondContact OD2-NZ 2.9Å; F666-K668 VanDerWaalsContact C-N 3.29Å; F666-K668 PolarHBondContact O-N 3.04Å
669	S	40.2	Very low	46.7	Very low	82 Å²	82	101.3 Å²	101.3	57%	0.573	49%	0.494	S	S	*	.	H	α-helix	trans	-73.5	-40.6	178	-58.5	0	0	0	0	112.1	H665 F666	H665-S669 WeakPolarHBondContact O-CB 3.28Å; H665-S669 PolarHBondContact O-N 3.35Å; H665-S669 PolarHBondContact O-OG 3.16Å; F666-S669 WeakPolarHBondContact O-CA 3.29Å; F666-S669 WeakPolarHBondContact O-CB 3.29Å; F666-S669 PolarHBondContact O-N 2.68Å
670	F	41	Very low	46.8	Very low	67 Å²	67	99.2 Å²	99.2	29%	0.294	49%	0.486	S	S	.	.	H	α-helix	trans	-68.4	-32.1	172.4	-77.5	-76.3	0	0	0	112.3	I54 F666 R672	I54-F670 HydrophobicContact CG2-CE1 4.06Å; F666-F670 HydrophobicContact CB-CD2 4.48Å; F666-F670 HydrophobicContact CD1-CE2 4.24Å; F666-F670 VanDerWaalsContact O-CD2 3.31Å; F666-F670 WeakPolarHBondContact O-CD2 3.48Å; F666-F670 PolarHBondContact O-N 3.05Å; F670-R672 PolarHBondContact O-N 3Å
671	I	44.7	Very low	47.6	Very low	109 Å²	109	98.9 Å²	98.9	56%	0.559	47%	0.474	S	S	*	.			trans	-82.9	44.6	178.3	-57.7	166.2	0	0	0	112	R667	R667-I671 HydrophobicContact CG-CD1 3.78Å; R667-I671 WeakPolarHBondContact O-CB 3.24Å; R667-I671 WeakPolarHBondContact O-CD1 3.28Å; R667-I671 WeakPolarHBondContact O-CG1 3.41Å; R667-I671 PolarHBondContact O-N 2.97Å
672	R	45.8	Very low	48.2	Very low	239 Å²	239	101 Å²	101	90%	0.902	48%	0.483	S	S	*	.			trans	-104.7	27.3	154.3	-89	-166.4	173.6	-166.3	2.1	113.1	F670 N674	F670-R672 PolarHBondContact O-N 3Å; R672-N674 PolarHBondContact O-N 2.82Å
673	R	43.7	Very low	48.5	Very low	95 Å²	95	100.3 Å²	100.3	36%	0.358	48%	0.478	S	S	.	.			trans	-53.8	131.3	164.4	-71.9	176.6	177.9	163.2	-6.6	110.5	E58 N680	E58-R673 IonicContact OE2-CZ 3.79Å; E58-R673 VanDerWaalsContact OE2-CZ 3.31Å; E58-R673 IonicContact OE2-NE 3.11Å; E58-R673 PolarHBondContact OE2-NE 3.07Å; E58-R673 IonicContact OE2-NH2 2.84Å; E58-R673 PolarHBondContact OE2-NH2 3Å; R673-N680 WeakPolarHBondContact CA-OD1 3.39Å
674	N	42.5	Very low	49.5	Very low	81 Å²	81	95.9 Å²	95.9	43%	0.433	46%	0.457	S	S	.	.			trans	-61.4	153.4	170	-166.1	-53.6	0	0	0	109.9	R672 N676 I679 N680	R672-N674 PolarHBondContact O-N 2.82Å; N674-N676 PolarHBondContact O-N 3.1Å; N674-N676 PolarHBondContact OD1-N 3.44Å; N674-I679 HydrophobicContact CB-CB 4.19Å; N674-I679 HydrophobicContact CB-CG2 3.99Å; N674-N680 WeakPolarHBondContact CA-OD1 3.36Å; N674-N680 WeakPolarHBondContact CB-OD1 3.08Å; N674-N680 PolarHBondContact N-OD1 2.76Å; N674-N680 PolarHBondContact O-ND2 3.38Å; N674-N680 PolarHBondContact O-OD1 3.24Å
675	K	54.8	Low	50.4	Low	175 Å²	175	95 Å²	95	76%	0.761	46%	0.455	S	S	*	.	S	Bend	trans	-72.1	-10.6	176.9	-66.9	-179.8	-179.9	175	0	113.4
676	N	44.8	Very low	51	Low	70 Å²	70	97.2 Å²	97.2	37%	0.374	47%	0.467	S	S	.	.	S	Bend	trans	-97.5	118.9	170.6	-177.8	-16.4	0	0	0	110.1	N674 V678 I679 N680	N674-N676 PolarHBondContact O-N 3.1Å; N674-N676 PolarHBondContact OD1-N 3.44Å; N676-V678 VanDerWaalsContact C-N 3.34Å; N676-V678 PolarHBondContact O-N 3.43Å; N676-V678 PolarHBondContact OD1-N 3.43Å; N676-I679 HydrophobicContact CB-CB 4.29Å; N676-I679 HydrophobicContact CB-CD1 3.93Å; N676-I679 HydrophobicContact CB-CG1 3.99Å; N676-I679 PolarHBondContact O-N 3.35Å; N676-N680 PolarHBondContact O-N 3.37Å; N676-N680 PolarHBondContact O-ND2 3.36Å
677	P	45.3	Very low	51.8	Low	89 Å²	89	97.4 Å²	97.4	58%	0.578	47%	0.466	S	S	*	.	H	α-helix	trans	-61.9	-37.9	-179.1	25.5	-33.8	0	0	0	112.8	I679 N680 E681	P677-I679 PolarHBondContact O-N 3.24Å; P677-N680 WeakPolarHBondContact O-CA 3.04Å; P677-N680 WeakPolarHBondContact O-CB 3.38Å; P677-N680 PolarHBondContact O-N 3.05Å; P677-E681 WeakPolarHBondContact O-CB 3.1Å; P677-E681 PolarHBondContact O-N 3.45Å
678	V	50	Low	52.4	Low	70 Å²	70	91.2 Å²	91.2	42%	0.424	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-26.8	-180	-173.4	0	0	0	0	111.8	N676 K682	N676-V678 VanDerWaalsContact C-N 3.34Å; N676-V678 PolarHBondContact O-N 3.43Å; N676-V678 PolarHBondContact OD1-N 3.43Å; V678-K682 WeakPolarHBondContact O-CB 3.36Å; V678-K682 WeakPolarHBondContact O-CG 3.34Å; V678-K682 PolarHBondContact O-N 3.26Å
679	I	51.5	Low	53.8	Low	72 Å²	72	90.6 Å²	90.6	37%	0.369	45%	0.448	S	S	.	.	H	α-helix	trans	-76.3	-36.1	173	-61.7	179.7	0	0	0	110.7	N674 N676 P677 V683	N674-I679 HydrophobicContact CB-CB 4.19Å; N674-I679 HydrophobicContact CB-CG2 3.99Å; N676-I679 HydrophobicContact CB-CB 4.29Å; N676-I679 HydrophobicContact CB-CD1 3.93Å; N676-I679 HydrophobicContact CB-CG1 3.99Å; N676-I679 PolarHBondContact O-N 3.35Å; P677-I679 PolarHBondContact O-N 3.24Å; I679-V683 HydrophobicContact CG2-CG2 4.38Å; I679-V683 WeakPolarHBondContact O-CB 3.34Å; I679-V683 VanDerWaalsContact O-CG2 3.24Å; I679-V683 WeakPolarHBondContact O-CG2 3.46Å; I679-V683 PolarHBondContact O-N 2.75Å
680	N	54.6	Low	55.1	Low	38 Å²	38	92.2 Å²	92.2	20%	0.203	45%	0.447	C	S	.	.	H	α-helix	trans	-64.6	-47.4	173.7	-61.1	-35.5	0	0	0	110.8	R673 N674 N676 P677 K682 V683 H684	R673-N680 WeakPolarHBondContact CA-OD1 3.39Å; N674-N680 WeakPolarHBondContact CA-OD1 3.36Å; N674-N680 WeakPolarHBondContact CB-OD1 3.08Å; N674-N680 PolarHBondContact N-OD1 2.76Å; N674-N680 PolarHBondContact O-ND2 3.38Å; N674-N680 PolarHBondContact O-OD1 3.24Å; N676-N680 PolarHBondContact O-N 3.37Å; N676-N680 PolarHBondContact O-ND2 3.36Å; P677-N680 WeakPolarHBondContact O-CA 3.04Å; P677-N680 WeakPolarHBondContact O-CB 3.38Å; P677-N680 PolarHBondContact O-N 3.05Å; N680-K682 PolarHBondContact O-N 3.3Å; N680-V683 CarbonylContact O-C 3.58Å; N680-V683 PolarHBondContact O-N 2.9Å; N680-H684 WeakPolarHBondContact O-CB 3.31Å; N680-H684 PolarHBondContact O-N 3.16Å
681	E	59.4	Low	56.2	Low	117 Å²	117	90.7 Å²	90.7	55%	0.547	45%	0.445	S	S	.	.	H	α-helix	trans	-55.2	-49.2	175	-174.1	-175.3	-177.8	0	0	111.6	P677 V683 H684 T685	P677-E681 WeakPolarHBondContact O-CB 3.1Å; P677-E681 PolarHBondContact O-N 3.45Å; E681-V683 PolarHBondContact O-N 3.3Å; E681-H684 WeakPolarHBondContact O-CB 3.31Å; E681-H684 PolarHBondContact O-N 2.99Å; E681-T685 WeakPolarHBondContact O-CG2 3.42Å; E681-T685 PolarHBondContact O-N 3.5Å; E681-T685 PolarHBondContact O-OG1 3.28Å
682	K	60.6	Low	57.8	Low	143 Å²	143	88 Å²	88	62%	0.622	43%	0.433	S	S	*	.	H	α-helix	trans	-67	-33.4	176.2	-73.7	-171.8	177.1	-161.8	0	114	V678 N680 H684 T685 L686	V678-K682 WeakPolarHBondContact O-CB 3.36Å; V678-K682 WeakPolarHBondContact O-CG 3.34Å; V678-K682 PolarHBondContact O-N 3.26Å; N680-K682 PolarHBondContact O-N 3.3Å; K682-H684 VanDerWaalsContact C-N 3.34Å; K682-T685 WeakPolarHBondContact CA-OG1 3.46Å; K682-T685 PolarHBondContact O-OG1 2.93Å; K682-L686 WeakPolarHBondContact O-CB 3.16Å; K682-L686 PolarHBondContact O-N 3.25Å
683	V	61.7	Low	59.3	Low	69 Å²	69	80.8 Å²	80.8	42%	0.418	41%	0.412	S	S	.	.	H	α-helix	trans	-74.8	-27.8	173.9	169.8	0	0	0	0	111.6	I679 N680 E681 R687	I679-V683 HydrophobicContact CG2-CG2 4.38Å; I679-V683 WeakPolarHBondContact O-CB 3.34Å; I679-V683 VanDerWaalsContact O-CG2 3.24Å; I679-V683 WeakPolarHBondContact O-CG2 3.46Å; I679-V683 PolarHBondContact O-N 2.75Å; N680-V683 CarbonylContact O-C 3.58Å; N680-V683 PolarHBondContact O-N 2.9Å; E681-V683 PolarHBondContact O-N 3.3Å; V683-R687 WeakPolarHBondContact O-CB 3.3Å; V683-R687 WeakPolarHBondContact O-CG 3.41Å; V683-R687 PolarHBondContact O-N 3.44Å; V683-R687 PolarHBondContact O-NE 2.81Å
684	H	61.9	Low	61	Low	44 Å²	44	83.5 Å²	83.5	20%	0.204	43%	0.427	C	S	.	.	H	α-helix	trans	-74.2	-49.1	175.6	169.9	-76.4	0	0	0	111.1	N680 E681 K682 R687 A688	N680-H684 WeakPolarHBondContact O-CB 3.31Å; N680-H684 PolarHBondContact O-N 3.16Å; E681-H684 WeakPolarHBondContact O-CB 3.31Å; E681-H684 PolarHBondContact O-N 2.99Å; K682-H684 VanDerWaalsContact C-N 3.34Å; H684-R687 PolarHBondContact O-N 3.28Å; H684-A688 WeakPolarHBondContact O-CB 3.34Å; H684-A688 PolarHBondContact O-N 2.73Å
685	T	64.2	Low	62.5	Low	62 Å²	62	81.9 Å²	81.9	38%	0.38	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-41.6	172.8	56.1	0	0	0	0	111.2	E681 K682 R687 A688 L689	E681-T685 WeakPolarHBondContact O-CG2 3.42Å; E681-T685 PolarHBondContact O-N 3.5Å; E681-T685 PolarHBondContact O-OG1 3.28Å; K682-T685 WeakPolarHBondContact CA-OG1 3.46Å; K682-T685 PolarHBondContact O-OG1 2.93Å; T685-R687 VanDerWaalsContact C-N 3.35Å; T685-R687 PolarHBondContact O-N 3.48Å; T685-A688 PolarHBondContact O-N 2.84Å; T685-L689 WeakPolarHBondContact O-CB 3.32Å; T685-L689 VanDerWaalsContact O-CG 3.27Å; T685-L689 WeakPolarHBondContact O-CG 3.49Å; T685-L689 PolarHBondContact O-N 2.96Å
686	L	64.1	Low	63.8	Low	85 Å²	85	76.4 Å²	76.4	45%	0.445	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-41.4	173.5	-173.9	153.7	0	0	0	112.1	K682 Q690	K682-L686 WeakPolarHBondContact O-CB 3.16Å; K682-L686 PolarHBondContact O-N 3.25Å; L686-Q690 HydrophobicContact CD2-CG 4.21Å; L686-Q690 WeakPolarHBondContact O-CB 3.44Å; L686-Q690 VanDerWaalsContact O-CG 3.31Å; L686-Q690 WeakPolarHBondContact O-CG 3.43Å; L686-Q690 PolarHBondContact O-N 2.82Å
687	R	65.1	Low	65.6	Low	69 Å²	69	78 Å²	78	26%	0.26	41%	0.406	S	S	.	.	H	α-helix	trans	-68	-38	173.7	-83.5	-176.4	-74.7	119.8	-5.4	113.1	I54 E58 V683 H684 T685 S691	I54-R687 VanDerWaalsContact CG2-NH1 3.26Å; E58-R687 IonicContact OE1-CZ 3.04Å; E58-R687 VanDerWaalsContact OE1-CZ 3.23Å; E58-R687 IonicContact OE1-NH1 3.4Å; E58-R687 PolarHBondContact OE1-NH1 2.8Å; E58-R687 IonicContact OE1-NH2 2.67Å; E58-R687 PolarHBondContact OE1-NH2 2.78Å; V683-R687 WeakPolarHBondContact O-CB 3.3Å; V683-R687 WeakPolarHBondContact O-CG 3.41Å; V683-R687 PolarHBondContact O-N 3.44Å; V683-R687 PolarHBondContact O-NE 2.81Å; H684-R687 PolarHBondContact O-N 3.28Å; T685-R687 VanDerWaalsContact C-N 3.35Å; T685-R687 PolarHBondContact O-N 3.48Å; R687-S691 WeakPolarHBondContact O-CB 3.46Å; R687-S691 PolarHBondContact O-N 2.94Å
688	A	61	Low	67.2	Low	16 Å²	16	76.4 Å²	76.4	13%	0.132	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-41.5	175.8	0	0	0	0	0	111.9	H684 T685 S691 T692	H684-A688 WeakPolarHBondContact O-CB 3.34Å; H684-A688 PolarHBondContact O-N 2.73Å; T685-A688 PolarHBondContact O-N 2.84Å; A688-S691 PolarHBondContact O-N 2.9Å; A688-T692 WeakPolarHBondContact O-CB 3.36Å; A688-T692 PolarHBondContact O-N 3.11Å; A688-T692 PolarHBondContact O-OG1 2.92Å
689	L	73.5	Confident	68.9	Low	110 Å²	110	75.5 Å²	75.5	58%	0.576	39%	0.391	S	S	*	.	H	α-helix	trans	-66.7	-44.3	174.3	-70.9	170.8	0	0	0	111.5	T685 S691 T692 L693	T685-L689 WeakPolarHBondContact O-CB 3.32Å; T685-L689 VanDerWaalsContact O-CG 3.27Å; T685-L689 WeakPolarHBondContact O-CG 3.49Å; T685-L689 PolarHBondContact O-N 2.96Å; L689-S691 PolarHBondContact O-N 2.88Å; L689-T692 PolarHBondContact O-N 3.04Å; L689-L693 VanDerWaalsContact O-CB 3.24Å; L689-L693 WeakPolarHBondContact O-CB 3.47Å; L689-L693 PolarHBondContact O-N 2.96Å
690	Q	67.6	Low	70.4	Confident	117 Å²	117	77.5 Å²	77.5	55%	0.547	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-38.3	174.3	-77.5	-177.6	-14.9	0	0	112.8	L686 K694	L686-Q690 HydrophobicContact CD2-CG 4.21Å; L686-Q690 WeakPolarHBondContact O-CB 3.44Å; L686-Q690 VanDerWaalsContact O-CG 3.31Å; L686-Q690 WeakPolarHBondContact O-CG 3.43Å; L686-Q690 PolarHBondContact O-N 2.82Å; Q690-K694 VanDerWaalsContact O-CB 3.23Å; Q690-K694 WeakPolarHBondContact O-CB 3.47Å; Q690-K694 PolarHBondContact O-N 2.85Å
691	S	62.7	Low	71.9	Confident	35 Å²	35	81.4 Å²	81.4	25%	0.245	42%	0.422	C	S	.	.	H	α-helix	trans	-64.9	-43.4	174.2	173.3	0	0	0	0	111.5	R687 A688 L689 K694 A695	R687-S691 WeakPolarHBondContact O-CB 3.46Å; R687-S691 PolarHBondContact O-N 2.94Å; A688-S691 PolarHBondContact O-N 2.9Å; L689-S691 PolarHBondContact O-N 2.88Å; S691-K694 PolarHBondContact O-N 2.92Å; S691-A695 PolarHBondContact O-N 2.99Å
692	T	78.6	Confident	72.9	Confident	51 Å²	51	79.9 Å²	79.9	31%	0.313	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-42.6	178.4	-54.9	0	0	0	0	111.6	A688 L689 K694 A695 K696	A688-T692 WeakPolarHBondContact O-CB 3.36Å; A688-T692 PolarHBondContact O-N 3.11Å; A688-T692 PolarHBondContact O-OG1 2.92Å; L689-T692 PolarHBondContact O-N 3.04Å; T692-K694 PolarHBondContact O-N 2.96Å; T692-A695 WeakPolarHBondContact O-CB 3.45Å; T692-A695 PolarHBondContact O-N 3.17Å; T692-K696 PolarHBondContact O-N 2.82Å
693	L	77.6	Confident	74	Confident	88 Å²	88	75 Å²	75	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-58.4	-47.9	173.1	176.8	62.7	0	0	0	110.7	L689 A695 K696 E697	L689-L693 VanDerWaalsContact O-CB 3.24Å; L689-L693 WeakPolarHBondContact O-CB 3.47Å; L689-L693 PolarHBondContact O-N 2.96Å; L693-A695 VanDerWaalsContact C-N 3.28Å; L693-A695 PolarHBondContact O-N 3.3Å; L693-K696 CarbonylContact O-C 3.56Å; L693-K696 PolarHBondContact O-N 3.09Å; L693-E697 HydrophobicContact CD1-CG 4.33Å; L693-E697 HydrophobicContact CG-CG 4.43Å; L693-E697 WeakPolarHBondContact O-CB 3.22Å; L693-E697 WeakPolarHBondContact O-CG 3.36Å; L693-E697 PolarHBondContact O-N 3.25Å
694	K	80.3	Confident	75	Confident	153 Å²	153	74.1 Å²	74.1	67%	0.665	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-33	177.9	-172.5	-174.8	175.9	-165.4	0	112.7	Q690 S691 T692 A698	Q690-K694 VanDerWaalsContact O-CB 3.23Å; Q690-K694 WeakPolarHBondContact O-CB 3.47Å; Q690-K694 PolarHBondContact O-N 2.85Å; S691-K694 PolarHBondContact O-N 2.92Å; T692-K694 PolarHBondContact O-N 2.96Å; K694-A698 WeakPolarHBondContact O-CB 3.31Å; K694-A698 PolarHBondContact O-N 2.98Å
695	A	74.5	Confident	76.1	Confident	46 Å²	46	79.6 Å²	79.6	38%	0.38	42%	0.415	S	S	.	.	H	α-helix	trans	-67.2	-49.3	171.8	0	0	0	0	0	111.1	S691 T692 L693 E697 A698 E699	S691-A695 PolarHBondContact O-N 2.99Å; T692-A695 WeakPolarHBondContact O-CB 3.45Å; T692-A695 PolarHBondContact O-N 3.17Å; L693-A695 VanDerWaalsContact C-N 3.28Å; L693-A695 PolarHBondContact O-N 3.3Å; A695-E697 VanDerWaalsContact C-N 3.31Å; A695-E697 PolarHBondContact O-N 3.18Å; A695-A698 WeakPolarHBondContact O-CA 3.36Å; A695-A698 WeakPolarHBondContact O-CB 3.31Å; A695-A698 PolarHBondContact O-N 3.15Å; A695-E699 WeakPolarHBondContact O-CG 3.45Å; A695-E699 PolarHBondContact O-N 3.21Å
696	K	80.5	Confident	77	Confident	61 Å²	61	77.6 Å²	77.6	27%	0.265	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-33.1	175.5	-65.2	-43.6	-170.8	-169.9	0	113.2	T692 L693 E699 L700 E730	T692-K696 PolarHBondContact O-N 2.82Å; L693-K696 CarbonylContact O-C 3.56Å; L693-K696 PolarHBondContact O-N 3.09Å; K696-E699 VanDerWaalsContact CD-CD 3.43Å; K696-E699 WeakPolarHBondContact CD-OE1 3.32Å; K696-E699 WeakPolarHBondContact CD-OE2 3.41Å; K696-E699 WeakPolarHBondContact CE-OE2 3.42Å; K696-E699 IonicContact NZ-OE1 3.62Å; K696-E699 PolarHBondContact NZ-OE1 3.47Å; K696-E699 IonicContact NZ-OE2 2.74Å; K696-E699 PolarHBondContact NZ-OE2 3.23Å; K696-L700 VanDerWaalsContact O-CB 3.29Å; K696-L700 WeakPolarHBondContact O-CB 2.96Å; K696-L700 WeakPolarHBondContact O-CG 3.46Å; K696-L700 PolarHBondContact O-N 3.13Å; K696-E730 VanDerWaalsContact CE-OE1 3.25Å; K696-E730 WeakPolarHBondContact CE-OE1 3.33Å; K696-E730 IonicContact NZ-OE1 3.98Å; K696-E730 PolarHBondContact NZ-OE1 3.14Å; K696-E730 IonicContact NZ-OE2 2.66Å; K696-E730 PolarHBondContact NZ-OE2 3.06Å
697	E	82.7	Confident	77.8	Confident	104 Å²	104	79.9 Å²	79.9	49%	0.486	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-39.9	169.6	-75.7	-179.7	156	0	0	111.9	L693 A695 L701	L693-E697 HydrophobicContact CD1-CG 4.33Å; L693-E697 HydrophobicContact CG-CG 4.43Å; L693-E697 WeakPolarHBondContact O-CB 3.22Å; L693-E697 WeakPolarHBondContact O-CG 3.36Å; L693-E697 PolarHBondContact O-N 3.25Å; A695-E697 VanDerWaalsContact C-N 3.31Å; A695-E697 PolarHBondContact O-N 3.18Å; E697-L701 WeakPolarHBondContact O-CB 3.44Å; E697-L701 WeakPolarHBondContact O-CG 3.25Å; E697-L701 PolarHBondContact O-N 2.79Å
698	A	80.1	Confident	78.7	Confident	54 Å²	54	82 Å²	82	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-68.2	-42.5	176.4	0	0	0	0	0	112.2	K694 A695 L701 Q702	K694-A698 WeakPolarHBondContact O-CB 3.31Å; K694-A698 PolarHBondContact O-N 2.98Å; A695-A698 WeakPolarHBondContact O-CA 3.36Å; A695-A698 WeakPolarHBondContact O-CB 3.31Å; A695-A698 PolarHBondContact O-N 3.15Å; A698-L701 PolarHBondContact O-N 3.4Å; A698-Q702 WeakPolarHBondContact O-CB 3.47Å; A698-Q702 PolarHBondContact O-N 2.94Å
699	E	85.5	Confident	79.8	Confident	51 Å²	51	83.8 Å²	83.8	24%	0.238	44%	0.438	C	S	.	.	H	α-helix	trans	-59.4	-47.3	171.8	-68.6	168.6	-148.9	0	0	111.6	A695 K696 L701 Q702 I703 L727	A695-E699 WeakPolarHBondContact O-CG 3.45Å; A695-E699 PolarHBondContact O-N 3.21Å; K696-E699 VanDerWaalsContact CD-CD 3.43Å; K696-E699 WeakPolarHBondContact CD-OE1 3.32Å; K696-E699 WeakPolarHBondContact CD-OE2 3.41Å; K696-E699 WeakPolarHBondContact CE-OE2 3.42Å; K696-E699 IonicContact NZ-OE1 3.62Å; K696-E699 PolarHBondContact NZ-OE1 3.47Å; K696-E699 IonicContact NZ-OE2 2.74Å; K696-E699 PolarHBondContact NZ-OE2 3.23Å; E699-L701 VanDerWaalsContact C-N 3.32Å; E699-L701 PolarHBondContact O-N 2.89Å; E699-Q702 WeakPolarHBondContact O-CA 3.48Å; E699-Q702 VanDerWaalsContact O-CB 3.31Å; E699-Q702 WeakPolarHBondContact O-CB 3.34Å; E699-Q702 PolarHBondContact O-N 3.25Å; E699-Q702 VanDerWaalsContact O-N 3.08Å; E699-I703 WeakPolarHBondContact O-CG1 3.29Å; E699-I703 PolarHBondContact O-N 3.02Å; E699-L727 HydrophobicContact CB-CD1 3.84Å; E699-L727 HydrophobicContact CB-CD2 3.98Å; E699-L727 HydrophobicContact CG-CD1 3.98Å; E699-L727 HydrophobicContact CG-CD2 4.22Å; E699-L727 WeakPolarHBondContact OE2-CD1 3.29Å
700	L	82.9	Confident	79.9	Confident	114 Å²	114	84.4 Å²	84.4	60%	0.597	45%	0.451	S	S	*	.	H	α-helix	trans	-63.8	-34.7	176.3	-74.6	169.3	0	0	0	112.6	K696 I703 S704	K696-L700 VanDerWaalsContact O-CB 3.29Å; K696-L700 WeakPolarHBondContact O-CB 2.96Å; K696-L700 WeakPolarHBondContact O-CG 3.46Å; K696-L700 PolarHBondContact O-N 3.13Å; L700-I703 HydrophobicContact CD2-CD1 4.5Å; L700-I703 PolarHBondContact O-N 3.01Å; L700-S704 WeakPolarHBondContact O-CB 3.41Å; L700-S704 PolarHBondContact O-N 3.4Å
701	L	84.6	Confident	80.7	Confident	121 Å²	121	84.8 Å²	84.8	63%	0.634	46%	0.457	S	S	*	.	H	α-helix	trans	-68.7	-35	171.4	-75.6	167.6	0	0	0	112	E697 A698 E699 K705	E697-L701 WeakPolarHBondContact O-CB 3.44Å; E697-L701 WeakPolarHBondContact O-CG 3.25Å; E697-L701 PolarHBondContact O-N 2.79Å; A698-L701 PolarHBondContact O-N 3.4Å; E699-L701 VanDerWaalsContact C-N 3.32Å; E699-L701 PolarHBondContact O-N 2.89Å; L701-K705 WeakPolarHBondContact O-CB 3.2Å; L701-K705 PolarHBondContact O-N 3.3Å
702	Q	81	Confident	81.7	Confident	85 Å²	85	86.5 Å²	86.5	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-38.5	174.7	-167.4	120.6	-41.6	0	0	111.3	A698 E699 L706 W720 N724	A698-Q702 WeakPolarHBondContact O-CB 3.47Å; A698-Q702 PolarHBondContact O-N 2.94Å; E699-Q702 WeakPolarHBondContact O-CA 3.48Å; E699-Q702 VanDerWaalsContact O-CB 3.31Å; E699-Q702 WeakPolarHBondContact O-CB 3.34Å; E699-Q702 PolarHBondContact O-N 3.25Å; E699-Q702 VanDerWaalsContact O-N 3.08Å; Q702-L706 PolarHBondContact O-N 3.23Å; Q702-W720 HydrophobicContact CG-CZ2 4.42Å; Q702-N724 PolarHBondContact NE2-OD1 3.44Å
703	I	83.7	Confident	82.1	Confident	39 Å²	39	87.5 Å²	87.5	20%	0.2	47%	0.469	C	S	.	.	H	α-helix	trans	-70.8	-47.4	173	-62.8	160.5	0	0	0	111.1	E699 L700 K705 L706 L707 W720 L727 I731	E699-I703 WeakPolarHBondContact O-CG1 3.29Å; E699-I703 PolarHBondContact O-N 3.02Å; L700-I703 HydrophobicContact CD2-CD1 4.5Å; L700-I703 PolarHBondContact O-N 3.01Å; I703-K705 VanDerWaalsContact C-N 3.3Å; I703-K705 PolarHBondContact O-N 3.02Å; I703-L706 VanDerWaalsContact O-CB 3.31Å; I703-L706 WeakPolarHBondContact O-CB 3.48Å; I703-L706 PolarHBondContact O-N 3.18Å; I703-L707 HydrophobicContact CG2-CD1 3.89Å; I703-L707 HydrophobicContact CG2-CG 4.34Å; I703-L707 WeakPolarHBondContact O-CG 3.33Å; I703-L707 PolarHBondContact O-N 2.97Å; I703-W720 HydrophobicContact CG1-CH2 4.2Å; I703-W720 HydrophobicContact CG1-CZ2 4.08Å; I703-L727 HydrophobicContact CD1-CD1 4.22Å; I703-L727 HydrophobicContact CD1-CD2 4.2Å; I703-L727 HydrophobicContact CD1-CG 4.46Å; I703-L727 HydrophobicContact CG1-CD2 4.1Å; I703-I731 HydrophobicContact CD1-CD1 3.85Å; I703-I731 HydrophobicContact CG1-CD1 4.47Å
704	S	83.9	Confident	82.4	Confident	51 Å²	51	86.5 Å²	86.5	36%	0.357	47%	0.474	S	S	.	.	H	α-helix	trans	-55.9	-48	176.9	-167.9	0	0	0	0	110.4	L700 L706 L707 D708	L700-S704 WeakPolarHBondContact O-CB 3.41Å; L700-S704 PolarHBondContact O-N 3.4Å; S704-L706 PolarHBondContact O-N 3.22Å; S704-L706 VanDerWaalsContact O-N 3.15Å; S704-L707 CarbonylContact O-C 3.46Å; S704-L707 WeakPolarHBondContact O-CA 3.49Å; S704-L707 PolarHBondContact O-N 3.11Å; S704-D708 VanDerWaalsContact C-OD2 3.31Å; S704-D708 WeakPolarHBondContact O-CB 3.3Å; S704-D708 VanDerWaalsContact O-CG 3.24Å; S704-D708 PolarHBondContact O-N 2.96Å; S704-D708 PolarHBondContact OG-OD2 3.42Å
705	K	83.6	Confident	82.5	Confident	160 Å²	160	83.1 Å²	83.1	70%	0.696	47%	0.469	S	S	*	.	H	α-helix	trans	-59.2	-27.1	177.6	-177.2	-177.4	172.3	-166.3	0	113.8	L701 I703	L701-K705 WeakPolarHBondContact O-CB 3.2Å; L701-K705 PolarHBondContact O-N 3.3Å; I703-K705 VanDerWaalsContact C-N 3.3Å; I703-K705 PolarHBondContact O-N 3.02Å
706	L	84.3	Confident	82.9	Confident	20 Å²	20	84.7 Å²	84.7	11%	0.105	47%	0.467	C	S	.	.	H	α-helix	trans	-76.9	-41.3	172.7	-172.6	74.7	0	0	0	111.6	Q702 I703 S704 D709 L712 Y717 W720	Q702-L706 PolarHBondContact O-N 3.23Å; I703-L706 VanDerWaalsContact O-CB 3.31Å; I703-L706 WeakPolarHBondContact O-CB 3.48Å; I703-L706 PolarHBondContact O-N 3.18Å; S704-L706 PolarHBondContact O-N 3.22Å; S704-L706 VanDerWaalsContact O-N 3.15Å; L706-D709 PolarHBondContact O-N 3.43Å; L706-L712 HydrophobicContact CD1-CD1 3.63Å; L706-L712 HydrophobicContact CG-CD1 4.18Å; L706-L712 HydrophobicContact CG-CD2 4.4Å; L706-Y717 HydrophobicContact CD2-CD2 3.93Å; L706-Y717 HydrophobicContact CD2-CE2 4.01Å; L706-W720 HydrophobicContact CD1-CB 3.87Å; L706-W720 HydrophobicContact CD1-CD2 4.01Å; L706-W720 HydrophobicContact CD1-CG 3.65Å; L706-W720 HydrophobicContact CD2-CD2 3.54Å; L706-W720 HydrophobicContact CD2-CE3 3.51Å; L706-W720 HydrophobicContact CD2-CG 4.12Å; L706-W720 HydrophobicContact CD2-CH2 4.09Å; L706-W720 HydrophobicContact CD2-CZ2 4.1Å; L706-W720 HydrophobicContact CD2-CZ3 3.79Å; L706-W720 HydrophobicContact CG-CD2 4.3Å; L706-W720 HydrophobicContact CG-CG 4.42Å
707	L	80.4	Confident	83.1	Confident	133 Å²	133	86.5 Å²	86.5	70%	0.696	47%	0.473	S	S	*	.	H	α-helix	trans	-73.2	-27.8	178.3	-63.7	172.8	0	0	0	113	I703 S704 D709	I703-L707 HydrophobicContact CG2-CD1 3.89Å; I703-L707 HydrophobicContact CG2-CG 4.34Å; I703-L707 WeakPolarHBondContact O-CG 3.33Å; I703-L707 PolarHBondContact O-N 2.97Å; S704-L707 CarbonylContact O-C 3.46Å; S704-L707 WeakPolarHBondContact O-CA 3.49Å; S704-L707 PolarHBondContact O-N 3.11Å; L707-D709 VanDerWaalsContact C-N 3.34Å
708	D	84.7	Confident	83.3	Confident	114 Å²	114	89.4 Å²	89.4	61%	0.61	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.3	176.1	-70	-52.6	0	0	0	112.6	S704 S710	S704-D708 VanDerWaalsContact C-OD2 3.31Å; S704-D708 WeakPolarHBondContact O-CB 3.3Å; S704-D708 VanDerWaalsContact O-CG 3.24Å; S704-D708 PolarHBondContact O-N 2.96Å; S704-D708 PolarHBondContact OG-OD2 3.42Å; D708-S710 PolarHBondContact O-N 3.31Å; D708-S710 VanDerWaalsContact O-N 3.11Å
709	D	83.7	Confident	83.5	Confident	53 Å²	53	95.1 Å²	95.1	28%	0.283	49%	0.49	S	S	.	.			trans	-74.2	99.8	176.5	-173.4	-7.5	0	0	0	110.8	L706 L707 D711 L712 K716	L706-D709 PolarHBondContact O-N 3.43Å; L707-D709 VanDerWaalsContact C-N 3.34Å; D709-D711 PolarHBondContact O-N 3.42Å; D709-D711 VanDerWaalsContact O-N 3.12Å; D709-D711 PolarHBondContact OD1-N 2.93Å; D709-L712 HydrophobicContact CB-CB 4.34Å; D709-L712 WeakPolarHBondContact O-CB 3.43Å; D709-L712 PolarHBondContact O-N 3.46Å; D709-L712 VanDerWaalsContact O-N 3.09Å; D709-K716 IonicContact OD1-NZ 2.91Å; D709-K716 PolarHBondContact OD1-NZ 2.85Å; D709-K716 VanDerWaalsContact OD2-CD 3.28Å; D709-K716 WeakPolarHBondContact OD2-CD 3.44Å; D709-K716 WeakPolarHBondContact OD2-CE 3.31Å; D709-K716 IonicContact OD2-NZ 2.71Å; D709-K716 PolarHBondContact OD2-NZ 2.9Å
710	S	76.1	Confident	83.5	Confident	122 Å²	122	93.9 Å²	93.9	85%	0.853	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.4	-179.6	-54	0	0	0	0	113.9	D708	D708-S710 PolarHBondContact O-N 3.31Å; D708-S710 VanDerWaalsContact O-N 3.11Å
711	D	82.8	Confident	83.6	Confident	125 Å²	125	92 Å²	92	67%	0.668	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	32	176.9	-65.5	-50.5	0	0	0	111.1	D709 T713 K716	D709-D711 PolarHBondContact O-N 3.42Å; D709-D711 VanDerWaalsContact O-N 3.12Å; D709-D711 PolarHBondContact OD1-N 2.93Å; D711-T713 PolarHBondContact O-N 2.88Å; D711-K716 WeakPolarHBondContact O-CD 3.21Å; D711-K716 WeakPolarHBondContact O-CE 3.39Å; D711-K716 PolarHBondContact O-NZ 3.09Å
712	L	85.1	Confident	83.6	Confident	71 Å²	71	91.4 Å²	91.4	37%	0.372	47%	0.468	S	S	.	.			trans	-62.5	108.1	179.5	-177.4	64	0	0	0	111.2	L706 D709 K716	L706-L712 HydrophobicContact CD1-CD1 3.63Å; L706-L712 HydrophobicContact CG-CD1 4.18Å; L706-L712 HydrophobicContact CG-CD2 4.4Å; D709-L712 HydrophobicContact CB-CB 4.34Å; D709-L712 WeakPolarHBondContact O-CB 3.43Å; D709-L712 PolarHBondContact O-N 3.46Å; D709-L712 VanDerWaalsContact O-N 3.09Å; L712-K716 HydrophobicContact CD1-CB 4.15Å
713	T	86.5	Confident	83.5	Confident	72 Å²	72	92.7 Å²	92.7	44%	0.442	47%	0.474	S	S	.	.			trans	-99.9	154.9	175.9	60	0	0	0	0	111.4	D711 S715 K716 Y717	D711-T713 PolarHBondContact O-N 2.88Å; T713-S715 PolarHBondContact O-N 2.74Å; T713-K716 WeakPolarHBondContact O-CB 3.47Å; T713-K716 PolarHBondContact O-N 2.58Å; T713-K716 PolarHBondContact OG1-N 2.8Å; T713-Y717 PolarHBondContact O-N 2.96Å
714	A	83.6	Confident	83.6	Confident	67 Å²	67	91.8 Å²	91.8	55%	0.554	47%	0.469	S	S	*	.	H	α-helix	trans	-58.3	-18.5	175.8	0	0	0	0	0	113.9	R718	A714-R718 WeakPolarHBondContact O-CB 3.4Å; A714-R718 WeakPolarHBondContact O-CG 3.43Å; A714-R718 PolarHBondContact O-N 3.37Å; A714-R718 PolarHBondContact O-NE 2.96Å
715	S	82.5	Confident	83.5	Confident	82 Å²	82	96 Å²	96	57%	0.573	48%	0.483	S	S	*	.	H	α-helix	trans	-80.8	-45.5	172.7	-51.7	0	0	0	0	111.8	T713 Y717 R718 W719	T713-S715 PolarHBondContact O-N 2.74Å; S715-Y717 VanDerWaalsContact C-N 3.33Å; S715-Y717 PolarHBondContact O-N 3.12Å; S715-R718 PolarHBondContact O-N 3.43Å; S715-W719 PolarHBondContact O-N 2.8Å
716	K	82.8	Confident	83.3	Confident	79 Å²	79	96.7 Å²	96.7	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-57.1	-46.1	171.1	-76.2	177.8	174.3	177.5	0	111.1	D709 D711 L712 T713 W719 W720	D709-K716 IonicContact OD1-NZ 2.91Å; D709-K716 PolarHBondContact OD1-NZ 2.85Å; D709-K716 VanDerWaalsContact OD2-CD 3.28Å; D709-K716 WeakPolarHBondContact OD2-CD 3.44Å; D709-K716 WeakPolarHBondContact OD2-CE 3.31Å; D709-K716 IonicContact OD2-NZ 2.71Å; D709-K716 PolarHBondContact OD2-NZ 2.9Å; D711-K716 WeakPolarHBondContact O-CD 3.21Å; D711-K716 WeakPolarHBondContact O-CE 3.39Å; D711-K716 PolarHBondContact O-NZ 3.09Å; L712-K716 HydrophobicContact CD1-CB 4.15Å; T713-K716 WeakPolarHBondContact O-CB 3.47Å; T713-K716 PolarHBondContact O-N 2.58Å; T713-K716 PolarHBondContact OG1-N 2.8Å; K716-W719 PolarHBondContact O-N 2.91Å; K716-W720 WeakPolarHBondContact O-CB 3.48Å; K716-W720 PolarHBondContact O-N 3.47Å
717	Y	85.3	Confident	83.2	Confident	99 Å²	99	96.6 Å²	96.6	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-44.3	180	-179.7	-96.6	0	0	0	112.5	L706 T713 S715 W720 K721	L706-Y717 HydrophobicContact CD2-CD2 3.93Å; L706-Y717 HydrophobicContact CD2-CE2 4.01Å; T713-Y717 PolarHBondContact O-N 2.96Å; S715-Y717 VanDerWaalsContact C-N 3.33Å; S715-Y717 PolarHBondContact O-N 3.12Å; Y717-W720 HydrophobicContact CE2-CE3 4.31Å; Y717-W720 HydrophobicContact CE2-CZ3 4.46Å; Y717-W720 PolarHBondContact O-N 3.2Å; Y717-K721 PolarHBondContact O-N 3.34Å
718	R	85.5	Confident	83.3	Confident	165 Å²	165	90.5 Å²	90.5	62%	0.623	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-43.4	176.4	-87.2	176.8	-78	169.7	-9.2	112.4	A714 S715 W720 K721 D722	A714-R718 WeakPolarHBondContact O-CB 3.4Å; A714-R718 WeakPolarHBondContact O-CG 3.43Å; A714-R718 PolarHBondContact O-N 3.37Å; A714-R718 PolarHBondContact O-NE 2.96Å; S715-R718 PolarHBondContact O-N 3.43Å; R718-W720 VanDerWaalsContact C-N 3.32Å; R718-W720 PolarHBondContact O-N 2.72Å; R718-K721 PolarHBondContact O-N 3.23Å; R718-D722 WeakPolarHBondContact O-CB 3.37Å; R718-D722 PolarHBondContact O-N 3Å
719	W	84.2	Confident	83.2	Confident	174 Å²	174	88.1 Å²	88.1	66%	0.659	45%	0.449	S	S	*	.	H	α-helix	trans	-64	-37.1	174	-178.5	75.7	0	0	0	112.2	S715 K716 Q723	S715-W719 PolarHBondContact O-N 2.8Å; K716-W719 PolarHBondContact O-N 2.91Å; W719-Q723 HydrophobicContact CD2-CG 4.21Å; W719-Q723 HydrophobicContact CH2-CG 4.42Å; W719-Q723 HydrophobicContact CZ2-CG 3.87Å; W719-Q723 WeakPolarHBondContact O-CB 2.8Å; W719-Q723 VanDerWaalsContact O-CG 3.24Å; W719-Q723 WeakPolarHBondContact O-CG 3.39Å; W719-Q723 PolarHBondContact O-N 3.44Å; W719-Q723 VanDerWaalsContact O-N 3.09Å
720	W	86.3	Confident	83.2	Confident	25 Å²	25	89.3 Å²	89.3	10%	0.095	45%	0.453	C	S	.	.	H	α-helix	trans	-66.5	-43.6	173.7	-179.6	91.9	0	0	0	112.3	Q702 I703 L706 K716 Y717 R718 D722 Q723 N724 L727 V728	Q702-W720 HydrophobicContact CG-CZ2 4.42Å; I703-W720 HydrophobicContact CG1-CH2 4.2Å; I703-W720 HydrophobicContact CG1-CZ2 4.08Å; L706-W720 HydrophobicContact CD1-CB 3.87Å; L706-W720 HydrophobicContact CD1-CD2 4.01Å; L706-W720 HydrophobicContact CD1-CG 3.65Å; L706-W720 HydrophobicContact CD2-CD2 3.54Å; L706-W720 HydrophobicContact CD2-CE3 3.51Å; L706-W720 HydrophobicContact CD2-CG 4.12Å; L706-W720 HydrophobicContact CD2-CH2 4.09Å; L706-W720 HydrophobicContact CD2-CZ2 4.1Å; L706-W720 HydrophobicContact CD2-CZ3 3.79Å; L706-W720 HydrophobicContact CG-CD2 4.3Å; L706-W720 HydrophobicContact CG-CG 4.42Å; K716-W720 WeakPolarHBondContact O-CB 3.48Å; K716-W720 PolarHBondContact O-N 3.47Å; Y717-W720 HydrophobicContact CE2-CE3 4.31Å; Y717-W720 HydrophobicContact CE2-CZ3 4.46Å; Y717-W720 PolarHBondContact O-N 3.2Å; R718-W720 VanDerWaalsContact C-N 3.32Å; R718-W720 PolarHBondContact O-N 2.72Å; W720-D722 PolarHBondContact O-N 3.38Å; W720-Q723 CarbonylContact O-C 3.53Å; W720-Q723 PolarHBondContact O-N 2.84Å; W720-N724 HydrophobicContact CD2-CB 4.41Å; W720-N724 HydrophobicContact CH2-CB 4.41Å; W720-N724 HydrophobicContact CZ2-CB 4.22Å; W720-N724 PolarHBondContact NE1-ND2 3.49Å; W720-N724 VanDerWaalsContact O-CB 3.29Å; W720-N724 WeakPolarHBondContact O-CB 3.49Å; W720-N724 PolarHBondContact O-N 2.8Å; W720-N724 VanDerWaalsContact O-N 3.09Å; W720-N724 PolarHBondContact O-ND2 3.47Å; W720-L727 HydrophobicContact CH2-CD2 4.42Å; W720-L727 HydrophobicContact CZ2-CD2 4.19Å; W720-V728 HydrophobicContact CE3-CG2 4.35Å; W720-V728 HydrophobicContact CH2-CG2 3.97Å; W720-V728 HydrophobicContact CZ3-CG2 3.5Å
721	K	84.8	Confident	83.4	Confident	75 Å²	75	86.9 Å²	86.9	33%	0.326	43%	0.43	S	S	.	.	H	α-helix	trans	-60.3	-45.2	176.7	173.6	163.1	-176.5	160.1	0	111.4	Y717 R718 Q723 N724 E725 V728 E732	Y717-K721 PolarHBondContact O-N 3.34Å; R718-K721 PolarHBondContact O-N 3.23Å; K721-Q723 VanDerWaalsContact C-N 3.33Å; K721-Q723 PolarHBondContact O-N 3.38Å; K721-N724 CarbonylContact O-C 3.34Å; K721-N724 PolarHBondContact O-N 3.27Å; K721-N724 VanDerWaalsContact O-N 3.11Å; K721-E725 PolarHBondContact O-N 3.35Å; K721-E725 VanDerWaalsContact O-N 3.16Å; K721-V728 HydrophobicContact CB-CG2 4.44Å; K721-V728 HydrophobicContact CD-CG1 3.77Å; K721-V728 VanDerWaalsContact CE-CG1 3.44Å; K721-V728 HydrophobicContact CG-CB 4.33Å; K721-V728 HydrophobicContact CG-CG1 4.08Å; K721-V728 HydrophobicContact CG-CG2 4.13Å; K721-E732 IonicContact NZ-OE1 3.78Å; K721-E732 PolarHBondContact NZ-OE1 3.44Å; K721-E732 IonicContact NZ-OE2 3.31Å; K721-E732 PolarHBondContact NZ-OE2 3.22Å
722	D	83.9	Confident	83.4	Confident	108 Å²	108	85.6 Å²	85.6	58%	0.578	42%	0.42	S	S	*	.	H	α-helix	trans	-55.4	-45	174.3	173.7	102.3	0	0	0	112.1	R718 W720 N724	R718-D722 WeakPolarHBondContact O-CB 3.37Å; R718-D722 PolarHBondContact O-N 3Å; W720-D722 PolarHBondContact O-N 3.38Å; D722-N724 VanDerWaalsContact C-N 3.27Å; D722-N724 PolarHBondContact O-N 3.09Å
723	Q	80.9	Confident	83.4	Confident	113 Å²	113	89.3 Å²	89.3	53%	0.528	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.7	178.6	-60.4	-67	-80.2	0	0	114.5	W719 W720 K721	W719-Q723 HydrophobicContact CD2-CG 4.21Å; W719-Q723 HydrophobicContact CH2-CG 4.42Å; W719-Q723 HydrophobicContact CZ2-CG 3.87Å; W719-Q723 WeakPolarHBondContact O-CB 2.8Å; W719-Q723 VanDerWaalsContact O-CG 3.24Å; W719-Q723 WeakPolarHBondContact O-CG 3.39Å; W719-Q723 PolarHBondContact O-N 3.44Å; W719-Q723 VanDerWaalsContact O-N 3.09Å; W720-Q723 CarbonylContact O-C 3.53Å; W720-Q723 PolarHBondContact O-N 2.84Å; K721-Q723 VanDerWaalsContact C-N 3.33Å; K721-Q723 PolarHBondContact O-N 3.38Å
724	N	83.9	Confident	82.9	Confident	20 Å²	20	91.1 Å²	91.1	11%	0.107	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.5	33.1	-176	-67.8	-96	0	0	0	111.8	Q702 W720 K721 D722 E726 L727 V728	Q702-N724 PolarHBondContact NE2-OD1 3.44Å; W720-N724 HydrophobicContact CD2-CB 4.41Å; W720-N724 HydrophobicContact CH2-CB 4.41Å; W720-N724 HydrophobicContact CZ2-CB 4.22Å; W720-N724 PolarHBondContact NE1-ND2 3.49Å; W720-N724 VanDerWaalsContact O-CB 3.29Å; W720-N724 WeakPolarHBondContact O-CB 3.49Å; W720-N724 PolarHBondContact O-N 2.8Å; W720-N724 VanDerWaalsContact O-N 3.09Å; W720-N724 PolarHBondContact O-ND2 3.47Å; K721-N724 CarbonylContact O-C 3.34Å; K721-N724 PolarHBondContact O-N 3.27Å; K721-N724 VanDerWaalsContact O-N 3.11Å; D722-N724 VanDerWaalsContact C-N 3.27Å; D722-N724 PolarHBondContact O-N 3.09Å; N724-E726 PolarHBondContact O-N 2.86Å; N724-L727 HydrophobicContact CB-CB 4.39Å; N724-L727 PolarHBondContact O-N 3.41Å; N724-V728 WeakPolarHBondContact O-CG2 3.15Å; N724-V728 PolarHBondContact O-N 3.44Å
725	E	82.9	Confident	82.5	Confident	139 Å²	139	90.8 Å²	90.8	65%	0.65	44%	0.436	S	S	*	.	H	α-helix	trans	-57.1	-42.5	-170.8	-175.8	167.5	-143.7	0	0	113.6	K721 V728 S729	K721-E725 PolarHBondContact O-N 3.35Å; K721-E725 VanDerWaalsContact O-N 3.16Å; E725-V728 PolarHBondContact O-N 2.73Å; E725-S729 VanDerWaalsContact O-CB 3.3Å; E725-S729 WeakPolarHBondContact O-CB 3.45Å; E725-S729 PolarHBondContact O-N 3.48Å; E725-S729 PolarHBondContact O-OG 2.85Å
726	E	79.8	Confident	82.2	Confident	175 Å²	175	90.6 Å²	90.6	82%	0.818	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-48.8	176.1	-61.6	-177	157.1	0	0	112.1	N724 V728 S729 E730	N724-E726 PolarHBondContact O-N 2.86Å; E726-V728 VanDerWaalsContact C-N 3.35Å; E726-V728 PolarHBondContact O-N 2.86Å; E726-S729 WeakPolarHBondContact O-CB 3.48Å; E726-S729 PolarHBondContact O-N 2.94Å; E726-E730 PolarHBondContact O-N 3.37Å
727	L	81.9	Confident	81.5	Confident	18 Å²	18	91.2 Å²	91.2	9%	0.094	45%	0.445	C	S	.	.	H	α-helix	trans	-62.8	-42.2	179.3	174.7	56.4	0	0	0	111.2	E699 I703 W720 N724 E730 I731	E699-L727 HydrophobicContact CB-CD1 3.84Å; E699-L727 HydrophobicContact CB-CD2 3.98Å; E699-L727 HydrophobicContact CG-CD1 3.98Å; E699-L727 HydrophobicContact CG-CD2 4.22Å; E699-L727 WeakPolarHBondContact OE2-CD1 3.29Å; I703-L727 HydrophobicContact CD1-CD1 4.22Å; I703-L727 HydrophobicContact CD1-CD2 4.2Å; I703-L727 HydrophobicContact CD1-CG 4.46Å; I703-L727 HydrophobicContact CG1-CD2 4.1Å; W720-L727 HydrophobicContact CH2-CD2 4.42Å; W720-L727 HydrophobicContact CZ2-CD2 4.19Å; N724-L727 HydrophobicContact CB-CB 4.39Å; N724-L727 PolarHBondContact O-N 3.41Å; L727-E730 PolarHBondContact O-N 3Å; L727-I731 HydrophobicContact CD1-CD1 4.06Å; L727-I731 HydrophobicContact CD1-CG1 4.38Å; L727-I731 HydrophobicContact CG-CD1 4.03Å; L727-I731 WeakPolarHBondContact O-CD1 3.47Å; L727-I731 WeakPolarHBondContact O-CG1 3.36Å; L727-I731 PolarHBondContact O-N 3.02Å
728	V	82.6	Confident	80.2	Confident	5 Å²	5	88.9 Å²	88.9	3%	0.03	45%	0.446	C	S	.	.	H	α-helix	trans	-68.6	-36.6	176.8	176.5	0	0	0	0	111.3	W720 K721 N724 E725 E726 I731 E732	W720-V728 HydrophobicContact CE3-CG2 4.35Å; W720-V728 HydrophobicContact CH2-CG2 3.97Å; W720-V728 HydrophobicContact CZ3-CG2 3.5Å; K721-V728 HydrophobicContact CB-CG2 4.44Å; K721-V728 HydrophobicContact CD-CG1 3.77Å; K721-V728 VanDerWaalsContact CE-CG1 3.44Å; K721-V728 HydrophobicContact CG-CB 4.33Å; K721-V728 HydrophobicContact CG-CG1 4.08Å; K721-V728 HydrophobicContact CG-CG2 4.13Å; N724-V728 WeakPolarHBondContact O-CG2 3.15Å; N724-V728 PolarHBondContact O-N 3.44Å; E725-V728 PolarHBondContact O-N 2.73Å; E726-V728 VanDerWaalsContact C-N 3.35Å; E726-V728 PolarHBondContact O-N 2.86Å; V728-I731 PolarHBondContact O-N 3.24Å; V728-E732 HydrophobicContact CG1-CG 4.33Å; V728-E732 WeakPolarHBondContact CG1-OE1 3.48Å; V728-E732 WeakPolarHBondContact O-CB 3.32Å; V728-E732 WeakPolarHBondContact O-CG 3.37Å; V728-E732 PolarHBondContact O-N 2.8Å
729	S	82.6	Confident	78.6	Confident	63 Å²	63	82.5 Å²	82.5	44%	0.441	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-38.2	173.9	-59.3	0	0	0	0	112	E725 E726 E732 K733	E725-S729 VanDerWaalsContact O-CB 3.3Å; E725-S729 WeakPolarHBondContact O-CB 3.45Å; E725-S729 PolarHBondContact O-N 3.48Å; E725-S729 PolarHBondContact O-OG 2.85Å; E726-S729 WeakPolarHBondContact O-CB 3.48Å; E726-S729 PolarHBondContact O-N 2.94Å; S729-E732 PolarHBondContact O-N 3.08Å; S729-K733 VanDerWaalsContact O-CB 3.23Å; S729-K733 WeakPolarHBondContact O-CB 3.4Å; S729-K733 PolarHBondContact O-N 3.09Å
730	E	83.5	Confident	76.9	Confident	79 Å²	79	76.5 Å²	76.5	37%	0.369	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-39.8	173.8	-166.3	176.3	153.4	0	0	111.6	K696 E726 L727 K733 L734	K696-E730 VanDerWaalsContact CE-OE1 3.25Å; K696-E730 WeakPolarHBondContact CE-OE1 3.33Å; K696-E730 IonicContact NZ-OE1 3.98Å; K696-E730 PolarHBondContact NZ-OE1 3.14Å; K696-E730 IonicContact NZ-OE2 2.66Å; K696-E730 PolarHBondContact NZ-OE2 3.06Å; E726-E730 PolarHBondContact O-N 3.37Å; L727-E730 PolarHBondContact O-N 3Å; E730-K733 PolarHBondContact O-N 3.22Å; E730-L734 HydrophobicContact CG-CD1 4.24Å; E730-L734 WeakPolarHBondContact O-CB 3.34Å; E730-L734 VanDerWaalsContact O-CG 3.28Å; E730-L734 WeakPolarHBondContact O-CG 3.25Å; E730-L734 PolarHBondContact O-N 3.43Å
731	I	80.8	Confident	75	Confident	71 Å²	71	84.5 Å²	84.5	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-45.1	173.1	-68.3	161.7	0	0	0	111.1	I703 L727 V728 K733 L734 A735	I703-I731 HydrophobicContact CD1-CD1 3.85Å; I703-I731 HydrophobicContact CG1-CD1 4.47Å; L727-I731 HydrophobicContact CD1-CD1 4.06Å; L727-I731 HydrophobicContact CD1-CG1 4.38Å; L727-I731 HydrophobicContact CG-CD1 4.03Å; L727-I731 WeakPolarHBondContact O-CD1 3.47Å; L727-I731 WeakPolarHBondContact O-CG1 3.36Å; L727-I731 PolarHBondContact O-N 3.02Å; V728-I731 PolarHBondContact O-N 3.24Å; I731-K733 VanDerWaalsContact C-N 3.33Å; I731-K733 PolarHBondContact O-N 3.31Å; I731-L734 PolarHBondContact O-N 2.91Å; I731-A735 VanDerWaalsContact O-CB 3.24Å; I731-A735 WeakPolarHBondContact O-CB 3.25Å; I731-A735 PolarHBondContact O-N 3.23Å
732	E	83.1	Confident	72.9	Confident	98 Å²	98	86.4 Å²	86.4	46%	0.458	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-33.8	178.5	-73.8	171	-169	0	0	111.5	K721 V728 S729 S736	K721-E732 IonicContact NZ-OE1 3.78Å; K721-E732 PolarHBondContact NZ-OE1 3.44Å; K721-E732 IonicContact NZ-OE2 3.31Å; K721-E732 PolarHBondContact NZ-OE2 3.22Å; V728-E732 HydrophobicContact CG1-CG 4.33Å; V728-E732 WeakPolarHBondContact CG1-OE1 3.48Å; V728-E732 WeakPolarHBondContact O-CB 3.32Å; V728-E732 WeakPolarHBondContact O-CG 3.37Å; V728-E732 PolarHBondContact O-N 2.8Å; S729-E732 PolarHBondContact O-N 3.08Å; E732-S736 WeakPolarHBondContact O-CB 3.49Å; E732-S736 PolarHBondContact O-N 2.97Å; E732-S736 PolarHBondContact O-OG 3.08Å
733	K	84.1	Confident	70.8	Confident	149 Å²	149	86.1 Å²	86.1	65%	0.648	47%	0.47	S	S	*	.	H	α-helix	trans	-68.3	-41.9	171.2	-172.6	176	-177.3	177.5	0	112.9	S729 E730 I731 S736 V737	S729-K733 VanDerWaalsContact O-CB 3.23Å; S729-K733 WeakPolarHBondContact O-CB 3.4Å; S729-K733 PolarHBondContact O-N 3.09Å; E730-K733 PolarHBondContact O-N 3.22Å; I731-K733 VanDerWaalsContact C-N 3.33Å; I731-K733 PolarHBondContact O-N 3.31Å; K733-S736 WeakPolarHBondContact CA-OG 3.49Å; K733-S736 PolarHBondContact O-OG 3.29Å; K733-V737 WeakPolarHBondContact O-CG2 3.43Å; K733-V737 PolarHBondContact O-N 2.59Å; K733-V737 VanDerWaalsContact O-N 3.13Å
734	L	76.6	Confident	68.7	Low	110 Å²	110	84.9 Å²	84.9	58%	0.576	48%	0.479	S	S	*	.	H	α-helix	trans	-69.6	-37.5	175.3	-72	168.8	0	0	0	111.7	E730 I731 V737 A738	E730-L734 HydrophobicContact CG-CD1 4.24Å; E730-L734 WeakPolarHBondContact O-CB 3.34Å; E730-L734 VanDerWaalsContact O-CG 3.28Å; E730-L734 WeakPolarHBondContact O-CG 3.25Å; E730-L734 PolarHBondContact O-N 3.43Å; I731-L734 PolarHBondContact O-N 2.91Å; L734-V737 PolarHBondContact O-N 2.83Å; L734-A738 WeakPolarHBondContact O-CB 3.28Å; L734-A738 PolarHBondContact O-N 2.81Å
735	A	74.3	Confident	66.3	Low	59 Å²	59	94.2 Å²	94.2	49%	0.488	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-38.5	176.6	0	0	0	0	0	112.5	I731 A738 G739	I731-A735 VanDerWaalsContact O-CB 3.24Å; I731-A735 WeakPolarHBondContact O-CB 3.25Å; I731-A735 PolarHBondContact O-N 3.23Å; A735-A738 PolarHBondContact O-N 3.07Å; A735-G739 PolarHBondContact O-N 2.78Å
736	S	75.6	Confident	63.9	Low	79 Å²	79	91.4 Å²	91.4	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-70.1	-37.9	174.7	44.6	0	0	0	0	112.5	E732 K733 A738 G739 G740	E732-S736 WeakPolarHBondContact O-CB 3.49Å; E732-S736 PolarHBondContact O-N 2.97Å; E732-S736 PolarHBondContact O-OG 3.08Å; K733-S736 WeakPolarHBondContact CA-OG 3.49Å; K733-S736 PolarHBondContact O-OG 3.29Å; S736-A738 VanDerWaalsContact C-N 3.32Å; S736-A738 PolarHBondContact O-N 3.29Å; S736-G739 PolarHBondContact O-N 3.35Å; S736-G740 PolarHBondContact O-N 2.92Å
737	V	69.5	Low	61.6	Low	91 Å²	91	91.9 Å²	91.9	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-65.1	-33.4	171.3	170.7	0	0	0	0	112.3	K733 L734	K733-V737 WeakPolarHBondContact O-CG2 3.43Å; K733-V737 PolarHBondContact O-N 2.59Å; K733-V737 VanDerWaalsContact O-N 3.13Å; L734-V737 PolarHBondContact O-N 2.83Å
738	A	56.5	Low	59.1	Low	51 Å²	51	95 Å²	95	42%	0.421	55%	0.553	S	S	.	*	H	α-helix	trans	-71.1	-49.6	172.5	0	0	0	0	0	112	L734 A735 S736 G740 R741	L734-A738 WeakPolarHBondContact O-CB 3.28Å; L734-A738 PolarHBondContact O-N 2.81Å; A735-A738 PolarHBondContact O-N 3.07Å; S736-A738 VanDerWaalsContact C-N 3.32Å; S736-A738 PolarHBondContact O-N 3.29Å; A738-G740 PolarHBondContact O-N 3.27Å; A738-R741 WeakPolarHBondContact O-CB 3.46Å; A738-R741 PolarHBondContact O-N 2.69Å
739	G	52.9	Low	56.5	Low	31 Å²	31	98.1 Å²	98.1	32%	0.32	59%	0.585	S	S	.	*	H	α-helix	trans	-58.9	-33.3	179.7	0	0	0	0	0	113.5	A735 S736 R741 D742 V743	A735-G739 PolarHBondContact O-N 2.78Å; S736-G739 PolarHBondContact O-N 3.35Å; G739-R741 PolarHBondContact O-N 2.9Å; G739-D742 PolarHBondContact O-N 2.95Å; G739-V743 WeakPolarHBondContact O-CG2 3.26Å; G739-V743 PolarHBondContact O-N 3.03Å
740	G	48.9	Very low	54	Low	48 Å²	48	103.8 Å²	103.8	50%	0.495	61%	0.605	S	S	.	*	H	α-helix	trans	-60.7	-19.6	172.4	0	0	0	0	0	114.9	S736 A738 A744	S736-G740 PolarHBondContact O-N 2.92Å; A738-G740 PolarHBondContact O-N 3.27Å; G740-A744 WeakPolarHBondContact O-CB 3.45Å
741	R	46.3	Very low	51.2	Low	193 Å²	193	107.5 Å²	107.5	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-89.4	-32.7	174.5	-65.2	-176.4	176.7	178.3	-0.6	113.3	A738 G739	A738-R741 WeakPolarHBondContact O-CB 3.46Å; A738-R741 PolarHBondContact O-N 2.69Å; G739-R741 PolarHBondContact O-N 2.9Å
742	D	40.7	Very low	48.7	Very low	115 Å²	115	110.3 Å²	110.3	62%	0.615	65%	0.647	S	S	*	*	H	α-helix	trans	-80.4	-34	179.5	-70.7	-33.9	0	0	0	112	G739 R745 A746	G739-D742 PolarHBondContact O-N 2.95Å; D742-R745 PolarHBondContact O-N 3.03Å; D742-R745 VanDerWaalsContact O-N 3.16Å; D742-A746 PolarHBondContact O-N 3.09Å
743	V	39.8	Very low	45.9	Very low	102 Å²	102	109.7 Å²	109.7	62%	0.618	66%	0.659	S	S	*	*	H	α-helix	trans	-64.8	-42.9	171.3	175.4	0	0	0	0	110.9	G739 R745 A746	G739-V743 WeakPolarHBondContact O-CG2 3.26Å; G739-V743 PolarHBondContact O-N 3.03Å; V743-R745 PolarHBondContact O-N 2.98Å; V743-A746 PolarHBondContact O-N 3.24Å; V743-A746 VanDerWaalsContact O-N 3.08Å
744	A	35.5	Very low	43.1	Very low	86 Å²	86	107.4 Å²	107.4	71%	0.711	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	3.2	174.1	0	0	0	0	0	114.5	G740	G740-A744 WeakPolarHBondContact O-CB 3.45Å
745	R	35	Very low	40.6	Very low	216 Å²	216	107.4 Å²	107.4	82%	0.815	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-4.3	175.9	-164.5	175.9	177.2	85.8	6.8	112.8	D742 V743	D742-R745 PolarHBondContact O-N 3.03Å; D742-R745 VanDerWaalsContact O-N 3.16Å; V743-R745 PolarHBondContact O-N 2.98Å
746	A	32.2	Very low	38.4	Very low	80 Å²	80	109.4 Å²	109.4	66%	0.661	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-23.7	-174.6	0	0	0	0	0	114.3	D742 V743	D742-A746 PolarHBondContact O-N 3.09Å; V743-A746 PolarHBondContact O-N 3.24Å; V743-A746 VanDerWaalsContact O-N 3.08Å
747	E	31	Very low	36.1	Very low	185 Å²	185	112.6 Å²	112.6	86%	0.864	71%	0.711	S	S	*	*	S	Bend	trans	-102.9	92.7	174.2	-64.8	-170.6	153	0	0	109.6
748	G	30.4	Very low	34.1	Very low	85 Å²	85	112 Å²	112	88%	0.876	71%	0.711	S	S	*	*			trans	176	25.3	-173.2	0	0	0	0	0	116.9
749	G	27.1	Very low	32.9	Very low	69 Å²	69	119.8 Å²	119.8	71%	0.711	73%	0.729	S	S	*	*			trans	-159.5	157.3	172.8	0	0	0	0	0	110.3
750	E	30.8	Very low	31.6	Very low	183 Å²	183	124.6 Å²	124.6	86%	0.855	75%	0.748	S	S	*	*			cis	-137.8	-160.9	3.8	-65	-174.3	94.3	0	0	110.7
751	D	24.6	Very low	30.7	Very low	157 Å²	157	129.6 Å²	129.6	84%	0.84	76%	0.762	S	S	*	*			trans	74	149.3	170.2	-59.1	-39	0	0	0	117.5
752	V	27.2	Very low	29.6	Very low	130 Å²	130	124.5 Å²	124.5	79%	0.788	76%	0.76	S	S	*	*			cis	-134.8	136.3	18.7	177	0	0	0	0	112.7
753	A	25.2	Very low	30	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	77%	0.768	S	S	*	*			trans	58.3	140.8	157.9	0	0	0	0	0	119.6
754	A	25.2	Very low	29.4	Very low	102 Å²	102	123.7 Å²	123.7	84%	0.843	77%	0.77	S	S	*	*			cis	76.3	92.1	27.2	0	0	0	0	0	115.5
755	A	23.1	Very low	29.1	Very low	109 Å²	109	129 Å²	129	90%	0.901	78%	0.781	S	S	*	*			trans	-127.5	144.3	165.4	0	0	0	0	0	109.6
756	A	28.3	Very low	28.7	Very low	102 Å²	102	122.5 Å²	122.5	84%	0.843	78%	0.781	S	S	*	*			trans	-115.3	150.3	-167.5	0	0	0	0	0	114.4
757	D	28	Very low	28.5	Very low	145 Å²	145	122.4 Å²	122.4	78%	0.775	79%	0.788	S	S	*	*			trans	5.9	133.7	155.7	-159.6	17	0	0	0	121.8
758	S	28.2	Very low	28.5	Very low	79 Å²	79	122.8 Å²	122.8	55%	0.552	79%	0.789	S	S	*	*			trans	66.9	120.6	146.1	-78.4	0	0	0	0	123.9
759	R	30.3	Very low	28.4	Very low	215 Å²	215	126.1 Å²	126.1	81%	0.811	79%	0.787	S	S	*	*			trans	77.9	117.2	133.2	-68.1	-177.9	-179.8	141.4	3.3	122.4
760	D	26.6	Very low	28.6	Very low	132 Å²	132	129.1 Å²	129.1	71%	0.706	79%	0.791	S	S	*	*				67	126.4	124.7	-62.9	-43.5	0	0	0	123.3
761	I	28.7	Very low	28.5	Very low	153 Å²	153	124.5 Å²	124.5	79%	0.785	78%	0.784	S	S	*	*			trans	79.1	97.4	145.6	-61.6	162.1	0	0	0	119.4
762	A	24.2	Very low	29.8	Very low	85 Å²	85	122.8 Å²	122.8	70%	0.702	78%	0.782	S	S	*	*				17.3	160.4	119.2	0	0	0	0	0	122.4
763	P	48.2	Very low	30.3	Very low	118 Å²	118	120.8 Å²	120.8	77%	0.766	78%	0.779	S	S	*	*			cis	-145.5	-175.5	-25.5	40.1	-21	0	0	0	116.4
764	A	27.9	Very low	30.8	Very low	82 Å²	82	126.3 Å²	126.3	68%	0.678	79%	0.79	S	S	*	*			trans	85.4	131.8	139.3	0	0	0	0	0	123
765	E	28.9	Very low	31.3	Very low	199 Å²	199	125.1 Å²	125.1	93%	0.93	79%	0.788	S	S	*	*			trans	59.3	149.5	155.6	-62.6	178.2	-161.4	0	0	119.1
766	G	27.3	Very low	31.8	Very low	79 Å²	79	123.6 Å²	123.6	81%	0.814	78%	0.783	S	S	*	*			cis	165.4	167.7	-4.6	0	0	0	0	0	111.1
767	G	27.7	Very low	32.2	Very low	78 Å²	78	128 Å²	128	80%	0.804	79%	0.787	S	S	*	*			trans	103.6	100.6	160.8	0	0	0	0	0	119.9
768	E	30.3	Very low	32.5	Very low	193 Å²	193	128.2 Å²	128.2	90%	0.902	79%	0.788	S	S	*	*			trans	19.9	115.8	132.3	-64.4	173.3	143.7	0	0	123.2
769	D	29.3	Very low	33	Very low	154 Å²	154	130.5 Å²	130.5	82%	0.824	80%	0.798	S	S	*	*				80.9	167.5	108.9	-147	9.2	0	0	0	123.3
770	V	30.2	Very low	33	Very low	132 Å²	132	124.3 Å²	124.3	80%	0.8	79%	0.792	S	S	*	*			trans	94.9	136.2	170.4	-169.2	0	0	0	0	118.5
771	A	28.6	Very low	34.2	Very low	86 Å²	86	123.2 Å²	123.2	71%	0.711	79%	0.792	S	S	*	*			trans	-109.5	-141.3	-175	0	0	0	0	0	111.5
772	P	52.6	Low	34.6	Very low	121 Å²	121	122.1 Å²	122.1	79%	0.786	79%	0.793	S	S	*	*			cis	-145.5	-175.4	-1.5	44.8	-24.5	0	0	0	118.5
773	A	37.1	Very low	35	Very low	88 Å²	88	127.9 Å²	127.9	73%	0.727	80%	0.796	S	S	*	*			trans	98.8	147.6	132.8	0	0	0	0	0	125.5
774	E	36.7	Very low	33.9	Very low	200 Å²	200	128.6 Å²	128.6	94%	0.935	79%	0.794	S	S	*	*			trans	72.3	139.9	163.4	-49.4	-155.4	165.9	0	0	121.6
775	G	34.8	Very low	33.9	Very low	78 Å²	78	131.1 Å²	131.1	80%	0.804	80%	0.801	S	S	*	*			cis	171.3	155.8	-9.6	0	0	0	0	0	116.6
776	G	33.4	Very low	34.4	Very low	77 Å²	77	127.3 Å²	127.3	79%	0.794	79%	0.793	S	S	*	*			trans	87.9	150.6	167.5	0	0	0	0	0	117.7
777	E	36.4	Very low	34.4	Very low	195 Å²	195	127.2 Å²	127.2	91%	0.911	79%	0.785	S	S	*	*			cis	-163.8	166.9	-5.4	-61.6	-172	120.2	0	0	107.4
778	D	36.1	Very low	34.4	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	79%	0.785	S	S	*	*			cis	-166.8	176.9	-33.7	-177.8	36.4	0	0	0	109.7
779	V	38.4	Very low	34.2	Very low	127 Å²	127	129 Å²	129	77%	0.77	78%	0.776	S	S	*	*			trans	89.2	134.1	164.4	-166.6	0	0	0	0	120.1
780	A	28.6	Very low	34.1	Very low	84 Å²	84	127.9 Å²	127.9	69%	0.694	78%	0.775	S	S	*	*			trans	-103.8	-148.5	-174.7	0	0	0	0	0	111.9
781	P	53.3	Low	33.8	Very low	109 Å²	109	125 Å²	125	71%	0.708	77%	0.765	S	S	*	*			cis	-142.4	157.4	-10.6	39.6	-19.8	0	0	0	118.7
782	V	36.2	Very low	33.6	Very low	131 Å²	131	128.5 Å²	128.5	79%	0.794	77%	0.771	S	S	*	*			trans	68.4	135.8	136.7	172	0	0	0	0	118.5
783	R	32.5	Very low	32.2	Very low	206 Å²	206	129.9 Å²	129.9	78%	0.777	77%	0.767	S	S	*	*				-171.2	153.9	56	-147.1	-173	177.8	114.7	11.3	116
784	D	26.3	Very low	31.7	Very low	133 Å²	133	132.3 Å²	132.3	71%	0.711	77%	0.773	S	S	*	*			trans	62.8	155.5	153	-63.1	-19.1	0	0	0	124.5
785	T	27.8	Very low	31.1	Very low	135 Å²	135	129.5 Å²	129.5	83%	0.828	77%	0.769	S	S	*	*			trans	-125.7	-161.3	-168.6	56.7	0	0	0	0	110.8
786	P	39.4	Very low	30.7	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	77%	0.765	S	S	*	*			cis	-113.1	-154.7	-2.5	43.3	-25.5	0	0	0	112.4
787	A	27.1	Very low	30.4	Very low	77 Å²	77	132.7 Å²	132.7	64%	0.636	77%	0.767	S	S	*	*			cis	-150.4	173.7	11.1	0	0	0	0	0	109.7
788	E	27.7	Very low	29.9	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	76%	0.764	S	S	*	*				66.7	129.7	52.6	-51.5	178.7	155.5	0	0	113.2
789	D	25.9	Very low	29.3	Very low	136 Å²	136	132.1 Å²	132.1	73%	0.727	77%	0.77	S	S	*	*			cis	-138.1	163.4	9.9	-98.5	-26.3	0	0	0	109.9
790	V	26.2	Very low	28.8	Very low	131 Å²	131	131 Å²	131	79%	0.794	77%	0.774	S	S	*	*			cis	69	145.2	45.9	-176.7	0	0	0	0	112.9
791	A	24.1	Very low	28.6	Very low	72 Å²	72	131.8 Å²	131.8	60%	0.595	78%	0.781	S	S	*	*			cis	-166.3	163	-43.6	0	0	0	0	0	108.1
792	L	25.1	Very low	27.5	Very low	160 Å²	160	131.4 Å²	131.4	84%	0.838	79%	0.787	S	S	*	*			trans	61.3	171.5	167.3	-56	165.6	0	0	0	114
793	E	22.8	Very low	27	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	79%	0.792	S	S	*	*			cis	-145.3	154.2	-11.5	-138.1	173	168.6	0	0	106.6
794	T	26.4	Very low	26.7	Very low	139 Å²	139	131.8 Å²	131.8	85%	0.853	80%	0.799	S	S	*	*				-177.4	152.2	97.5	25.8	0	0	0	0	110.5
795	V	25.6	Very low	26.8	Very low	140 Å²	140	135.2 Å²	135.2	85%	0.848	81%	0.81	S	S	*	*			trans	-103.3	136	-173.9	175.6	0	0	0	0	111.6
796	A	25.5	Very low	26.7	Very low	87 Å²	87	131.7 Å²	131.7	72%	0.719	80%	0.801	S	S	*	*			trans	-150.7	96.7	165.1	0	0	0	0	0	113.2
797	T	26.3	Very low	25.9	Very low	136 Å²	136	130.6 Å²	130.6	83%	0.834	80%	0.802	S	S	*	*			trans	55.9	134.9	147.6	51.6	0	0	0	0	122.1
798	E	27	Very low	25.8	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	82%	0.816	S	S	*	*			trans	-63.8	152	168.8	-55.1	155.4	93.2	0	0	113.3
799	T	23.7	Very low	25.7	Very low	150 Å²	150	139.6 Å²	139.6	92%	0.92	81%	0.814	S	S	*	*				-168	162.6	115	14.8	0	0	0	0	111.7
800	A	26.9	Very low	25.9	Very low	103 Å²	103	137.5 Å²	137.5	85%	0.851	80%	0.802	S	S	*	*			trans	-84.6	145.4	-165	0	0	0	0	0	115.4
801	A	25	Very low	26	Very low	101 Å²	101	135.3 Å²	135.3	84%	0.835	79%	0.792	S	S	*	*			trans	-155.8	153.8	139.2	0	0	0	0	0	108.9
802	A	29.8	Very low	26.5	Very low	101 Å²	101	135.4 Å²	135.4	84%	0.835	78%	0.783	S	S	*	*			trans	-129.6	128.9	173.3	0	0	0	0	0	109.1
803	E	26.6	Very low	26.7	Very low	196 Å²	196	130.5 Å²	130.5	92%	0.916	76%	0.762	S	S	*	*			trans	-131.5	146.4	172.3	-67.6	-165.2	142.1	0	0	110
804	T	26.3	Very low	27.1	Very low	148 Å²	148	131.1 Å²	131.1	91%	0.908	77%	0.77	S	S	*	*			trans	-122.4	121.8	-175	47.6	0	0	0	0	110.5
805	E	27.7	Very low	27.3	Very low	205 Å²	205	127.3 Å²	127.3	96%	0.958	76%	0.759	S	S	*	*			trans	-109.5	141.4	178.8	-172.5	179.5	-131.4	0	0	109.5
806	G	25	Very low	27.6	Very low	61 Å²	61	129.5 Å²	129.5	63%	0.629	76%	0.759	S	S	*	*			cis	-173.8	122.7	-8.9	0	0	0	0	0	108.4
807	A	24.3	Very low	27.7	Very low	96 Å²	96	133 Å²	133	79%	0.793	76%	0.761	S	S	*	*			trans	-100.2	121.7	-162.5	0	0	0	0	0	114.4	R809	A807-R809 VanDerWaalsContact C-N 3.29Å; A807-R809 PolarHBondContact O-N 3Å
808	Y	24.4	Very low	27.7	Very low	237 Å²	237	133.2 Å²	133.2	93%	0.929	76%	0.756	S	S	*	*			trans	-69.8	77.1	170.2	-64.4	-74	0	0	0	112.2
809	R	26.5	Very low	27.8	Very low	201 Å²	201	130.4 Å²	130.4	76%	0.758	75%	0.751	S	S	*	*			trans	-104.6	96.3	-177.6	-165.7	175.5	-169.5	167.3	3.4	112	Q219 A807 S811	Q219-R809 PolarHBondContact NE2-O 3.34Å; A807-R809 VanDerWaalsContact C-N 3.29Å; A807-R809 PolarHBondContact O-N 3Å; R809-S811 PolarHBondContact O-N 2.91Å
810	L	29.6	Very low	27.9	Very low	92 Å²	92	130.4 Å²	130.4	48%	0.482	75%	0.745	S	S	.	*			trans	-66.8	118.1	161.5	-77.4	165.1	0	0	0	109	Q219 R276 L812	Q219-L810 HydrophobicContact CG-CD2 4.24Å; R276-L810 VanDerWaalsContact NH2-CD1 3.28Å; L810-L812 VanDerWaalsContact C-N 3.27Å; L810-L812 PolarHBondContact O-N 2.91Å
811	S	27.4	Very low	28	Very low	84 Å²	84	129.8 Å²	129.8	59%	0.587	74%	0.741	S	S	*	*			trans	-84.6	69.9	179.5	-68.7	0	0	0	0	111	R809	R809-S811 PolarHBondContact O-N 2.91Å
812	L	34.6	Very low	28.3	Very low	75 Å²	75	133.7 Å²	133.7	39%	0.393	74%	0.742	S	S	.	*			trans	-77.7	122.8	159.4	-70	174.1	0	0	0	108.1	I272 L810	I272-L812 HydrophobicContact CD1-CD1 3.72Å; L810-L812 VanDerWaalsContact C-N 3.27Å; L810-L812 PolarHBondContact O-N 2.91Å
813	S	29.1	Very low	28.3	Very low	57 Å²	57	134.7 Å²	134.7	40%	0.399	74%	0.74	S	S	.	*			trans	-71	137.1	176.8	60.5	0	0	0	0	111.5	E223 G815	E223-S813 PolarHBondContact OE1-OG 3.49Å; S813-G815 PolarHBondContact O-N 3.33Å; S813-G815 VanDerWaalsContact O-N 3.16Å
814	D	32.7	Very low	28.3	Very low	162 Å²	162	130.6 Å²	130.6	87%	0.866	73%	0.733	S	S	*	*			trans	-82.6	77	159.2	-81.6	-35.6	0	0	0	107.8	E816	D814-E816 VanDerWaalsContact C-N 3.25Å; D814-E816 PolarHBondContact O-N 2.96Å
815	G	29.3	Very low	28.5	Very low	60 Å²	60	131.6 Å²	131.6	62%	0.619	73%	0.733	S	S	*	*			trans	-72.8	54.6	-167.6	0	0	0	0	0	116.4	S813 Q817	S813-G815 PolarHBondContact O-N 3.33Å; S813-G815 VanDerWaalsContact O-N 3.16Å; G815-Q817 PolarHBondContact O-N 2.8Å
816	E	31.8	Very low	28.5	Very low	185 Å²	185	128.1 Å²	128.1	86%	0.864	73%	0.725	S	S	*	*			trans	-76.3	58.3	156.1	-75.5	-150.2	134.4	0	0	110.8	D814	D814-E816 VanDerWaalsContact C-N 3.25Å; D814-E816 PolarHBondContact O-N 2.96Å
817	Q	28	Very low	28.6	Very low	162 Å²	162	131.9 Å²	131.9	76%	0.757	73%	0.73	S	S	*	*			trans	-149.2	94.9	169.9	-119.1	171.8	16.1	0	0	111.8	G815	G815-Q817 PolarHBondContact O-N 2.8Å
818	L	26.6	Very low	28.8	Very low	139 Å²	139	135.1 Å²	135.1	73%	0.728	73%	0.733	S	S	*	*			trans	-75.3	118.7	146.1	-86.5	163.5	0	0	0	106.6	F486 D820	F486-L818 HydrophobicContact CE1-CD1 4.28Å; F486-L818 HydrophobicContact CZ-CD1 3.84Å; L818-D820 PolarHBondContact O-N 2.63Å
819	V	28.1	Very low	28.8	Very low	124 Å²	124	131.4 Å²	131.4	75%	0.752	72%	0.724	S	S	*	*			trans	-77.7	91.5	177.2	-174.1	0	0	0	0	108.1	A821	V819-A821 PolarHBondContact O-N 2.92Å
820	D	25.6	Very low	28.8	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	73%	0.727	S	S	*	*			trans	-63.8	112.3	164	-87.2	-32.4	0	0	0	108.1	L818 E822	L818-D820 PolarHBondContact O-N 2.63Å; D820-E822 PolarHBondContact O-N 3.31Å
821	A	29	Very low	28.8	Very low	91 Å²	91	130.7 Å²	130.7	75%	0.752	74%	0.741	S	S	*	*			trans	-75.1	111.1	174.1	0	0	0	0	0	109.3	V819	V819-A821 PolarHBondContact O-N 2.92Å
822	E	31	Very low	28.7	Very low	182 Å²	182	135.4 Å²	135.4	85%	0.85	75%	0.754	S	S	*	*			trans	-62.8	128.5	170.4	-68.3	-160	140.2	0	0	110.1	D820 S824	D820-E822 PolarHBondContact O-N 3.31Å; E822-S824 PolarHBondContact O-N 3.39Å
823	P	30.3	Very low	28.2	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	78%	0.775	S	S	*	*			trans	-74.6	111.5	170.7	30.1	-31.1	0	0	0	108.8
824	S	27.3	Very low	28	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	79%	0.788	S	S	*	*			trans	-59.5	137.4	174.9	-48.6	0	0	0	0	111.3	E822 V826	E822-S824 PolarHBondContact O-N 3.39Å; S824-V826 PolarHBondContact O-N 3.48Å
825	D	29.2	Very low	27.6	Very low	169 Å²	169	144 Å²	144	90%	0.904	79%	0.788	S	S	*	*			trans	-58.7	116.5	-179.1	-73.9	-60.4	0	0	0	112.3
826	V	27.7	Very low	27.4	Very low	132 Å²	132	146.3 Å²	146.3	80%	0.8	79%	0.794	S	S	*	*			trans	-94.2	102.8	165.9	178.3	0	0	0	0	108.4	S824 L828	S824-V826 PolarHBondContact O-N 3.48Å; V826-L828 PolarHBondContact O-N 3.36Å
827	L	28	Very low	27.7	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	79%	0.786	S	S	*	*			trans	-58.9	126.5	178	-173.4	74.7	0	0	0	111.6	E829	L827-E829 HydrophobicContact CD2-CG 4.25Å; L827-E829 HydrophobicContact CG-CG 4.26Å
828	L	28.6	Very low	27.5	Very low	164 Å²	164	143.8 Å²	143.8	86%	0.859	79%	0.792	S	S	*	*			trans	-130.2	119	162.5	-74.5	175.3	0	0	0	108.9	V826	V826-L828 PolarHBondContact O-N 3.36Å
829	E	24.5	Very low	27.4	Very low	159 Å²	159	142.7 Å²	142.7	74%	0.743	80%	0.796	S	S	*	*			trans	-88.9	-170.7	-177.5	-63	-171.8	105.2	0	0	113	L827	L827-E829 HydrophobicContact CD2-CG 4.25Å; L827-E829 HydrophobicContact CG-CG 4.26Å
830	I	26.3	Very low	27.2	Very low	157 Å²	157	141.5 Å²	141.5	81%	0.805	79%	0.793	S	S	*	*			trans	89.8	122.4	162.9	-52.7	164.7	0	0	0	115.2
831	P	29.2	Very low	27.4	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	79%	0.792	S	S	*	*			cis	-134.7	-157.1	-23.8	39.1	-18.7	0	0	0	113.1
832	Q	24.9	Very low	27.3	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	79%	0.787	S	S	*	*			trans	-94.9	-176.2	-168.5	-59.1	176.2	-90.3	0	0	115.9
833	E	24.4	Very low	27	Very low	181 Å²	181	139.9 Å²	139.9	85%	0.846	79%	0.787	S	S	*	*			trans	89.5	141.2	162.3	-48	-157.6	147.4	0	0	116.9
834	T	24.5	Very low	27	Very low	107 Å²	107	142.2 Å²	142.2	66%	0.656	79%	0.787	S	S	*	*			cis	-135.9	147.3	16	31.7	0	0	0	0	115.5
835	Q	24.6	Very low	27.1	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	79%	0.788	S	S	*	*			trans	58.8	115.2	138.7	-63.1	172.8	11.5	0	0	122.3
836	S	26	Very low	27.1	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	78%	0.778	S	S	*	*			trans	-81.8	-179.1	145.9	64.6	0	0	0	0	110.1
837	P	37.1	Very low	27.5	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	78%	0.781	S	S	*	*				-157.2	179	71.2	44	-22.5	0	0	0	117.9
838	E	24.8	Very low	27.9	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	76%	0.764	S	S	*	*			trans	64.4	150.1	162.2	-43.9	-158.6	158.7	0	0	119.3
839	S	24.5	Very low	28.6	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	76%	0.755	S	S	*	*			cis	-137.7	164.2	3.6	64.4	0	0	0	0	113.1
840	S	23.3	Very low	29.2	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	75%	0.749	S	S	*	*			trans	-122.7	158.1	167.3	-164	0	0	0	0	107.7	V842	S840-V842 PolarHBondContact OG-N 3.13Å
841	P	31.2	Very low	29.8	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	73%	0.729	S	S	*	*				-145.5	138.3	90.5	36	-19.2	0	0	0	116.2
842	V	25.3	Very low	30.3	Very low	107 Å²	107	126.8 Å²	126.8	65%	0.648	72%	0.719	S	S	*	*			trans	14.5	121	132.3	-173.7	0	0	0	0	118	S840	S840-V842 PolarHBondContact OG-N 3.13Å
843	L	26	Very low	31.1	Very low	161 Å²	161	121.6 Å²	121.6	84%	0.843	70%	0.703	S	S	*	*			trans	-131.8	100.2	137.9	-78.7	179.6	0	0	0	109.1
844	E	28.6	Very low	32.1	Very low	173 Å²	173	117 Å²	117	81%	0.808	68%	0.683	S	S	*	*			trans	-73.9	128.5	161.4	-78.3	-166.1	110.4	0	0	109.6
845	L	30.7	Very low	33.2	Very low	151 Å²	151	116.4 Å²	116.4	79%	0.791	68%	0.676	S	S	*	*			trans	-136	83.3	166.9	-74.8	177.9	0	0	0	110.9
846	S	29.7	Very low	34.1	Very low	98 Å²	98	111.9 Å²	111.9	69%	0.685	66%	0.658	S	S	*	*			trans	44.6	85.8	152.9	-58.4	0	0	0	0	118.8	G848 S849	S846-G848 PolarHBondContact O-N 2.79Å; S846-G848 VanDerWaalsContact O-N 3.13Å; S846-S849 PolarHBondContact O-N 2.97Å
847	L	35.5	Very low	34.9	Very low	166 Å²	166	112.2 Å²	112.2	87%	0.869	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-23.5	165.6	-98.3	157.5	0	0	0	114.7	S849 L850	L847-S849 VanDerWaalsContact C-N 3.29Å; L847-S849 PolarHBondContact O-N 3.49Å; L847-L850 PolarHBondContact O-N 2.9Å
848	G	36.2	Very low	35.1	Very low	36 Å²	36	111.8 Å²	111.8	37%	0.371	64%	0.639	S	S	.	*	H	α-helix	trans	-64.1	-25.3	180	0	0	0	0	0	115.3	S846 L850 S851 D852	S846-G848 PolarHBondContact O-N 2.79Å; S846-G848 VanDerWaalsContact O-N 3.13Å; G848-L850 PolarHBondContact O-N 3.2Å; G848-S851 PolarHBondContact O-N 3.49Å; G848-S851 PolarHBondContact O-OG 3.36Å; G848-D852 PolarHBondContact O-N 2.9Å; G848-D852 VanDerWaalsContact O-N 3.08Å
849	S	43.2	Very low	35.9	Very low	95 Å²	95	111 Å²	111	66%	0.664	63%	0.628	S	S	*	*	H	α-helix	trans	-65.3	-27	-177.4	-169.2	0	0	0	0	113	S846 L847 S853	S846-S849 PolarHBondContact O-N 2.97Å; L847-S849 VanDerWaalsContact C-N 3.29Å; L847-S849 PolarHBondContact O-N 3.49Å; S849-S853 VanDerWaalsContact O-CB 3.28Å; S849-S853 WeakPolarHBondContact O-CB 3.46Å; S849-S853 PolarHBondContact O-N 3.24Å
850	L	38.1	Very low	36.7	Very low	118 Å²	118	111.9 Å²	111.9	62%	0.618	62%	0.617	S	S	*	*	H	α-helix	trans	-86.8	-37.7	179.2	-163.9	67.3	0	0	0	112.5	L847 G848 D852 S853 I854	L847-L850 PolarHBondContact O-N 2.9Å; G848-L850 PolarHBondContact O-N 3.2Å; L850-D852 VanDerWaalsContact C-N 3.33Å; L850-D852 PolarHBondContact O-N 2.86Å; L850-S853 PolarHBondContact O-N 3.34Å; L850-I854 HydrophobicContact CD2-CD1 4.49Å; L850-I854 HydrophobicContact CG-CD1 3.97Å; L850-I854 WeakPolarHBondContact O-CB 3.4Å; L850-I854 VanDerWaalsContact O-CG1 3.28Å; L850-I854 WeakPolarHBondContact O-CG1 3.34Å; L850-I854 PolarHBondContact O-N 2.98Å
851	S	38.7	Very low	37.5	Very low	55 Å²	55	111.3 Å²	111.3	39%	0.385	61%	0.606	S	S	.	*	H	α-helix	trans	-62.1	-42.6	173.6	53.5	0	0	0	0	111.4	G848 I854 N855	G848-S851 PolarHBondContact O-N 3.49Å; G848-S851 PolarHBondContact O-OG 3.36Å; S851-I854 PolarHBondContact O-N 3.06Å; S851-N855 VanDerWaalsContact O-CB 3.27Å; S851-N855 WeakPolarHBondContact O-CB 3.26Å; S851-N855 PolarHBondContact O-N 3.22Å; S851-N855 PolarHBondContact O-ND2 2.91Å; S851-N855 VanDerWaalsContact O-ND2 3.17Å
852	D	39.3	Very low	38	Very low	109 Å²	109	109.6 Å²	109.6	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-71.5	-35.7	-179.2	-67.7	-4.5	0	0	0	111.4	G848 L850 N856	G848-D852 PolarHBondContact O-N 2.9Å; G848-D852 VanDerWaalsContact O-N 3.08Å; L850-D852 VanDerWaalsContact C-N 3.33Å; L850-D852 PolarHBondContact O-N 2.86Å; D852-N856 WeakPolarHBondContact O-CB 3.13Å; D852-N856 PolarHBondContact O-N 3.48Å
853	S	41.7	Very low	38.8	Very low	73 Å²	73	111.8 Å²	111.8	51%	0.51	61%	0.605	S	S	.	*	H	α-helix	trans	-62	-48.8	171.7	-173.4	0	0	0	0	111.8	S849 L850 N856 Q857	S849-S853 VanDerWaalsContact O-CB 3.28Å; S849-S853 WeakPolarHBondContact O-CB 3.46Å; S849-S853 PolarHBondContact O-N 3.24Å; L850-S853 PolarHBondContact O-N 3.34Å; S853-N856 PolarHBondContact O-N 3.04Å; S853-Q857 PolarHBondContact O-N 3.12Å
854	I	45.2	Very low	39.6	Very low	86 Å²	86	107.6 Å²	107.6	44%	0.441	59%	0.59	S	S	.	*	H	α-helix	trans	-64.7	-45.2	179.1	-69.9	168.5	0	0	0	111.2	L850 S851 N856 Q857 L858	L850-I854 HydrophobicContact CD2-CD1 4.49Å; L850-I854 HydrophobicContact CG-CD1 3.97Å; L850-I854 WeakPolarHBondContact O-CB 3.4Å; L850-I854 VanDerWaalsContact O-CG1 3.28Å; L850-I854 WeakPolarHBondContact O-CG1 3.34Å; L850-I854 PolarHBondContact O-N 2.98Å; S851-I854 PolarHBondContact O-N 3.06Å; I854-N856 VanDerWaalsContact C-N 3.3Å; I854-N856 PolarHBondContact O-N 3.09Å; I854-Q857 WeakPolarHBondContact O-CB 3.48Å; I854-Q857 PolarHBondContact O-N 3.16Å; I854-Q857 VanDerWaalsContact O-N 3.13Å; I854-L858 HydrophobicContact CG2-CD1 3.86Å; I854-L858 HydrophobicContact CG2-CG 4.34Å; I854-L858 WeakPolarHBondContact O-CG 3.41Å; I854-L858 PolarHBondContact O-N 3.29Å
855	N	47.5	Very low	40	Very low	93 Å²	93	110.4 Å²	110.4	50%	0.497	59%	0.593	S	S	.	*	H	α-helix	trans	-65.2	-32	178.6	-73.3	-28.7	0	0	0	112.7	S851 R859	S851-N855 VanDerWaalsContact O-CB 3.27Å; S851-N855 WeakPolarHBondContact O-CB 3.26Å; S851-N855 PolarHBondContact O-N 3.22Å; S851-N855 PolarHBondContact O-ND2 2.91Å; S851-N855 VanDerWaalsContact O-ND2 3.17Å; N855-R859 WeakPolarHBondContact O-CB 3.35Å; N855-R859 PolarHBondContact O-N 3.35Å
856	N	44.1	Very low	40	Very low	92 Å²	92	110.4 Å²	110.4	49%	0.492	59%	0.594	S	S	.	*	H	α-helix	trans	-76.5	-27.8	174.4	-159.7	-17.6	0	0	0	112	D852 S853 I854 K860	D852-N856 WeakPolarHBondContact O-CB 3.13Å; D852-N856 PolarHBondContact O-N 3.48Å; S853-N856 PolarHBondContact O-N 3.04Å; I854-N856 VanDerWaalsContact C-N 3.3Å; I854-N856 PolarHBondContact O-N 3.09Å; N856-K860 WeakPolarHBondContact O-CG 3.35Å; N856-K860 PolarHBondContact O-N 2.99Å
857	Q	42.2	Very low	40	Very low	115 Å²	115	110.4 Å²	110.4	54%	0.537	60%	0.599	S	S	.	*	H	α-helix	trans	-68.5	-49.8	168.4	-128	-85.9	-5.9	0	0	110.9	S853 I854 R859 K860 N861	S853-Q857 PolarHBondContact O-N 3.12Å; I854-Q857 WeakPolarHBondContact O-CB 3.48Å; I854-Q857 PolarHBondContact O-N 3.16Å; I854-Q857 VanDerWaalsContact O-N 3.13Å; Q857-R859 PolarHBondContact O-N 3.07Å; Q857-K860 PolarHBondContact O-N 3.41Å; Q857-N861 VanDerWaalsContact O-CG 3.26Å; Q857-N861 PolarHBondContact O-N 2.7Å; Q857-N861 VanDerWaalsContact O-N 3.13Å; Q857-N861 PolarHBondContact O-ND2 2.92Å; Q857-N861 PolarHBondContact O-OD1 2.96Å; Q857-N861 PolarHBondContact OE1-ND2 3.19Å
858	L	42.3	Very low	39.6	Very low	99 Å²	99	105.8 Å²	105.8	52%	0.518	59%	0.592	S	S	.	*	H	α-helix	trans	-62.1	-40.2	177.9	-70.4	170.8	0	0	0	112.4	I854 K860 N861 A862	I854-L858 HydrophobicContact CG2-CD1 3.86Å; I854-L858 HydrophobicContact CG2-CG 4.34Å; I854-L858 WeakPolarHBondContact O-CG 3.41Å; I854-L858 PolarHBondContact O-N 3.29Å; L858-K860 PolarHBondContact O-N 2.96Å; L858-N861 PolarHBondContact O-N 2.62Å; L858-A862 WeakPolarHBondContact O-CB 3.44Å; L858-A862 PolarHBondContact O-N 3.17Å
859	R	41.3	Very low	39.2	Very low	170 Å²	170	110.9 Å²	110.9	64%	0.642	61%	0.611	S	S	*	*	H	α-helix	trans	-60.3	-43.6	174.4	-173.6	176.9	-64.9	-151.3	-0.5	112.1	N855 Q857 N861 A862 E863	N855-R859 WeakPolarHBondContact O-CB 3.35Å; N855-R859 PolarHBondContact O-N 3.35Å; Q857-R859 PolarHBondContact O-N 3.07Å; R859-N861 VanDerWaalsContact C-N 3.29Å; R859-N861 PolarHBondContact O-N 2.65Å; R859-A862 PolarHBondContact O-N 3.14Å; R859-E863 PolarHBondContact O-N 2.7Å; R859-E863 VanDerWaalsContact O-N 3.1Å
860	K	40.8	Very low	38.5	Very low	134 Å²	134	113.2 Å²	113.2	58%	0.583	61%	0.611	S	S	*	*	H	α-helix	trans	-63.7	-33.1	177	-74.7	172.9	-178	178.4	0	113.2	N856 Q857 L858	N856-K860 WeakPolarHBondContact O-CG 3.35Å; N856-K860 PolarHBondContact O-N 2.99Å; Q857-K860 PolarHBondContact O-N 3.41Å; L858-K860 PolarHBondContact O-N 2.96Å
861	N	39.5	Very low	37.9	Very low	87 Å²	87	116.4 Å²	116.4	47%	0.465	62%	0.616	S	S	.	*	H	α-helix	trans	-77.7	-28.7	176.7	-56.9	-20.8	0	0	0	111.9	Q857 L858 R859 S864	Q857-N861 VanDerWaalsContact O-CG 3.26Å; Q857-N861 PolarHBondContact O-N 2.7Å; Q857-N861 VanDerWaalsContact O-N 3.13Å; Q857-N861 PolarHBondContact O-ND2 2.92Å; Q857-N861 PolarHBondContact O-OD1 2.96Å; Q857-N861 PolarHBondContact OE1-ND2 3.19Å; L858-N861 PolarHBondContact O-N 2.62Å; R859-N861 VanDerWaalsContact C-N 3.29Å; R859-N861 PolarHBondContact O-N 2.65Å; N861-S864 PolarHBondContact O-N 3.31Å; N861-S864 PolarHBondContact O-OG 3.45Å
862	A	43	Very low	37.1	Very low	84 Å²	84	122.1 Å²	122.1	69%	0.694	63%	0.634	S	S	*	*	H	α-helix	trans	-75.4	-25.4	175.5	0	0	0	0	0	113.4	L858 R859 S864	L858-A862 WeakPolarHBondContact O-CB 3.44Å; L858-A862 PolarHBondContact O-N 3.17Å; R859-A862 PolarHBondContact O-N 3.14Å; A862-S864 VanDerWaalsContact C-N 3.26Å; A862-S864 PolarHBondContact O-N 3.43Å
863	E	41.9	Very low	36.2	Very low	152 Å²	152	126.9 Å²	126.9	71%	0.71	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-4.7	173.1	-71.3	169.7	-171.2	0	0	112.9	R859	R859-E863 PolarHBondContact O-N 2.7Å; R859-E863 VanDerWaalsContact O-N 3.1Å
864	S	41.9	Very low	35.7	Very low	74 Å²	74	134.5 Å²	134.5	52%	0.517	68%	0.678	S	S	.	*	S	Bend	trans	-112.9	79.2	-175.5	64.6	0	0	0	0	114.2	N861 A862	N861-S864 PolarHBondContact O-N 3.31Å; N861-S864 PolarHBondContact O-OG 3.45Å; A862-S864 VanDerWaalsContact C-N 3.26Å; A862-S864 PolarHBondContact O-N 3.43Å
865	R	37.3	Very low	35.2	Very low	232 Å²	232	136.9 Å²	136.9	88%	0.875	69%	0.69	S	S	*	*			trans	74	112.2	172.9	-63.5	174.3	167.3	157.1	-5.1	115.3
866	D	30.2	Very low	34.6	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	70%	0.7	S	S	*	*				67	79.4	53.5	-157.2	41.5	0	0	0	109.5
867	A	29.2	Very low	34	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	71%	0.712	S	S	*	*				93.4	134.2	63.3	0	0	0	0	0	112.1
868	G	27.3	Very low	33.6	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	72%	0.722	S	S	*	*			trans	162.5	62.2	-168.9	0	0	0	0	0	115
869	D	29.1	Very low	33	Very low	143 Å²	143	146.2 Å²	146.2	77%	0.765	73%	0.734	S	S	*	*			trans	52.9	95.5	148	-56.9	-17.2	0	0	0	122.5
870	H	27.3	Very low	32.5	Very low	143 Å²	143	144.6 Å²	144.6	66%	0.662	74%	0.741	S	S	*	*				70.3	125.4	108	-78	-60.1	0	0	0	125
871	Y	25.2	Very low	31.9	Very low	186 Å²	186	145.4 Å²	145.4	73%	0.729	75%	0.752	S	S	*	*			trans	71.3	101.7	141.1	-64.9	-55.2	0	0	0	123.7
872	F	22.5	Very low	31.3	Very low	175 Å²	175	149.8 Å²	149.8	77%	0.768	77%	0.774	S	S	*	*				62.9	151.6	117.7	-92.3	-102.2	0	0	0	124
873	Y	21.3	Very low	30.3	Very low	208 Å²	208	155.3 Å²	155.3	82%	0.816	78%	0.781	S	S	*	*			trans	68.4	145.9	179.6	-62.2	-78.7	0	0	0	115.4
874	I	30.5	Very low	29.2	Very low	233 Å²	233	155.6 Å²	155.6	100%	1.195	79%	0.787	S	S	*	*			cis	-106	0	6.5	-66.2	170.4	0	0	0	111.1

Retrieved 874 of 874 residues in 257.3 ms (Link to these results)

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