A0A087XVY2_POEFO Loading...

Structural maintenance of chromosomes protein

AlphaFold DB (A0A3B3USX6), UniProt , Accession A0A087XVY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,231 aa.

						>A0A087XVY2_POEFO|A0A087XVY2
MGYLKLIEIENFKSYKGRQIIGPFHKFTAIIGPNGSGKSNLMDAISFVLAEKTSNLRVKTLKDLIHGAPVGKPAANRAFVSMVYQEDNGEERSFTRVIIGASSEYRINNKVVGLPEYSEELEKLGILIKARNFLVFQGAVESIAMKNPKERTALFEEISRSGELAQEYDRRKKEMVKAEEDTQFNYHRKKNIAAERKEAKQEKEEAERYQRLKDEVARASVQLQLFKLYHNEVEIEKLNKELGQRNKEIDKDRKKMDHVEEELKDKKKELGRLMREQQTIEKEIKEKDSELNQKRPQYIKAKENTAHKIKKLEAAKKSHQNAQKMYKKRKADMDELDKEMRAVELAKQEFEERMEEEAQSQGQDLTLEENQVKQYHRLKEEASKRAATLAQELEKFNRDQKADQDRLDLEERKKVETEAKIKQKIREIEENQKRIEKLEDYIATSRQSLDEQKRMEEELTEEVEMAKRRIDEINMELNQVMEQLGDARIDRQENSRQQRKAEIMESIKRLYPGSVYGRLIDLCQPTQKKYQIAVTKVLGKNMDAIIVDSEKTGRDCIQYIKEQRGEPETFLPLDYLEVKPTDEKLRELRGAKLVIDVIRYEPPHIKKALQYACGNALVCENVEDARRIAFGGPYRHKTVALDGTLFQKSGVISGGASDLKAKARRWDEKAVDKLKEKKEKLTEELKEQMKAKRKEAELRQVQSQAHGLQMRLKYSQSDLEQTKTRHLSLNMQEKSKLESELANFGPRINDIKRIIQSREREITDLRDRMNLVEDEVFVEFCKEIGVRNIREFEEEKVKRQNEIAKKRLEFETQKTRLGIQVDYEKNQLKEDQEKVMMWEQTVKKDEAEIERLKKEEHRHMKIIDETMAQLQDLKNQHLTKKSEVNDKNHEMEEIRKKLGGANKELTQLQKEVTAIETKLEQKRSDRHNLLQACKMQDIRLPLRSGTMDDISQGEGSSQTDDSSSQRTSSSVLAKEALIEIDYSNLSEDLKDALSEEEIKAETNTLQQRLNEQQSILQRISAPNMKAMEKLESVRDKFQETSDEFEAARKRAKKAKQAFEQIKKERFDRFNTCFESVATNIDEIYKALSRNSSAQAFLGPENPEEPYLDGINYNCVAPGKRFRPMDNLSGGEKTVAALALLFAIHSYKPAPFFVLDEIDAALDNTNIGKVANYIKDQSVQNFQAIVISLKEEFYTKADSLIGVYPEQGDCVISKVLTFDLSQYPDANPNPNE
					

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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	70.1	Confident	90	Very high	121 Å²	121	36.1 Å²	36.1	60%	0.596	17%	0.168	S	C	*	.				0	126.7	0	-154.8	162.9	-169.2	0	0	106.9	D87 N1180	M1-D87 WeakPolarHBondContact CA-OD1 3.46Å; M1-D87 PolarHBondContact N-OD1 3.38Å; M1-N1180 WeakPolarHBondContact CE-O 3.45Å
2	G	82.3	Confident	90.2	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	15%	0.154	C	C	.	.			trans	-62.9	149.4	175.3	0	0	0	0	0	111	Y84 Q85 D87	G2-Y84 VanDerWaalsContact C-OH 3.31Å; G2-Y84 VanDerWaalsContact CA-OH 3.27Å; G2-Y84 WeakPolarHBondContact CA-OH 3.02Å; G2-Q85 CarbonylContact C-O 3.59Å; G2-Q85 WeakPolarHBondContact CA-O 3.24Å; G2-D87 PolarHBondContact N-OD1 3.47Å
3	Y	89.1	Confident	90.3	Very high	78 Å²	78	32.7 Å²	32.7	31%	0.306	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.4	-173	67.2	-82.2	0	0	0	111.5	K5 Y84 Q85	Y3-K5 HydrophobicContact CE2-CB 4.28Å; Y3-K5 PolarHBondContact O-N 3.1Å; Y3-Y84 WeakPolarHBondContact O-CD2 3.49Å; Y3-Q85 HydrophobicContact CD1-CB 4.36Å; Y3-Q85 HydrophobicContact CE1-CB 4.02Å; Y3-Q85 HydrophobicContact CE1-CG 4.13Å; Y3-Q85 PolarHBondContact N-O 2.92Å; Y3-Q85 PolarHBondContact O-N 2.86Å; Y3-Q85 PolarHBondContact OH-OE1 3.17Å
4	L	91.9	Very high	90.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	118.7	170.6	178.2	59.9	0	0	0	108.6	I7 F24 M82 F1151 Q1182 I1184	L4-I7 HydrophobicContact CD1-CG1 4.31Å; L4-I7 HydrophobicContact CD2-CD1 4.09Å; L4-I7 HydrophobicContact CD2-CG1 4.15Å; L4-F24 HydrophobicContact CD2-CD2 4.19Å; L4-F24 HydrophobicContact CD2-CE2 4.18Å; L4-F24 HydrophobicContact CG-CD2 4.05Å; L4-F24 HydrophobicContact CG-CE2 4.39Å; L4-F24 WeakPolarHBondContact O-CB 3.45Å; L4-M82 HydrophobicContact CD1-CB 4.49Å; L4-M82 HydrophobicContact CD1-CG 3.22Å; L4-M82 HydrophobicContact CD1-SD 4.01Å; L4-F1151 HydrophobicContact CB-CD1 4.02Å; L4-F1151 HydrophobicContact CB-CE1 4.4Å; L4-F1151 HydrophobicContact CB-CG 4.28Å; L4-Q1182 VanDerWaalsContact CB-OE1 3.32Å; L4-Q1182 PolarHBondContact O-NE2 3.46Å; L4-I1184 HydrophobicContact CD2-CD1 3.71Å
5	K	91.6	Very high	90.3	Very high	62 Å²	62	28.9 Å²	28.9	27%	0.27	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-53.3	-178.2	-177.3	175.4	-178.1	166.6	0	111.7	Y3 P23 F24 V83 E91	Y3-K5 HydrophobicContact CE2-CB 4.28Å; Y3-K5 PolarHBondContact O-N 3.1Å; K5-P23 WeakPolarHBondContact O-CA 3.47Å; K5-F24 PolarHBondContact O-N 3.21Å; K5-V83 WeakPolarHBondContact CB-O 3.38Å; K5-V83 PolarHBondContact N-O 2.63Å; K5-E91 IonicContact NZ-OE1 2.73Å; K5-E91 PolarHBondContact NZ-OE1 3.39Å
6	L	93.8	Very high	90.2	Very high	35 Å²	35	33.6 Å²	33.6	18%	0.183	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.3	-180	63.1	82.6	0	0	0	111.5	E8 I20 I21 V83	L6-E8 HydrophobicContact CD1-CG 3.59Å; L6-I20 HydrophobicContact CD1-CG2 4.39Å; L6-I20 HydrophobicContact CD2-CG2 4.37Å; L6-I21 WeakPolarHBondContact CA-O 3.41Å; L6-I21 WeakPolarHBondContact CB-O 3.26Å; L6-V83 HydrophobicContact CD1-CB 3.92Å; L6-V83 HydrophobicContact CD1-CG2 3.57Å; L6-V83 HydrophobicContact CG-CB 4.04Å; L6-V83 HydrophobicContact CG-CG2 4.23Å; L6-V83 PolarHBondContact O-N 2.87Å
7	I	94.8	Very high	90.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.8	172.5	-59.2	168.7	0	0	0	108.5	L4 I9 I21 F24 L41 I45 V80 S81	L4-I7 HydrophobicContact CD1-CG1 4.31Å; L4-I7 HydrophobicContact CD2-CD1 4.09Å; L4-I7 HydrophobicContact CD2-CG1 4.15Å; I7-I9 HydrophobicContact CG2-CD1 4.08Å; I7-I9 HydrophobicContact CG2-CG1 3.69Å; I7-I21 HydrophobicContact CB-CB 4.45Å; I7-I21 PolarHBondContact N-O 3.06Å; I7-I21 PolarHBondContact O-N 3.13Å; I7-F24 HydrophobicContact CB-CE2 4.47Å; I7-F24 HydrophobicContact CD1-CE2 3.95Å; I7-F24 HydrophobicContact CD1-CZ 3.86Å; I7-F24 HydrophobicContact CG1-CE2 3.87Å; I7-F24 HydrophobicContact CG1-CZ 4.3Å; I7-L41 HydrophobicContact CD1-CD1 4.18Å; I7-I45 HydrophobicContact CD1-CD1 3.78Å; I7-I45 HydrophobicContact CD1-CG1 3.32Å; I7-V80 HydrophobicContact CG2-CG1 3.81Å; I7-S81 CarbonylContact C-O 3.28Å; I7-S81 WeakPolarHBondContact CA-O 3.1Å
8	E	94.9	Very high	90.3	Very high	40 Å²	40	39.4 Å²	39.4	19%	0.187	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.4	169.6	-52.9	-167.3	166.6	0	0	110.2	L6 R18 I20 F79 V80 S81	L6-E8 HydrophobicContact CD1-CG 3.59Å; E8-R18 VanDerWaalsContact CD-NH2 3.34Å; E8-R18 IonicContact OE1-NH2 3.57Å; E8-R18 PolarHBondContact OE1-NH2 3.09Å; E8-R18 IonicContact OE2-CZ 3.55Å; E8-R18 IonicContact OE2-NE 2.79Å; E8-R18 IonicContact OE2-NH2 2.84Å; E8-R18 PolarHBondContact OE2-NH2 2.98Å; E8-I20 HydrophobicContact CG-CG1 4.48Å; E8-F79 HydrophobicContact CB-CE2 4.49Å; E8-V80 CarbonylContact O-C 3.41Å; E8-V80 WeakPolarHBondContact O-CA 3.5Å; E8-S81 PolarHBondContact N-O 2.83Å; E8-S81 PolarHBondContact O-N 2.74Å
9	I	95.1	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.3	-177.8	-56.1	-172.5	0	0	0	108.8	I7 F12 Y15 R18 Q19 I21 L41 A44 V80	I7-I9 HydrophobicContact CG2-CD1 4.08Å; I7-I9 HydrophobicContact CG2-CG1 3.69Å; I9-F12 HydrophobicContact CG2-CB 3.38Å; I9-F12 HydrophobicContact CG2-CD1 4.49Å; I9-F12 HydrophobicContact CG2-CG 4.21Å; I9-Y15 HydrophobicContact CD1-CD2 4.25Å; I9-Y15 HydrophobicContact CD1-CE2 4.32Å; I9-Y15 HydrophobicContact CG2-CD2 4.28Å; I9-Y15 HydrophobicContact CG2-CG 4.33Å; I9-R18 CarbonylContact O-C 3.55Å; I9-R18 WeakPolarHBondContact O-CA 3.45Å; I9-Q19 PolarHBondContact N-O 2.85Å; I9-Q19 PolarHBondContact O-N 2.84Å; I9-I21 HydrophobicContact CD1-CD1 3.56Å; I9-I21 HydrophobicContact CG1-CD1 4.28Å; I9-L41 HydrophobicContact CD1-CD1 4.04Å; I9-A44 HydrophobicContact CD1-CB 3.55Å; I9-A44 HydrophobicContact CG1-CB 4.45Å; I9-V80 HydrophobicContact CG1-CG1 4.28Å; I9-V80 HydrophobicContact CG2-CG2 4.41Å
10	E	93.9	Very high	90.4	Very high	37 Å²	37	41.7 Å²	41.7	17%	0.173	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124	171.5	-171.4	-179.3	-134.5	0	0	111.3	F12 G17 R77 A78 F79	E10-F12 VanDerWaalsContact C-N 3.29Å; E10-F12 PolarHBondContact O-N 3.2Å; E10-G17 WeakPolarHBondContact CA-O 3.42Å; E10-R77 IonicContact OE2-NE 2.62Å; E10-R77 IonicContact OE2-NH2 2.78Å; E10-A78 VanDerWaalsContact O-CA 3.29Å; E10-A78 WeakPolarHBondContact O-CA 3.15Å; E10-A78 WeakPolarHBondContact O-CB 3.48Å; E10-F79 HydrophobicContact CB-CD1 3.61Å; E10-F79 HydrophobicContact CB-CE1 3.35Å; E10-F79 HydrophobicContact CB-CE2 4.44Å; E10-F79 HydrophobicContact CB-CG 4.28Å; E10-F79 HydrophobicContact CB-CZ 3.8Å; E10-F79 HydrophobicContact CG-CD1 4.43Å; E10-F79 HydrophobicContact CG-CE1 4.08Å; E10-F79 PolarHBondContact N-O 2.72Å; E10-F79 PolarHBondContact O-N 2.8Å; E10-F79 VanDerWaalsContact O-N 3.11Å; E10-F79 WeakPolarHBondContact OE2-CD1 3.4Å; E10-F79 WeakPolarHBondContact OE2-CE1 2.89Å
11	N	92.6	Very high	90.5	Very high	21 Å²	21	39.7 Å²	39.7	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.4	37.2	173	-62.3	-39.8	0	0	0	114.9	Y15 G17 H66 A75 A78	N11-Y15 CarbonylContact C-O 3.52Å; N11-Y15 WeakPolarHBondContact CA-O 3.4Å; N11-Y15 PolarHBondContact N-O 2.84Å; N11-G17 PolarHBondContact N-O 3.44Å; N11-G17 WeakPolarHBondContact OD1-CA 3.39Å; N11-G17 PolarHBondContact OD1-N 2.98Å; N11-H66 PolarHBondContact O-N 3.33Å; N11-A75 HydrophobicContact CB-CB 4.39Å; N11-A78 HydrophobicContact CB-CB 4.38Å; N11-A78 VanDerWaalsContact O-CB 3.24Å; N11-A78 WeakPolarHBondContact O-CB 3.14Å
12	F	92.4	Very high	91.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.4	-175.5	-172.9	-92	0	0	0	111.8	I9 E10 S14 Y15 D43 A44 F47 L64 V80 I98	I9-F12 HydrophobicContact CG2-CB 3.38Å; I9-F12 HydrophobicContact CG2-CD1 4.49Å; I9-F12 HydrophobicContact CG2-CG 4.21Å; E10-F12 VanDerWaalsContact C-N 3.29Å; E10-F12 PolarHBondContact O-N 3.2Å; F12-S14 PolarHBondContact O-N 3.29Å; F12-Y15 PolarHBondContact N-O 2.88Å; F12-Y15 WeakPolarHBondContact O-CA 3.42Å; F12-Y15 WeakPolarHBondContact O-CB 3.42Å; F12-Y15 PolarHBondContact O-N 3.07Å; F12-D43 HydrophobicContact CE1-CB 4.32Å; F12-A44 HydrophobicContact CD1-CB 4.02Å; F12-A44 HydrophobicContact CE1-CB 3.71Å; F12-A44 HydrophobicContact CZ-CB 4.31Å; F12-F47 HydrophobicContact CE2-CB 4.16Å; F12-F47 AromaticContact CE2-CD1 3.75Å; F12-F47 HydrophobicContact CE2-CD1 3.75Å; F12-F47 HydrophobicContact CE2-CE1 4.29Å; F12-F47 AromaticContact CE2-CG 3.89Å; F12-F47 HydrophobicContact CE2-CG 3.89Å; F12-F47 HydrophobicContact CZ-CB 4Å; F12-F47 HydrophobicContact CZ-CD1 4.41Å; F12-F47 HydrophobicContact CZ-CG 4.24Å; F12-L64 CarbonylContact C-O 3.54Å; F12-L64 WeakPolarHBondContact CA-O 3.33Å; F12-L64 HydrophobicContact CD2-CB 4.24Å; F12-L64 HydrophobicContact CE2-CB 3.87Å; F12-L64 HydrophobicContact CE2-CD1 4.1Å; F12-L64 HydrophobicContact CE2-CD2 4.08Å; F12-L64 HydrophobicContact CE2-CG 4.25Å; F12-L64 HydrophobicContact CZ-CB 4.45Å; F12-L64 HydrophobicContact CZ-CD1 4.48Å; F12-L64 HydrophobicContact CZ-CD2 3.84Å; F12-L64 HydrophobicContact CZ-CG 4.5Å; F12-V80 HydrophobicContact CB-CG2 4.44Å; F12-V80 HydrophobicContact CD1-CG2 4.41Å; F12-V80 HydrophobicContact CD2-CG2 3.7Å; F12-V80 HydrophobicContact CE2-CG2 3.93Å; F12-V80 HydrophobicContact CG-CG2 3.95Å; F12-V80 HydrophobicContact CZ-CG2 4.38Å; F12-I98 HydrophobicContact CE2-CD1 4.46Å
13	K	91.1	Very high	91.7	Very high	28 Å²	28	37.9 Å²	37.9	12%	0.122	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-104.6	-179.5	-68.8	-164.2	176	-163.7	0	113.8	N40 D43 L64 H66	K13-N40 HydrophobicContact CB-CB 4.17Å; K13-N40 HydrophobicContact CD-CB 4.04Å; K13-N40 VanDerWaalsContact CD-OD1 3.22Å; K13-N40 WeakPolarHBondContact CD-OD1 3.15Å; K13-D43 HydrophobicContact CD-CB 4.31Å; K13-D43 IonicContact NZ-OD1 3.64Å; K13-D43 PolarHBondContact NZ-OD1 2.88Å; K13-D43 IonicContact NZ-OD2 2.78Å; K13-D43 PolarHBondContact NZ-OD2 3.42Å; K13-L64 HydrophobicContact CD-CD2 4.3Å; K13-L64 HydrophobicContact CG-CD2 4.13Å; K13-L64 PolarHBondContact N-O 2.56Å; K13-H66 VanDerWaalsContact O-CA 3.23Å; K13-H66 WeakPolarHBondContact O-CA 3.43Å; K13-H66 WeakPolarHBondContact O-CB 3.23Å; K13-H66 PolarHBondContact O-ND1 3.33Å
14	S	89.4	Confident	91.9	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.9	177.8	58.2	0	0	0	0	113.2	F12 K16 N40 I1211 S1212	F12-S14 PolarHBondContact O-N 3.29Å; S14-K16 PolarHBondContact O-N 3.22Å; S14-N40 WeakPolarHBondContact CB-ND2 3.49Å; S14-N40 PolarHBondContact OG-ND2 3.47Å; S14-I1211 CarbonylContact O-C 3.58Å; S14-I1211 WeakPolarHBondContact O-CA 3.41Å; S14-S1212 VanDerWaalsContact CB-OG 3.25Å; S14-S1212 WeakPolarHBondContact CB-OG 3.35Å; S14-S1212 PolarHBondContact O-N 3.17Å; S14-S1212 WeakPolarHBondContact OG-CB 3.5Å; S14-S1212 PolarHBondContact OG-OG 3.16Å
15	Y	91.1	Very high	91.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	103.4	178.8	-60.2	-76.2	0	0	0	110.5	I9 N11 F12 Q19 I21 G37 N40 S1212 V1214	I9-Y15 HydrophobicContact CD1-CD2 4.25Å; I9-Y15 HydrophobicContact CD1-CE2 4.32Å; I9-Y15 HydrophobicContact CG2-CD2 4.28Å; I9-Y15 HydrophobicContact CG2-CG 4.33Å; N11-Y15 CarbonylContact C-O 3.52Å; N11-Y15 WeakPolarHBondContact CA-O 3.4Å; N11-Y15 PolarHBondContact N-O 2.84Å; F12-Y15 PolarHBondContact N-O 2.88Å; F12-Y15 WeakPolarHBondContact O-CA 3.42Å; F12-Y15 WeakPolarHBondContact O-CB 3.42Å; F12-Y15 PolarHBondContact O-N 3.07Å; Y15-Q19 HydrophobicContact CD1-CB 4.48Å; Y15-Q19 HydrophobicContact CD1-CG 4.17Å; Y15-I21 HydrophobicContact CE1-CD1 4.14Å; Y15-G37 PolarHBondContact OH-O 3.19Å; Y15-N40 HydrophobicContact CE2-CB 3.99Å; Y15-S1212 WeakPolarHBondContact CD1-O 3.46Å; Y15-V1214 HydrophobicContact CE1-CG2 3.87Å
16	K	89.3	Confident	91.6	Very high	104 Å²	104	39.6 Å²	39.6	45%	0.452	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.2	175.2	-169.3	178.2	178.8	-179.5	0	110.9	S14 Q19 I1211	S14-K16 PolarHBondContact O-N 3.22Å; K16-Q19 PolarHBondContact O-NE2 3.02Å; K16-I1211 HydrophobicContact CB-CD1 4.43Å; K16-I1211 HydrophobicContact CB-CG1 4.17Å; K16-I1211 HydrophobicContact CB-CG2 4.06Å; K16-I1211 HydrophobicContact CD-CD1 3.75Å; K16-I1211 HydrophobicContact CD-CG1 4.24Å
17	G	89.5	Confident	91.5	Very high	26 Å²	26	37.9 Å²	37.9	27%	0.268	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67	-166.6	-176.3	0	0	0	0	0	112.3	E10 N11	E10-G17 WeakPolarHBondContact CA-O 3.42Å; N11-G17 PolarHBondContact N-O 3.44Å; N11-G17 WeakPolarHBondContact OD1-CA 3.39Å; N11-G17 PolarHBondContact OD1-N 2.98Å
18	R	91.8	Very high	91.3	Very high	146 Å²	146	37.9 Å²	37.9	55%	0.551	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.1	177	-168.6	175.4	-178	-169.6	-1.2	110.2	E8 I9	E8-R18 VanDerWaalsContact CD-NH2 3.34Å; E8-R18 IonicContact OE1-NH2 3.57Å; E8-R18 PolarHBondContact OE1-NH2 3.09Å; E8-R18 IonicContact OE2-CZ 3.55Å; E8-R18 IonicContact OE2-NE 2.79Å; E8-R18 IonicContact OE2-NH2 2.84Å; E8-R18 PolarHBondContact OE2-NH2 2.98Å; I9-R18 CarbonylContact O-C 3.55Å; I9-R18 WeakPolarHBondContact O-CA 3.45Å
19	Q	91.1	Very high	91.2	Very high	29 Å²	29	36 Å²	36	14%	0.136	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.4	175.3	-57.9	-55.6	-37.1	0	0	109.1	I9 Y15 K16	I9-Q19 PolarHBondContact N-O 2.85Å; I9-Q19 PolarHBondContact O-N 2.84Å; Y15-Q19 HydrophobicContact CD1-CB 4.48Å; Y15-Q19 HydrophobicContact CD1-CG 4.17Å; K16-Q19 PolarHBondContact O-NE2 3.02Å
20	I	92.6	Very high	91	Very high	96 Å²	96	36 Å²	36	49%	0.492	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.7	176.3	-58.4	175.4	0	0	0	107.2	L6 E8	L6-I20 HydrophobicContact CD1-CG2 4.39Å; L6-I20 HydrophobicContact CD2-CG2 4.37Å; E8-I20 HydrophobicContact CG-CG1 4.48Å
21	I	92.4	Very high	90.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.3	-175.4	-55.4	-177.4	0	0	0	108.1	L6 I7 I9 Y15 F24 L41 I1200 V1214	L6-I21 WeakPolarHBondContact CA-O 3.41Å; L6-I21 WeakPolarHBondContact CB-O 3.26Å; I7-I21 HydrophobicContact CB-CB 4.45Å; I7-I21 PolarHBondContact N-O 3.06Å; I7-I21 PolarHBondContact O-N 3.13Å; I9-I21 HydrophobicContact CD1-CD1 3.56Å; I9-I21 HydrophobicContact CG1-CD1 4.28Å; Y15-I21 HydrophobicContact CE1-CD1 4.14Å; I21-F24 HydrophobicContact CG2-CE2 4.36Å; I21-F24 HydrophobicContact CG2-CZ 3.91Å; I21-F24 VanDerWaalsContact O-CE2 3.28Å; I21-F24 WeakPolarHBondContact O-CE2 3.46Å; I21-L41 HydrophobicContact CD1-CD1 3.43Å; I21-L41 VanDerWaalsContact CD1-CD1 3.43Å; I21-L41 HydrophobicContact CD1-CD2 4.32Å; I21-L41 HydrophobicContact CD1-CG 4.43Å; I21-L41 HydrophobicContact CG2-CD1 4.15Å; I21-L41 HydrophobicContact CG2-CD2 3.83Å; I21-I1200 HydrophobicContact CG2-CD1 4.16Å; I21-I1200 HydrophobicContact CG2-CG2 4.13Å; I21-V1214 HydrophobicContact CD1-CG2 4.11Å; I21-V1214 HydrophobicContact CG1-CG1 4.49Å; I21-V1214 HydrophobicContact CG1-CG2 4.04Å; I21-V1214 HydrophobicContact CG2-CG1 4.36Å
22	G	87.3	Confident	90.6	Very high	11 Å²	11	36.2 Å²	36.2	11%	0.113	19%	0.185	C	C	.	.			trans	137.5	-175.4	-174	0	0	0	0	0	111.8	T1216	G22-T1216 WeakPolarHBondContact O-CG2 3.3Å
23	P	90.5	Very high	90.2	Very high	73 Å²	73	39.8 Å²	39.8	47%	0.474	21%	0.208	S	C	.	.			cis	-71	142.2	6.8	28.3	-34.4	0	0	0	113.4	K5 H25	K5-P23 WeakPolarHBondContact O-CA 3.47Å; P23-H25 PolarHBondContact O-ND1 3.43Å
24	F	91.9	Very high	89.8	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.013	24%	0.235	C	C	.	.			trans	-85.9	134	170.1	-65.2	-91.1	0	0	0	109.9	L4 K5 I7 I21 T28 I1184 I1200	L4-F24 HydrophobicContact CD2-CD2 4.19Å; L4-F24 HydrophobicContact CD2-CE2 4.18Å; L4-F24 HydrophobicContact CG-CD2 4.05Å; L4-F24 HydrophobicContact CG-CE2 4.39Å; L4-F24 WeakPolarHBondContact O-CB 3.45Å; K5-F24 PolarHBondContact O-N 3.21Å; I7-F24 HydrophobicContact CB-CE2 4.47Å; I7-F24 HydrophobicContact CD1-CE2 3.95Å; I7-F24 HydrophobicContact CD1-CZ 3.86Å; I7-F24 HydrophobicContact CG1-CE2 3.87Å; I7-F24 HydrophobicContact CG1-CZ 4.3Å; I21-F24 HydrophobicContact CG2-CE2 4.36Å; I21-F24 HydrophobicContact CG2-CZ 3.91Å; I21-F24 VanDerWaalsContact O-CE2 3.28Å; I21-F24 WeakPolarHBondContact O-CE2 3.46Å; F24-T28 HydrophobicContact CD1-CG2 3.81Å; F24-T28 HydrophobicContact CE1-CG2 4.4Å; F24-I1184 HydrophobicContact CD1-CD1 3.71Å; F24-I1184 HydrophobicContact CD1-CG1 4.01Å; F24-I1184 HydrophobicContact CD1-CG2 4.26Å; F24-I1184 HydrophobicContact CE1-CD1 4Å; F24-I1184 HydrophobicContact CE1-CG1 4.46Å; F24-I1184 HydrophobicContact CE1-CG2 3.99Å; F24-I1184 HydrophobicContact CG-CD1 4.28Å; F24-I1200 HydrophobicContact CD1-CD1 3.79Å; F24-I1200 HydrophobicContact CE1-CD1 3.49Å; F24-I1200 VanDerWaalsContact CE1-CD1 3.49Å; F24-I1200 HydrophobicContact CG-CD1 4.46Å; F24-I1200 HydrophobicContact CZ-CD1 3.93Å
25	H	89.3	Confident	89.2	Confident	62 Å²	62	47.6 Å²	47.6	29%	0.287	27%	0.267	S	S	.	.			trans	-102.8	-176.3	175.5	-65.4	81	0	0	0	110.9	P23 F27 T28 Q1182 D1197 S1198	P23-H25 PolarHBondContact O-ND1 3.43Å; H25-F27 VanDerWaalsContact C-N 3.33Å; H25-F27 PolarHBondContact O-N 3.32Å; H25-T28 PolarHBondContact N-OG1 3.37Å; H25-T28 PolarHBondContact O-OG1 3.41Å; H25-Q1182 VanDerWaalsContact O-CG 3.26Å; H25-Q1182 WeakPolarHBondContact O-CG 3.34Å; H25-Q1182 PolarHBondContact O-NE2 2.83Å; H25-D1197 HydrophobicContact CB-CB 4.01Å; H25-S1198 VanDerWaalsContact ND1-CB 3.29Å; H25-S1198 WeakPolarHBondContact ND1-CB 3.27Å; H25-S1198 PolarHBondContact ND1-OG 3.34Å; H25-S1198 VanDerWaalsContact ND1-OG 3.13Å
26	K	88.4	Confident	88.8	Confident	111 Å²	111	47.7 Å²	47.7	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-55.1	-46.1	-178.9	-70.2	-170.6	174.5	-167.8	0	112.2	V1178 Q1182 A1183 D1197	K26-V1178 PolarHBondContact NZ-O 3.34Å; K26-Q1182 CarbonylContact O-C 3.52Å; K26-Q1182 WeakPolarHBondContact O-CA 3.23Å; K26-A1183 PolarHBondContact O-N 3.49Å; K26-D1197 WeakPolarHBondContact CB-OD2 3.48Å
27	F	91.1	Very high	88.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.1	167.5	-173.4	-169.8	0	0	0	110.2	H25 I1173 K1174 A1183 V1185 K1195 A1196 D1197 S1198	H25-F27 VanDerWaalsContact C-N 3.33Å; H25-F27 PolarHBondContact O-N 3.32Å; F27-I1173 HydrophobicContact CD2-CG2 4.45Å; F27-I1173 HydrophobicContact CE1-CG2 4.47Å; F27-I1173 HydrophobicContact CE2-CG2 4.27Å; F27-I1173 HydrophobicContact CZ-CG2 4.29Å; F27-K1174 HydrophobicContact CD1-CB 4.25Å; F27-K1174 HydrophobicContact CE1-CB 4.45Å; F27-A1183 CarbonylContact C-O 3.52Å; F27-A1183 WeakPolarHBondContact CA-O 3.38Å; F27-A1183 HydrophobicContact CD2-CB 3.98Å; F27-V1185 HydrophobicContact CD2-CG2 4.36Å; F27-V1185 HydrophobicContact CE2-CB 4.03Å; F27-V1185 HydrophobicContact CE2-CG2 3.55Å; F27-V1185 HydrophobicContact CZ-CG2 4.35Å; F27-K1195 WeakPolarHBondContact CD1-O 3.39Å; F27-K1195 HydrophobicContact CE1-CB 4.01Å; F27-K1195 WeakPolarHBondContact CE1-O 3.3Å; F27-A1196 HydrophobicContact CD1-CB 4.26Å; F27-A1196 HydrophobicContact CD2-CB 4.26Å; F27-A1196 HydrophobicContact CE1-CB 4.32Å; F27-A1196 HydrophobicContact CE2-CB 4.29Å; F27-A1196 HydrophobicContact CG-CB 4.2Å; F27-A1196 HydrophobicContact CZ-CB 4.32Å; F27-D1197 WeakPolarHBondContact CB-OD2 3.49Å; F27-D1197 PolarHBondContact N-OD2 2.97Å; F27-D1197 WeakPolarHBondContact O-CA 3.18Å; F27-D1197 WeakPolarHBondContact O-CB 3.46Å; F27-D1197 PolarHBondContact O-N 2.9Å; F27-S1198 PolarHBondContact O-N 3.17Å
28	T	92	Very high	88.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.5	178.6	-52.2	0	0	0	0	110.4	F24 H25 A1183 I1184 V1185 S1198 I1200	F24-T28 HydrophobicContact CD1-CG2 3.81Å; F24-T28 HydrophobicContact CE1-CG2 4.4Å; H25-T28 PolarHBondContact N-OG1 3.37Å; H25-T28 PolarHBondContact O-OG1 3.41Å; T28-A1183 PolarHBondContact N-O 3.17Å; T28-I1184 WeakPolarHBondContact O-CA 3.29Å; T28-V1185 PolarHBondContact O-N 3.2Å; T28-S1198 WeakPolarHBondContact CA-O 3.18Å; T28-S1198 PolarHBondContact OG1-OG 2.72Å; T28-I1200 HydrophobicContact CG2-CD1 3.6Å; T28-I1200 HydrophobicContact CG2-CG1 3.72Å
29	A	91.9	Very high	87.9	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.8	173.9	0	0	0	0	0	111.7	V1185 A1196 S1198 L1199 I1200	A29-V1185 CarbonylContact C-O 3.52Å; A29-V1185 VanDerWaalsContact CA-O 3.3Å; A29-V1185 WeakPolarHBondContact CA-O 3.48Å; A29-A1196 HydrophobicContact CB-CB 3.65Å; A29-S1198 PolarHBondContact N-O 2.85Å; A29-L1199 HydrophobicContact CB-CD2 3.94Å; A29-L1199 CarbonylContact O-C 3.55Å; A29-L1199 VanDerWaalsContact O-CA 3.31Å; A29-L1199 WeakPolarHBondContact O-CA 3.45Å; A29-I1200 PolarHBondContact O-N 3.13Å
30	I	91.9	Very high	87.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119	177.9	-62.1	157.2	0	0	0	108.6	K38 L41 I1184 V1185 I1186 S1187 I1200 V1202	I30-K38 HydrophobicContact CG2-CB 4.38Å; I30-K38 HydrophobicContact CG2-CG 4.44Å; I30-L41 HydrophobicContact CD1-CD2 3.66Å; I30-L41 HydrophobicContact CD1-CG 4.46Å; I30-L41 HydrophobicContact CG1-CD2 4.24Å; I30-L41 HydrophobicContact CG2-CD2 4.36Å; I30-I1184 HydrophobicContact CD1-CG2 3.61Å; I30-I1184 HydrophobicContact CG1-CG2 4.43Å; I30-V1185 PolarHBondContact N-O 3.41Å; I30-I1186 HydrophobicContact CB-CG1 3.94Å; I30-I1186 HydrophobicContact CD1-CD1 4.37Å; I30-I1186 HydrophobicContact CD1-CG1 3.72Å; I30-I1186 HydrophobicContact CG1-CG1 4.42Å; I30-I1186 HydrophobicContact CG2-CG1 4.32Å; I30-S1187 PolarHBondContact O-N 3.44Å; I30-I1200 CarbonylContact C-O 3.59Å; I30-I1200 WeakPolarHBondContact CA-O 3.39Å; I30-I1200 HydrophobicContact CG1-CB 4.07Å; I30-V1202 HydrophobicContact CG2-CG2 4.07Å
31	I	91.1	Very high	87.6	Confident	42 Å²	42	32.2 Å²	32.2	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	164.5	-173.7	64.3	169.1	0	0	0	111.8	Y1193 L1199 I1200 G1201 V1202	I31-Y1193 HydrophobicContact CG2-CD1 3.81Å; I31-Y1193 HydrophobicContact CG2-CG 3.93Å; I31-L1199 HydrophobicContact CD1-CD1 4.27Å; I31-I1200 PolarHBondContact N-O 2.85Å; I31-G1201 CarbonylContact O-C 3.44Å; I31-G1201 WeakPolarHBondContact O-CA 3.49Å; I31-V1202 PolarHBondContact O-N 3.06Å
32	G	87.6	Confident	87.3	Confident	20 Å²	20	32.2 Å²	32.2	21%	0.206	20%	0.2	C	C	.	.			trans	150.5	165.5	178.2	0	0	0	0	0	113.2	K38 L1188 V1202	G32-K38 WeakPolarHBondContact O-CE 3.48Å; G32-K38 PolarHBondContact O-NZ 3.49Å; G32-L1188 VanDerWaalsContact O-CD2 3.29Å; G32-L1188 WeakPolarHBondContact O-CD2 3.35Å; G32-V1202 WeakPolarHBondContact CA-O 3.44Å
33	P	83.4	Confident	87.4	Confident	75 Å²	75	31.8 Å²	31.8	49%	0.487	20%	0.195	S	C	.	.			trans	-66.9	159.1	-177.7	23.2	-28.6	0	0	0	112.8	G35 S36 K38	P33-G35 PolarHBondContact O-N 2.68Å; P33-S36 VanDerWaalsContact O-CB 3.24Å; P33-S36 WeakPolarHBondContact O-CB 3.48Å; P33-S36 PolarHBondContact O-N 3.22Å; P33-S36 VanDerWaalsContact O-N 3.14Å; P33-S36 PolarHBondContact O-OG 2.75Å; P33-K38 PolarHBondContact O-NZ 3.33Å
34	N	82.3	Confident	87.4	Confident	130 Å²	130	28.3 Å²	28.3	70%	0.695	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	134.6	176.9	-72.4	-13.9	0	0	0	110.6	S36 L1188	N34-S36 VanDerWaalsContact C-N 3.33Å; N34-S36 PolarHBondContact O-N 3.41Å; N34-L1188 WeakPolarHBondContact OD1-CD1 3.41Å
35	G	76.8	Confident	87.3	Confident	70 Å²	70	28.2 Å²	28.2	72%	0.722	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	4.2	-175.9	0	0	0	0	0	116	P33 G37	P33-G35 PolarHBondContact O-N 2.68Å; G35-G37 VanDerWaalsContact C-N 3.26Å; G35-G37 PolarHBondContact O-N 2.85Å
36	S	81.9	Confident	87.3	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.007	16%	0.158	C	C	.	.	S	Bend	trans	-73	-12.1	-179.1	70.7	0	0	0	0	115.5	P33 N34 V1202 S1212	P33-S36 VanDerWaalsContact O-CB 3.24Å; P33-S36 WeakPolarHBondContact O-CB 3.48Å; P33-S36 PolarHBondContact O-N 3.22Å; P33-S36 VanDerWaalsContact O-N 3.14Å; P33-S36 PolarHBondContact O-OG 2.75Å; N34-S36 VanDerWaalsContact C-N 3.33Å; N34-S36 PolarHBondContact O-N 3.41Å; S36-V1202 WeakPolarHBondContact CB-O 3.36Å; S36-V1202 WeakPolarHBondContact O-CG1 3.41Å; S36-V1202 PolarHBondContact OG-O 3.24Å; S36-S1212 WeakPolarHBondContact O-CB 3.39Å; S36-S1212 PolarHBondContact O-OG 3.18Å
37	G	82.1	Confident	87.5	Confident	8 Å²	8	20 Å²	20	8%	0.082	14%	0.135	C	C	.	.	S	Bend	trans	104.1	7.2	-178.9	0	0	0	0	0	115.7	Y15 G35 S39 N40	Y15-G37 PolarHBondContact OH-O 3.19Å; G35-G37 VanDerWaalsContact C-N 3.26Å; G35-G37 PolarHBondContact O-N 2.85Å; G37-S39 VanDerWaalsContact C-N 3.26Å; G37-S39 PolarHBondContact O-N 2.92Å; G37-N40 WeakPolarHBondContact O-CB 3.08Å; G37-N40 PolarHBondContact O-N 2.81Å
38	K	86.8	Confident	87.6	Confident	9 Å²	9	20 Å²	20	4%	0.039	14%	0.136	C	C	.	.	H	α-helix	trans	-47.8	-49.6	173.5	-57	-177.2	-63.3	-80.2	0	112.7	I30 G32 P33 N40 L41 I1186 V1202	I30-K38 HydrophobicContact CG2-CB 4.38Å; I30-K38 HydrophobicContact CG2-CG 4.44Å; G32-K38 WeakPolarHBondContact O-CE 3.48Å; G32-K38 PolarHBondContact O-NZ 3.49Å; P33-K38 PolarHBondContact O-NZ 3.33Å; K38-N40 VanDerWaalsContact C-N 3.25Å; K38-N40 PolarHBondContact O-N 2.92Å; K38-L41 WeakPolarHBondContact O-CB 3.48Å; K38-L41 PolarHBondContact O-N 2.76Å; K38-I1186 HydrophobicContact CB-CG2 4.14Å; K38-I1186 HydrophobicContact CD-CG2 4.42Å; K38-V1202 HydrophobicContact CG-CB 4.1Å; K38-V1202 HydrophobicContact CG-CG2 4.39Å
39	S	83.1	Confident	87.5	Confident	24 Å²	24	20 Å²	20	17%	0.168	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-33.7	178	-109.8	0	0	0	0	112.5	G37 L41 M42 D43 R57	G37-S39 VanDerWaalsContact C-N 3.26Å; G37-S39 PolarHBondContact O-N 2.92Å; S39-L41 PolarHBondContact O-N 3.41Å; S39-M42 WeakPolarHBondContact O-CB 3.15Å; S39-M42 PolarHBondContact O-N 3.4Å; S39-M42 VanDerWaalsContact O-N 3.12Å; S39-D43 PolarHBondContact O-N 3.3Å; S39-R57 VanDerWaalsContact CB-CZ 3.49Å; S39-R57 PolarHBondContact O-NH2 2.65Å; S39-R57 PolarHBondContact OG-NH1 3.22Å; S39-R57 PolarHBondContact OG-NH2 3.03Å
40	N	88.3	Confident	87.2	Confident	35 Å²	35	20.6 Å²	20.6	19%	0.187	14%	0.14	C	C	.	.	H	α-helix	trans	-68.3	-21.9	177.5	-66.5	-27.4	0	0	0	112.8	K13 S14 Y15 G37 K38 D43 A44	K13-N40 HydrophobicContact CB-CB 4.17Å; K13-N40 HydrophobicContact CD-CB 4.04Å; K13-N40 VanDerWaalsContact CD-OD1 3.22Å; K13-N40 WeakPolarHBondContact CD-OD1 3.15Å; S14-N40 WeakPolarHBondContact CB-ND2 3.49Å; S14-N40 PolarHBondContact OG-ND2 3.47Å; Y15-N40 HydrophobicContact CE2-CB 3.99Å; G37-N40 WeakPolarHBondContact O-CB 3.08Å; G37-N40 PolarHBondContact O-N 2.81Å; K38-N40 VanDerWaalsContact C-N 3.25Å; K38-N40 PolarHBondContact O-N 2.92Å; N40-D43 PolarHBondContact O-N 3.4Å; N40-A44 PolarHBondContact O-N 3.44Å
41	L	88.8	Confident	86.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.1	-41.1	171.1	-176.3	50.5	0	0	0	111.5	I7 I9 I21 I30 K38 S39 D43 A44 I45	I7-L41 HydrophobicContact CD1-CD1 4.18Å; I9-L41 HydrophobicContact CD1-CD1 4.04Å; I21-L41 HydrophobicContact CD1-CD1 3.43Å; I21-L41 VanDerWaalsContact CD1-CD1 3.43Å; I21-L41 HydrophobicContact CD1-CD2 4.32Å; I21-L41 HydrophobicContact CD1-CG 4.43Å; I21-L41 HydrophobicContact CG2-CD1 4.15Å; I21-L41 HydrophobicContact CG2-CD2 3.83Å; I30-L41 HydrophobicContact CD1-CD2 3.66Å; I30-L41 HydrophobicContact CD1-CG 4.46Å; I30-L41 HydrophobicContact CG1-CD2 4.24Å; I30-L41 HydrophobicContact CG2-CD2 4.36Å; K38-L41 WeakPolarHBondContact O-CB 3.48Å; K38-L41 PolarHBondContact O-N 2.76Å; S39-L41 PolarHBondContact O-N 3.41Å; L41-D43 VanDerWaalsContact C-N 3.32Å; L41-D43 PolarHBondContact O-N 3.47Å; L41-A44 WeakPolarHBondContact O-CB 3.19Å; L41-A44 PolarHBondContact O-N 3.45Å; L41-A44 VanDerWaalsContact O-N 3.08Å; L41-I45 HydrophobicContact CG-CD1 4.4Å; L41-I45 WeakPolarHBondContact O-CG1 3.24Å; L41-I45 PolarHBondContact O-N 3.3Å
42	M	87.2	Confident	86.5	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-41.6	173.5	-177.9	59	169.6	0	0	111.6	S39 A44 I45 S46 L134 V135 F136 V1153 D1155 I1186	S39-M42 WeakPolarHBondContact O-CB 3.15Å; S39-M42 PolarHBondContact O-N 3.4Å; S39-M42 VanDerWaalsContact O-N 3.12Å; M42-A44 VanDerWaalsContact C-N 3.29Å; M42-A44 PolarHBondContact O-N 3.38Å; M42-I45 PolarHBondContact O-N 3.17Å; M42-S46 WeakPolarHBondContact O-CB 3.49Å; M42-S46 PolarHBondContact O-N 3.23Å; M42-S46 PolarHBondContact O-OG 2.96Å; M42-L134 HydrophobicContact CE-CB 4.39Å; M42-L134 HydrophobicContact CE-CD2 3.4Å; M42-L134 VanDerWaalsContact CE-CD2 3.4Å; M42-L134 HydrophobicContact CE-CG 4.45Å; M42-L134 HydrophobicContact SD-CD2 3.72Å; M42-V135 WeakPolarHBondContact CE-O 3.34Å; M42-F136 HydrophobicContact CE-CD1 3.81Å; M42-F136 HydrophobicContact CE-CE1 3.96Å; M42-F136 HydrophobicContact CE-CG 4.35Å; M42-F136 HydrophobicContact CG-CD1 4.37Å; M42-F136 HydrophobicContact CG-CE1 4.41Å; M42-V1153 HydrophobicContact CE-CG1 4.41Å; M42-V1153 HydrophobicContact SD-CB 4.44Å; M42-V1153 HydrophobicContact SD-CG1 3.61Å; M42-D1155 HydrophobicContact CE-CB 4.19Å; M42-D1155 HydrophobicContact CG-CB 4.23Å; M42-D1155 HydrophobicContact SD-CB 4.46Å; M42-I1186 HydrophobicContact CB-CD1 3.9Å
43	D	88.9	Confident	86.1	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-34.4	173.5	-71.9	-71.7	0	0	0	112.1	F12 K13 S39 N40 L41 F47 L56 R57	F12-D43 HydrophobicContact CE1-CB 4.32Å; K13-D43 HydrophobicContact CD-CB 4.31Å; K13-D43 IonicContact NZ-OD1 3.64Å; K13-D43 PolarHBondContact NZ-OD1 2.88Å; K13-D43 IonicContact NZ-OD2 2.78Å; K13-D43 PolarHBondContact NZ-OD2 3.42Å; S39-D43 PolarHBondContact O-N 3.3Å; N40-D43 PolarHBondContact O-N 3.4Å; L41-D43 VanDerWaalsContact C-N 3.32Å; L41-D43 PolarHBondContact O-N 3.47Å; D43-F47 WeakPolarHBondContact O-CB 3.27Å; D43-F47 PolarHBondContact O-N 3.4Å; D43-L56 HydrophobicContact CB-CD2 4.47Å; D43-R57 PolarHBondContact OD1-N 3.36Å; D43-R57 IonicContact OD1-NE 3.96Å; D43-R57 IonicContact OD2-CZ 2.92Å; D43-R57 IonicContact OD2-NE 3.39Å; D43-R57 PolarHBondContact OD2-NE 3.44Å; D43-R57 IonicContact OD2-NH2 3.98Å; D43-R57 PolarHBondContact OD2-NH2 3.45Å
44	A	91.1	Very high	85.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-45.6	176.8	0	0	0	0	0	111.8	I9 F12 N40 L41 M42 F47 V48 V80	I9-A44 HydrophobicContact CD1-CB 3.55Å; I9-A44 HydrophobicContact CG1-CB 4.45Å; F12-A44 HydrophobicContact CD1-CB 4.02Å; F12-A44 HydrophobicContact CE1-CB 3.71Å; F12-A44 HydrophobicContact CZ-CB 4.31Å; N40-A44 PolarHBondContact O-N 3.44Å; L41-A44 WeakPolarHBondContact O-CB 3.19Å; L41-A44 PolarHBondContact O-N 3.45Å; L41-A44 VanDerWaalsContact O-N 3.08Å; M42-A44 VanDerWaalsContact C-N 3.29Å; M42-A44 PolarHBondContact O-N 3.38Å; A44-F47 PolarHBondContact O-N 2.74Å; A44-V48 PolarHBondContact O-N 2.9Å; A44-V80 HydrophobicContact CB-CG1 4.1Å; A44-V80 HydrophobicContact CB-CG2 4Å
45	I	89.9	Confident	85.5	Confident	1 Å²	1	24 Å²	24	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-47	174.3	-66.8	168	0	0	0	110.5	I7 L41 M42 F47 V48 L49 L134 V1153	I7-I45 HydrophobicContact CD1-CD1 3.78Å; I7-I45 HydrophobicContact CD1-CG1 3.32Å; L41-I45 HydrophobicContact CG-CD1 4.4Å; L41-I45 WeakPolarHBondContact O-CG1 3.24Å; L41-I45 PolarHBondContact O-N 3.3Å; M42-I45 PolarHBondContact O-N 3.17Å; I45-F47 VanDerWaalsContact C-N 3.31Å; I45-F47 PolarHBondContact O-N 3.18Å; I45-V48 VanDerWaalsContact O-CG1 3.27Å; I45-V48 WeakPolarHBondContact O-CG1 3.48Å; I45-V48 PolarHBondContact O-N 3.02Å; I45-L49 HydrophobicContact CG2-CD1 3.62Å; I45-L49 WeakPolarHBondContact O-CB 3.08Å; I45-L49 VanDerWaalsContact O-CG 3.26Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 3.24Å; I45-L49 VanDerWaalsContact O-N 3.09Å; I45-L134 HydrophobicContact CG2-CD2 4.14Å; I45-V1153 HydrophobicContact CD1-CG1 4.32Å; I45-V1153 HydrophobicContact CG2-CG2 4.35Å
46	S	89.6	Confident	85.7	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-41.8	177.8	-58.2	0	0	0	0	111.2	M42 L49 A50 E51 F136	M42-S46 WeakPolarHBondContact O-CB 3.49Å; M42-S46 PolarHBondContact O-N 3.23Å; M42-S46 PolarHBondContact O-OG 2.96Å; S46-L49 CarbonylContact O-C 3.09Å; S46-L49 PolarHBondContact O-N 2.72Å; S46-A50 PolarHBondContact O-N 3.2Å; S46-E51 WeakPolarHBondContact O-CB 3.06Å; S46-E51 PolarHBondContact O-N 3.25Å; S46-E51 VanDerWaalsContact O-N 3.09Å; S46-F136 WeakPolarHBondContact OG-CE1 3.32Å; S46-F136 WeakPolarHBondContact OG-CZ 3.31Å
47	F	91.8	Very high	85.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-47.8	179.4	176.5	-107.6	0	0	0	112.2	F12 D43 A44 I45 L49 A50 L56 L61 L64 V80 R96 I98	F12-F47 HydrophobicContact CE2-CB 4.16Å; F12-F47 AromaticContact CE2-CD1 3.75Å; F12-F47 HydrophobicContact CE2-CD1 3.75Å; F12-F47 HydrophobicContact CE2-CE1 4.29Å; F12-F47 AromaticContact CE2-CG 3.89Å; F12-F47 HydrophobicContact CE2-CG 3.89Å; F12-F47 HydrophobicContact CZ-CB 4Å; F12-F47 HydrophobicContact CZ-CD1 4.41Å; F12-F47 HydrophobicContact CZ-CG 4.24Å; D43-F47 WeakPolarHBondContact O-CB 3.27Å; D43-F47 PolarHBondContact O-N 3.4Å; A44-F47 PolarHBondContact O-N 2.74Å; I45-F47 VanDerWaalsContact C-N 3.31Å; I45-F47 PolarHBondContact O-N 3.18Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 2.67Å; F47-A50 PolarHBondContact O-N 3.3Å; F47-L56 HydrophobicContact CB-CD1 4.27Å; F47-L56 HydrophobicContact CD2-CD1 4.05Å; F47-L61 HydrophobicContact CE2-CD2 4.04Å; F47-L64 HydrophobicContact CD2-CD1 3.79Å; F47-L64 HydrophobicContact CE2-CD1 3.97Å; F47-V80 HydrophobicContact CD1-CB 4.04Å; F47-V80 HydrophobicContact CD1-CG2 3.81Å; F47-V80 HydrophobicContact CE1-CG2 4.39Å; F47-R96 HydrophobicContact CD1-CB 4.18Å; F47-R96 HydrophobicContact CD1-CG 4.41Å; F47-R96 HydrophobicContact CE1-CB 3.68Å; F47-R96 HydrophobicContact CE1-CG 3.71Å; F47-R96 WeakPolarHBondContact CE1-O 3.18Å; F47-R96 VanDerWaalsContact CE2-CD 3.5Å; F47-R96 HydrophobicContact CE2-CG 4.08Å; F47-R96 HydrophobicContact CZ-CB 4.03Å; F47-R96 VanDerWaalsContact CZ-CD 3.45Å; F47-R96 HydrophobicContact CZ-CG 3.5Å; F47-R96 VanDerWaalsContact CZ-CG 3.5Å; F47-R96 WeakPolarHBondContact O-CD 3.42Å; F47-R96 PolarHBondContact O-NH1 3.41Å; F47-I98 HydrophobicContact CE1-CD1 4.24Å; F47-I98 HydrophobicContact CE1-CG1 4Å; F47-I98 HydrophobicContact CE2-CD1 4.09Å; F47-I98 HydrophobicContact CE2-CG1 4Å; F47-I98 HydrophobicContact CZ-CD1 3.72Å; F47-I98 HydrophobicContact CZ-CG1 3.31Å
48	V	92.4	Very high	85.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-28.3	179.7	70.2	0	0	0	0	112.8	A44 I45 A50 V80 M82 F94 Y117	A44-V48 PolarHBondContact O-N 2.9Å; I45-V48 VanDerWaalsContact O-CG1 3.27Å; I45-V48 WeakPolarHBondContact O-CG1 3.48Å; I45-V48 PolarHBondContact O-N 3.02Å; V48-A50 PolarHBondContact O-N 2.95Å; V48-A50 VanDerWaalsContact O-N 3.15Å; V48-V80 HydrophobicContact CB-CB 4.21Å; V48-V80 HydrophobicContact CB-CG1 3.86Å; V48-V80 HydrophobicContact CG1-CG1 4.11Å; V48-V80 HydrophobicContact CG2-CG1 4.47Å; V48-M82 HydrophobicContact CG1-CB 3.92Å; V48-M82 HydrophobicContact CG2-CB 3.89Å; V48-F94 HydrophobicContact CG2-CB 4.49Å; V48-F94 WeakPolarHBondContact CG2-O 2.95Å; V48-Y117 WeakPolarHBondContact O-CE1 3.4Å; V48-Y117 PolarHBondContact O-OH 2.91Å
49	L	90	Very high	85.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	20	173.4	-62.9	171.7	0	0	0	113.3	I45 S46 F47 E51 M82 L121 I126 F133 L134 F1151	I45-L49 HydrophobicContact CG2-CD1 3.62Å; I45-L49 WeakPolarHBondContact O-CB 3.08Å; I45-L49 VanDerWaalsContact O-CG 3.26Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 3.24Å; I45-L49 VanDerWaalsContact O-N 3.09Å; S46-L49 CarbonylContact O-C 3.09Å; S46-L49 PolarHBondContact O-N 2.72Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 2.67Å; L49-E51 VanDerWaalsContact C-N 3.3Å; L49-E51 PolarHBondContact O-N 3.2Å; L49-M82 HydrophobicContact CD2-CE 3.89Å; L49-M82 HydrophobicContact CD2-SD 3.74Å; L49-M82 HydrophobicContact CG-SD 4.39Å; L49-L121 HydrophobicContact CD2-CD1 4.37Å; L49-L121 HydrophobicContact CD2-CD2 4Å; L49-I126 HydrophobicContact CD2-CD1 4.29Å; L49-I126 HydrophobicContact CD2-CG2 4.19Å; L49-F133 HydrophobicContact CB-CE2 4.04Å; L49-F133 HydrophobicContact CB-CZ 4.24Å; L49-F133 HydrophobicContact CD1-CD2 3.84Å; L49-F133 HydrophobicContact CD1-CE2 3.3Å; L49-F133 HydrophobicContact CD1-CZ 4.24Å; L49-F133 HydrophobicContact CG-CE2 4.15Å; L49-L134 HydrophobicContact CD1-CD1 4.46Å; L49-F1151 HydrophobicContact CD1-CE2 3.98Å; L49-F1151 HydrophobicContact CD1-CZ 3.87Å; L49-F1151 HydrophobicContact CD2-CZ 4.35Å
50	A	87.3	Confident	85.7	Confident	13 Å²	13	38.8 Å²	38.8	11%	0.107	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	28.8	173.6	0	0	0	0	0	115.3	S46 F47 V48 Y105 L114 Y117 I128	S46-A50 PolarHBondContact O-N 3.2Å; F47-A50 PolarHBondContact O-N 3.3Å; V48-A50 PolarHBondContact O-N 2.95Å; V48-A50 VanDerWaalsContact O-N 3.15Å; A50-Y105 HydrophobicContact CB-CE1 3.87Å; A50-L114 HydrophobicContact CB-CD1 3.86Å; A50-Y117 HydrophobicContact CB-CD1 4.26Å; A50-Y117 HydrophobicContact CB-CE1 4.17Å; A50-I128 HydrophobicContact CB-CD1 4.23Å
51	E	85.1	Confident	85.6	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.033	19%	0.192	C	C	.	.			trans	-64.2	154.4	172.5	-94.1	-68.3	177.5	0	0	112.9	S46 L49 N55 R96 R131 L134	S46-E51 WeakPolarHBondContact O-CB 3.06Å; S46-E51 PolarHBondContact O-N 3.25Å; S46-E51 VanDerWaalsContact O-N 3.09Å; L49-E51 VanDerWaalsContact C-N 3.3Å; L49-E51 PolarHBondContact O-N 3.2Å; E51-N55 PolarHBondContact OE2-ND2 2.84Å; E51-R96 PolarHBondContact O-NH1 2.95Å; E51-R131 WeakPolarHBondContact OE1-CG 3.43Å; E51-R131 IonicContact OE1-CZ 3.4Å; E51-R131 IonicContact OE1-NE 3.38Å; E51-R131 PolarHBondContact OE1-NE 3.39Å; E51-R131 IonicContact OE1-NH2 2.68Å; E51-R131 IonicContact OE2-NH2 2.68Å; E51-L134 HydrophobicContact CG-CD1 4.48Å
52	K	82.1	Confident	85.5	Confident	151 Å²	151	43.2 Å²	43.2	66%	0.657	21%	0.214	S	C	*	.			trans	-71.9	144	178.7	-62.2	179.3	179.9	174.4	0	110.4	S54 N55	K52-S54 PolarHBondContact O-N 3.35Å; K52-S54 VanDerWaalsContact O-N 3.09Å; K52-N55 PolarHBondContact O-N 2.64Å
53	T	79.6	Confident	85.5	Confident	37 Å²	37	45.4 Å²	45.4	23%	0.227	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-56.4	-29.6	179.4	-41.2	0	0	0	0	113.3	N55 L56 V58 L61	T53-N55 PolarHBondContact O-N 3.22Å; T53-L56 PolarHBondContact O-N 2.85Å; T53-V58 HydrophobicContact CG2-CG2 4.05Å; T53-L61 HydrophobicContact CG2-CD2 4.02Å; T53-L61 HydrophobicContact CG2-CG 4.25Å; T53-L61 WeakPolarHBondContact OG1-CD2 3.47Å
54	S	78.1	Confident	85.6	Confident	96 Å²	96	45.3 Å²	45.3	67%	0.671	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-64.6	-22.4	177	59.1	0	0	0	0	114.3	K52	K52-S54 PolarHBondContact O-N 3.35Å; K52-S54 VanDerWaalsContact O-N 3.09Å
55	N	75.7	Confident	85.5	Confident	48 Å²	48	45.8 Å²	45.8	26%	0.257	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-96	-14.2	179.6	-49.9	-48.4	0	0	0	111.8	E51 K52 T53 R131	E51-N55 PolarHBondContact OE2-ND2 2.84Å; K52-N55 PolarHBondContact O-N 2.64Å; T53-N55 PolarHBondContact O-N 3.22Å; N55-R131 PolarHBondContact ND2-NH2 2.85Å; N55-R131 PolarHBondContact OD1-NH2 3.42Å
56	L	81.2	Confident	85.5	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	150	169.4	-56.6	177.5	0	0	0	108.2	D43 F47 T53 V58 L64	D43-L56 HydrophobicContact CB-CD2 4.47Å; F47-L56 HydrophobicContact CB-CD1 4.27Å; F47-L56 HydrophobicContact CD2-CD1 4.05Å; T53-L56 PolarHBondContact O-N 2.85Å; L56-V58 HydrophobicContact CB-CG2 3.75Å; L56-V58 PolarHBondContact O-N 3.03Å; L56-L64 HydrophobicContact CD1-CD1 3.94Å
57	R	84.2	Confident	85.2	Confident	121 Å²	121	46.5 Å²	46.5	46%	0.457	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	54.4	178.2	-68.2	173.8	-69.9	-155.2	-14.1	113	S39 D43	S39-R57 VanDerWaalsContact CB-CZ 3.49Å; S39-R57 PolarHBondContact O-NH2 2.65Å; S39-R57 PolarHBondContact OG-NH1 3.22Å; S39-R57 PolarHBondContact OG-NH2 3.03Å; D43-R57 PolarHBondContact OD1-N 3.36Å; D43-R57 IonicContact OD1-NE 3.96Å; D43-R57 IonicContact OD2-CZ 2.92Å; D43-R57 IonicContact OD2-NE 3.39Å; D43-R57 PolarHBondContact OD2-NE 3.44Å; D43-R57 IonicContact OD2-NH2 3.98Å; D43-R57 PolarHBondContact OD2-NH2 3.45Å
58	V	83.4	Confident	84.8	Confident	28 Å²	28	47.6 Å²	47.6	17%	0.17	24%	0.242	C	C	.	.			trans	-151.6	153.7	-179.7	-72.8	0	0	0	0	110.8	T53 L56 D63 L64	T53-V58 HydrophobicContact CG2-CG2 4.05Å; L56-V58 HydrophobicContact CB-CG2 3.75Å; L56-V58 PolarHBondContact O-N 3.03Å; V58-D63 HydrophobicContact CB-CB 4.15Å; V58-D63 HydrophobicContact CG1-CB 3.98Å; V58-L64 HydrophobicContact CB-CD2 4.25Å; V58-L64 HydrophobicContact CG1-CD2 3.65Å; V58-L64 HydrophobicContact CG1-CG 4.19Å; V58-L64 HydrophobicContact CG2-CD1 4.34Å; V58-L64 HydrophobicContact CG2-CD2 3.6Å; V58-L64 HydrophobicContact CG2-CG 3.84Å
59	K	80.4	Confident	84.2	Confident	199 Å²	199	52 Å²	52	87%	0.865	27%	0.271	S	S	*	.	S	Bend	trans	-88	-37.5	175.5	-68.6	-177.1	-179.7	177.9	0	112.1
60	T	85.2	Confident	83.7	Confident	67 Å²	67	56.7 Å²	56.7	41%	0.411	30%	0.299	S	S	.	.	S	Bend	trans	-128.3	155.8	179.7	72.8	0	0	0	0	111.7	K62 D63	T60-K62 PolarHBondContact O-N 2.94Å; T60-D63 PolarHBondContact N-OD2 3.44Å; T60-D63 WeakPolarHBondContact O-CB 3.02Å; T60-D63 PolarHBondContact O-N 3.04Å; T60-D63 VanDerWaalsContact O-N 3.17Å; T60-D63 PolarHBondContact OG1-OD1 2.89Å; T60-D63 PolarHBondContact OG1-OD2 2.7Å
61	L	86.3	Confident	83.3	Confident	23 Å²	23	59.2 Å²	59.2	12%	0.12	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-63.5	-28.1	177.4	-70.9	174.4	0	0	0	112.6	F47 T53 D63 L64	F47-L61 HydrophobicContact CE2-CD2 4.04Å; T53-L61 HydrophobicContact CG2-CD2 4.02Å; T53-L61 HydrophobicContact CG2-CG 4.25Å; T53-L61 WeakPolarHBondContact OG1-CD2 3.47Å; L61-D63 PolarHBondContact O-N 2.76Å; L61-L64 HydrophobicContact CD2-CD1 3.85Å; L61-L64 WeakPolarHBondContact O-CB 3.42Å; L61-L64 PolarHBondContact O-N 3.12Å
62	K	86.4	Confident	83.1	Confident	106 Å²	106	65.4 Å²	65.4	46%	0.461	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.4	-33	175.6	-75.8	-178.7	177.1	-178.2	0	112.4	T60 L64 I65 A68 G100	T60-K62 PolarHBondContact O-N 2.94Å; K62-L64 PolarHBondContact O-N 3.1Å; K62-I65 WeakPolarHBondContact O-CB 3.44Å; K62-I65 PolarHBondContact O-N 2.71Å; K62-I65 VanDerWaalsContact O-N 3.08Å; K62-A68 VanDerWaalsContact O-CB 3.27Å; K62-A68 WeakPolarHBondContact O-CB 3.48Å; K62-G100 WeakPolarHBondContact CE-O 3.28Å; K62-G100 WeakPolarHBondContact CG-O 3.42Å
63	D	87.5	Confident	83.1	Confident	46 Å²	46	61.6 Å²	61.6	25%	0.246	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-69.8	-12.4	-178.8	-54.4	-35.6	0	0	0	112.7	V58 T60 L61 I65 P69	V58-D63 HydrophobicContact CB-CB 4.15Å; V58-D63 HydrophobicContact CG1-CB 3.98Å; T60-D63 PolarHBondContact N-OD2 3.44Å; T60-D63 WeakPolarHBondContact O-CB 3.02Å; T60-D63 PolarHBondContact O-N 3.04Å; T60-D63 VanDerWaalsContact O-N 3.17Å; T60-D63 PolarHBondContact OG1-OD1 2.89Å; T60-D63 PolarHBondContact OG1-OD2 2.7Å; L61-D63 PolarHBondContact O-N 2.76Å; D63-I65 VanDerWaalsContact C-N 3.28Å; D63-P69 HydrophobicContact CB-CG 4.38Å; D63-P69 WeakPolarHBondContact O-CG 3.07Å
64	L	89.9	Confident	83	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-78.2	-12.2	173.1	-64.3	170.7	0	0	0	112.7	F12 K13 F47 L56 V58 L61 K62 I98	F12-L64 CarbonylContact C-O 3.54Å; F12-L64 WeakPolarHBondContact CA-O 3.33Å; F12-L64 HydrophobicContact CD2-CB 4.24Å; F12-L64 HydrophobicContact CE2-CB 3.87Å; F12-L64 HydrophobicContact CE2-CD1 4.1Å; F12-L64 HydrophobicContact CE2-CD2 4.08Å; F12-L64 HydrophobicContact CE2-CG 4.25Å; F12-L64 HydrophobicContact CZ-CB 4.45Å; F12-L64 HydrophobicContact CZ-CD1 4.48Å; F12-L64 HydrophobicContact CZ-CD2 3.84Å; F12-L64 HydrophobicContact CZ-CG 4.5Å; K13-L64 HydrophobicContact CD-CD2 4.3Å; K13-L64 HydrophobicContact CG-CD2 4.13Å; K13-L64 PolarHBondContact N-O 2.56Å; F47-L64 HydrophobicContact CD2-CD1 3.79Å; F47-L64 HydrophobicContact CE2-CD1 3.97Å; L56-L64 HydrophobicContact CD1-CD1 3.94Å; V58-L64 HydrophobicContact CB-CD2 4.25Å; V58-L64 HydrophobicContact CG1-CD2 3.65Å; V58-L64 HydrophobicContact CG1-CG 4.19Å; V58-L64 HydrophobicContact CG2-CD1 4.34Å; V58-L64 HydrophobicContact CG2-CD2 3.6Å; V58-L64 HydrophobicContact CG2-CG 3.84Å; L61-L64 HydrophobicContact CD2-CD1 3.85Å; L61-L64 WeakPolarHBondContact O-CB 3.42Å; L61-L64 PolarHBondContact O-N 3.12Å; K62-L64 PolarHBondContact O-N 3.1Å; L64-I98 HydrophobicContact CB-CD1 3.51Å; L64-I98 HydrophobicContact CD1-CD1 3.86Å; L64-I98 HydrophobicContact CG-CD1 4.31Å
65	I	90.1	Very high	83.3	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.051	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-77.2	134.6	175.4	-58.3	175.5	0	0	0	108.9	K62 D63 G67 A68 P73 A75 A78 I98	K62-I65 WeakPolarHBondContact O-CB 3.44Å; K62-I65 PolarHBondContact O-N 2.71Å; K62-I65 VanDerWaalsContact O-N 3.08Å; D63-I65 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 2.85Å; I65-A68 HydrophobicContact CB-CB 4.17Å; I65-A68 VanDerWaalsContact O-CB 3.26Å; I65-A68 WeakPolarHBondContact O-CB 3.13Å; I65-A68 PolarHBondContact O-N 2.59Å; I65-P73 HydrophobicContact CG2-CB 4.47Å; I65-A75 WeakPolarHBondContact CG2-O 3.43Å; I65-A78 HydrophobicContact CG1-CB 4.01Å; I65-I98 HydrophobicContact CD1-CG2 4.17Å; I65-I98 HydrophobicContact CG1-CG2 4.25Å
66	H	88.7	Confident	83.7	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.042	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	128.6	179.8	179.4	70.9	0	0	0	111.8	N11 K13 A68 P73 A74	N11-H66 PolarHBondContact O-N 3.33Å; K13-H66 VanDerWaalsContact O-CA 3.23Å; K13-H66 WeakPolarHBondContact O-CA 3.43Å; K13-H66 WeakPolarHBondContact O-CB 3.23Å; K13-H66 PolarHBondContact O-ND1 3.33Å; H66-A68 VanDerWaalsContact C-N 3.26Å; H66-A68 PolarHBondContact O-N 3.29Å; H66-P73 WeakPolarHBondContact O-CA 3.49Å; H66-A74 HydrophobicContact CB-CB 4.33Å; H66-A74 PolarHBondContact O-N 3.4Å
67	G	83.1	Confident	84.1	Confident	7 Å²	7	70.5 Å²	70.5	7%	0.072	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-5.7	-179.7	0	0	0	0	0	115.9	I65 V70 K72	I65-G67 PolarHBondContact O-N 2.85Å; G67-V70 VanDerWaalsContact O-CG2 3.24Å; G67-V70 WeakPolarHBondContact O-CG2 3.01Å; G67-V70 PolarHBondContact O-N 3.12Å; G67-K72 CarbonylContact C-O 3.57Å; G67-K72 VanDerWaalsContact C-O 3.28Å; G67-K72 VanDerWaalsContact CA-O 3.26Å; G67-K72 WeakPolarHBondContact CA-O 3.37Å; G67-K72 CarbonylContact O-C 3.58Å; G67-K72 WeakPolarHBondContact O-CA 3.35Å; G67-K72 PolarHBondContact O-N 2.76Å
68	A	84.1	Confident	84.5	Confident	23 Å²	23	64.7 Å²	64.7	19%	0.19	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-62.5	-41.7	178.4	0	0	0	0	0	114.3	K62 I65 H66 V70 G71 P73	K62-A68 VanDerWaalsContact O-CB 3.27Å; K62-A68 WeakPolarHBondContact O-CB 3.48Å; I65-A68 HydrophobicContact CB-CB 4.17Å; I65-A68 VanDerWaalsContact O-CB 3.26Å; I65-A68 WeakPolarHBondContact O-CB 3.13Å; I65-A68 PolarHBondContact O-N 2.59Å; H66-A68 VanDerWaalsContact C-N 3.26Å; H66-A68 PolarHBondContact O-N 3.29Å; A68-V70 PolarHBondContact O-N 3.17Å; A68-G71 PolarHBondContact O-N 2.96Å; A68-P73 HydrophobicContact CB-CB 4.25Å
69	P	79.3	Confident	85.1	Confident	94 Å²	94	65.2 Å²	65.2	61%	0.61	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.5	-179.9	-25.5	35.9	0	0	0	115.1	D63	D63-P69 HydrophobicContact CB-CG 4.38Å; D63-P69 WeakPolarHBondContact O-CG 3.07Å
70	V	79.8	Confident	85.8	Confident	99 Å²	99	55.8 Å²	55.8	60%	0.6	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-101.1	13	177.9	-63.9	0	0	0	0	112.4	G67 A68 K72	G67-V70 VanDerWaalsContact O-CG2 3.24Å; G67-V70 WeakPolarHBondContact O-CG2 3.01Å; G67-V70 PolarHBondContact O-N 3.12Å; A68-V70 PolarHBondContact O-N 3.17Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 2.66Å
71	G	79.3	Confident	86.3	Confident	65 Å²	65	53 Å²	53	67%	0.67	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	10.9	177.6	0	0	0	0	0	115.2	A68	A68-G71 PolarHBondContact O-N 2.96Å
72	K	81.3	Confident	86.7	Confident	137 Å²	137	52 Å²	52	60%	0.596	30%	0.297	S	S	*	.			trans	-126.7	67	-178.6	-65.7	-175.5	179.5	-179.5	0	111.4	G67 V70 A74	G67-K72 CarbonylContact C-O 3.57Å; G67-K72 VanDerWaalsContact C-O 3.28Å; G67-K72 VanDerWaalsContact CA-O 3.26Å; G67-K72 WeakPolarHBondContact CA-O 3.37Å; G67-K72 CarbonylContact O-C 3.58Å; G67-K72 WeakPolarHBondContact O-CA 3.35Å; G67-K72 PolarHBondContact O-N 2.76Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 2.66Å; K72-A74 PolarHBondContact O-N 3.06Å
73	P	81.1	Confident	87.1	Confident	72 Å²	72	47.6 Å²	47.6	47%	0.468	28%	0.279	S	S	.	.			trans	-62.8	129.7	-178.9	27.1	-33.9	0	0	0	111.1	I65 H66 A68 A75	I65-P73 HydrophobicContact CG2-CB 4.47Å; H66-P73 WeakPolarHBondContact O-CA 3.49Å; A68-P73 HydrophobicContact CB-CB 4.25Å; P73-A75 VanDerWaalsContact C-N 3.27Å; P73-A75 PolarHBondContact O-N 3.3Å
74	A	78.4	Confident	87.4	Confident	50 Å²	50	46 Å²	46	41%	0.413	27%	0.269	S	S	.	.	S	Bend	trans	-74.3	-17.5	-178.9	0	0	0	0	0	113.7	H66 K72	H66-A74 HydrophobicContact CB-CB 4.33Å; H66-A74 PolarHBondContact O-N 3.4Å; K72-A74 PolarHBondContact O-N 3.06Å
75	A	83.1	Confident	87.4	Confident	25 Å²	25	47.9 Å²	47.9	21%	0.207	28%	0.278	C	S	.	.			trans	-158.1	169.6	176.6	0	0	0	0	0	110.9	N11 I65 P73 R77	N11-A75 HydrophobicContact CB-CB 4.39Å; I65-A75 WeakPolarHBondContact CG2-O 3.43Å; P73-A75 VanDerWaalsContact C-N 3.27Å; P73-A75 PolarHBondContact O-N 3.3Å; A75-R77 VanDerWaalsContact C-N 3.32Å; A75-R77 WeakPolarHBondContact CB-O 3.38Å
76	N	84.3	Confident	87.3	Confident	149 Å²	149	48.9 Å²	48.9	80%	0.797	28%	0.283	S	S	*	.	S	Bend	trans	-88.3	-1.1	171.5	-71.3	-19.6	0	0	0	113.4
77	R	90.3	Very high	87	Confident	150 Å²	150	54.2 Å²	54.2	57%	0.566	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.1	-178.6	71.4	-178.5	-165.1	-166.2	1.6	110.7	E10 A75 I98	E10-R77 IonicContact OE2-NE 2.62Å; E10-R77 IonicContact OE2-NH2 2.78Å; A75-R77 VanDerWaalsContact C-N 3.32Å; A75-R77 WeakPolarHBondContact CB-O 3.38Å; R77-I98 WeakPolarHBondContact CA-O 3.31Å
78	A	93.5	Very high	87.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.1	168.7	0	0	0	0	0	108.3	E10 N11 I65 I98	E10-A78 VanDerWaalsContact O-CA 3.29Å; E10-A78 WeakPolarHBondContact O-CA 3.15Å; E10-A78 WeakPolarHBondContact O-CB 3.48Å; N11-A78 HydrophobicContact CB-CB 4.38Å; N11-A78 VanDerWaalsContact O-CB 3.24Å; N11-A78 WeakPolarHBondContact O-CB 3.14Å; I65-A78 HydrophobicContact CG1-CB 4.01Å; A78-I98 HydrophobicContact CB-CD1 4.36Å; A78-I98 PolarHBondContact O-N 2.99Å
79	F	94.6	Very high	86.9	Confident	39 Å²	39	59.7 Å²	59.7	17%	0.171	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.3	174.2	76.7	-99.6	0	0	0	111.9	E8 E10 T95 R96 V97	E8-F79 HydrophobicContact CB-CE2 4.49Å; E10-F79 HydrophobicContact CB-CD1 3.61Å; E10-F79 HydrophobicContact CB-CE1 3.35Å; E10-F79 HydrophobicContact CB-CE2 4.44Å; E10-F79 HydrophobicContact CB-CG 4.28Å; E10-F79 HydrophobicContact CB-CZ 3.8Å; E10-F79 HydrophobicContact CG-CD1 4.43Å; E10-F79 HydrophobicContact CG-CE1 4.08Å; E10-F79 PolarHBondContact N-O 2.72Å; E10-F79 PolarHBondContact O-N 2.8Å; E10-F79 VanDerWaalsContact O-N 3.11Å; E10-F79 WeakPolarHBondContact OE2-CD1 3.4Å; E10-F79 WeakPolarHBondContact OE2-CE1 2.89Å; F79-T95 HydrophobicContact CB-CG2 4.3Å; F79-T95 HydrophobicContact CD2-CG2 3.99Å; F79-T95 HydrophobicContact CG-CG2 4.44Å; F79-R96 WeakPolarHBondContact CA-O 2.92Å; F79-V97 HydrophobicContact CB-CB 4.29Å; F79-V97 HydrophobicContact CB-CG1 4.27Å; F79-V97 HydrophobicContact CB-CG2 3.91Å
80	V	96.3	Very high	87.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.3	168.1	-177.6	0	0	0	0	107.4	I7 E8 I9 F12 A44 F47 V48 T95 R96	I7-V80 HydrophobicContact CG2-CG1 3.81Å; E8-V80 CarbonylContact O-C 3.41Å; E8-V80 WeakPolarHBondContact O-CA 3.5Å; I9-V80 HydrophobicContact CG1-CG1 4.28Å; I9-V80 HydrophobicContact CG2-CG2 4.41Å; F12-V80 HydrophobicContact CB-CG2 4.44Å; F12-V80 HydrophobicContact CD1-CG2 4.41Å; F12-V80 HydrophobicContact CD2-CG2 3.7Å; F12-V80 HydrophobicContact CE2-CG2 3.93Å; F12-V80 HydrophobicContact CG-CG2 3.95Å; F12-V80 HydrophobicContact CZ-CG2 4.38Å; A44-V80 HydrophobicContact CB-CG1 4.1Å; A44-V80 HydrophobicContact CB-CG2 4Å; F47-V80 HydrophobicContact CD1-CB 4.04Å; F47-V80 HydrophobicContact CD1-CG2 3.81Å; F47-V80 HydrophobicContact CE1-CG2 4.39Å; V48-V80 HydrophobicContact CB-CB 4.21Å; V48-V80 HydrophobicContact CB-CG1 3.86Å; V48-V80 HydrophobicContact CG1-CG1 4.11Å; V48-V80 HydrophobicContact CG2-CG1 4.47Å; V80-T95 WeakPolarHBondContact O-CA 3.42Å; V80-R96 PolarHBondContact N-O 3.45Å; V80-R96 PolarHBondContact O-N 3.07Å
81	S	95.8	Very high	87.9	Confident	9 Å²	9	61 Å²	61	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.3	176.3	-174.3	0	0	0	0	110.1	I7 E8 F94 T95	I7-S81 CarbonylContact C-O 3.28Å; I7-S81 WeakPolarHBondContact CA-O 3.1Å; E8-S81 PolarHBondContact N-O 2.83Å; E8-S81 PolarHBondContact O-N 2.74Å; S81-F94 CarbonylContact C-O 3.58Å; S81-F94 WeakPolarHBondContact CA-O 2.98Å; S81-T95 WeakPolarHBondContact CB-OG1 3.33Å; S81-T95 PolarHBondContact OG-OG1 3.29Å
82	M	94.5	Very high	88.5	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122	175.1	-175.2	-175.7	72.2	0	0	108.6	L4 V48 L49 S93 F94 L121 F1151	L4-M82 HydrophobicContact CD1-CB 4.49Å; L4-M82 HydrophobicContact CD1-CG 3.22Å; L4-M82 HydrophobicContact CD1-SD 4.01Å; V48-M82 HydrophobicContact CG1-CB 3.92Å; V48-M82 HydrophobicContact CG2-CB 3.89Å; L49-M82 HydrophobicContact CD2-CE 3.89Å; L49-M82 HydrophobicContact CD2-SD 3.74Å; L49-M82 HydrophobicContact CG-SD 4.39Å; M82-S93 CarbonylContact O-C 3.6Å; M82-S93 WeakPolarHBondContact O-CA 3.11Å; M82-F94 HydrophobicContact CB-CB 4.36Å; M82-F94 HydrophobicContact CE-CB 4.06Å; M82-F94 HydrophobicContact CE-CD2 3.62Å; M82-F94 HydrophobicContact CE-CE2 4.33Å; M82-F94 HydrophobicContact CE-CG 4.03Å; M82-F94 PolarHBondContact N-O 3.45Å; M82-F94 PolarHBondContact O-N 3.48Å; M82-L121 HydrophobicContact CE-CD2 4.09Å; M82-F1151 HydrophobicContact SD-CE1 4.13Å; M82-F1151 HydrophobicContact SD-CZ 3.86Å
83	V	94.1	Very high	89.1	Confident	15 Å²	15	55.4 Å²	55.4	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.1	175.5	-177.5	0	0	0	0	108.8	K5 L6 E91	K5-V83 WeakPolarHBondContact CB-O 3.38Å; K5-V83 PolarHBondContact N-O 2.63Å; L6-V83 HydrophobicContact CD1-CB 3.92Å; L6-V83 HydrophobicContact CD1-CG2 3.57Å; L6-V83 HydrophobicContact CG-CB 4.04Å; L6-V83 HydrophobicContact CG-CG2 4.23Å; L6-V83 PolarHBondContact O-N 2.87Å; V83-E91 HydrophobicContact CG1-CB 4.35Å; V83-E91 HydrophobicContact CG1-CG 4.43Å
84	Y	93	Very high	89.8	Confident	11 Å²	11	52 Å²	52	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.4	179.8	-177.3	-100.3	0	0	0	109.9	G2 Y3 E86 E91 R92 L124 P1150 F1151	G2-Y84 VanDerWaalsContact C-OH 3.31Å; G2-Y84 VanDerWaalsContact CA-OH 3.27Å; G2-Y84 WeakPolarHBondContact CA-OH 3.02Å; Y3-Y84 WeakPolarHBondContact O-CD2 3.49Å; Y84-E86 HydrophobicContact CD1-CG 3.99Å; Y84-E86 HydrophobicContact CE1-CG 3.84Å; Y84-E91 CarbonylContact O-C 3.54Å; Y84-E91 WeakPolarHBondContact O-CA 2.96Å; Y84-R92 PolarHBondContact N-O 2.91Å; Y84-R92 PolarHBondContact O-N 2.98Å; Y84-L124 HydrophobicContact CD1-CD1 3.91Å; Y84-L124 HydrophobicContact CD1-CD2 4.29Å; Y84-L124 HydrophobicContact CE1-CD1 4.04Å; Y84-L124 HydrophobicContact CE1-CD2 3.76Å; Y84-L124 HydrophobicContact CE1-CG 4.42Å; Y84-L124 HydrophobicContact CG-CD1 4.37Å; Y84-P1150 HydrophobicContact CE2-CB 3.75Å; Y84-P1150 HydrophobicContact CE2-CG 3.81Å; Y84-P1150 WeakPolarHBondContact OH-CB 2.92Å; Y84-F1151 HydrophobicContact CD2-CE1 4.49Å; Y84-F1151 HydrophobicContact CE2-CD1 4.45Å
85	Q	91.6	Very high	90.6	Very high	40 Å²	40	50 Å²	50	19%	0.187	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.3	175.1	-173.6	170.4	-29.3	0	0	109.1	G2 Y3	G2-Q85 CarbonylContact C-O 3.59Å; G2-Q85 WeakPolarHBondContact CA-O 3.24Å; Y3-Q85 HydrophobicContact CD1-CB 4.36Å; Y3-Q85 HydrophobicContact CE1-CB 4.02Å; Y3-Q85 HydrophobicContact CE1-CG 4.13Å; Y3-Q85 PolarHBondContact N-O 2.92Å; Y3-Q85 PolarHBondContact O-N 2.86Å; Y3-Q85 PolarHBondContact OH-OE1 3.17Å
86	E	87.6	Confident	91.2	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.145	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-79.9	167.7	179.2	-74.5	-169.5	-179.8	0	0	112.5	Y84 N88 G89 E90 R92	Y84-E86 HydrophobicContact CD1-CG 3.99Å; Y84-E86 HydrophobicContact CE1-CG 3.84Å; E86-N88 WeakPolarHBondContact CB-OD1 3.24Å; E86-N88 PolarHBondContact O-N 3.38Å; E86-G89 PolarHBondContact O-N 2.88Å; E86-E90 PolarHBondContact N-O 3.38Å; E86-R92 WeakPolarHBondContact OE1-CD 3.15Å; E86-R92 IonicContact OE1-CZ 2.71Å; E86-R92 IonicContact OE1-NE 3.01Å; E86-R92 PolarHBondContact OE1-NE 3.37Å; E86-R92 IonicContact OE1-NH1 3.89Å; E86-R92 IonicContact OE1-NH2 2.86Å; E86-R92 PolarHBondContact OE1-NH2 2.89Å; E86-R92 IonicContact OE2-NH2 2.79Å
87	D	82.8	Confident	91.6	Very high	122 Å²	122	42.7 Å²	42.7	65%	0.652	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.4	177.8	-76.3	-47.5	0	0	0	113.9	M1 G2 G89	M1-D87 WeakPolarHBondContact CA-OD1 3.46Å; M1-D87 PolarHBondContact N-OD1 3.38Å; G2-D87 PolarHBondContact N-OD1 3.47Å; D87-G89 PolarHBondContact O-N 3.31Å
88	N	83.9	Confident	91.7	Very high	100 Å²	100	35.5 Å²	35.5	54%	0.535	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.4	176.2	62.6	3.2	0	0	0	113	E86 E90	E86-N88 WeakPolarHBondContact CB-OD1 3.24Å; E86-N88 PolarHBondContact O-N 3.38Å; N88-E90 PolarHBondContact ND2-OE2 3.3Å; N88-E90 WeakPolarHBondContact OD1-CB 3.49Å; N88-E90 PolarHBondContact OD1-N 3.5Å
89	G	80.7	Confident	91.4	Very high	44 Å²	44	39.2 Å²	39.2	45%	0.454	21%	0.206	S	C	.	.	S	Bend	trans	85.6	0.6	-177	0	0	0	0	0	115.2	E86 D87	E86-G89 PolarHBondContact O-N 2.88Å; D87-G89 PolarHBondContact O-N 3.31Å
90	E	88.2	Confident	90.7	Very high	119 Å²	119	39 Å²	39	56%	0.556	21%	0.214	S	C	*	.			trans	-75.5	142.6	175.4	-66.4	-172.8	163.4	0	0	111.6	E86 N88	E86-E90 PolarHBondContact N-O 3.38Å; N88-E90 PolarHBondContact ND2-OE2 3.3Å; N88-E90 WeakPolarHBondContact OD1-CB 3.49Å; N88-E90 PolarHBondContact OD1-N 3.5Å
91	E	91.6	Very high	89.8	Confident	101 Å²	101	42.7 Å²	42.7	47%	0.472	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.6	175.3	-68.6	-176.9	-174.8	0	0	110.8	K5 V83 Y84	K5-E91 IonicContact NZ-OE1 2.73Å; K5-E91 PolarHBondContact NZ-OE1 3.39Å; V83-E91 HydrophobicContact CG1-CB 4.35Å; V83-E91 HydrophobicContact CG1-CG 4.43Å; Y84-E91 CarbonylContact O-C 3.54Å; Y84-E91 WeakPolarHBondContact O-CA 2.96Å
92	R	92.5	Very high	89.3	Confident	62 Å²	62	45.7 Å²	45.7	23%	0.234	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.6	168.3	-69.2	-164.8	-175.5	177.9	16	110.7	Y84 E86 F94 N108 E120	Y84-R92 PolarHBondContact N-O 2.91Å; Y84-R92 PolarHBondContact O-N 2.98Å; E86-R92 WeakPolarHBondContact OE1-CD 3.15Å; E86-R92 IonicContact OE1-CZ 2.71Å; E86-R92 IonicContact OE1-NE 3.01Å; E86-R92 PolarHBondContact OE1-NE 3.37Å; E86-R92 IonicContact OE1-NH1 3.89Å; E86-R92 IonicContact OE1-NH2 2.86Å; E86-R92 PolarHBondContact OE1-NH2 2.89Å; E86-R92 IonicContact OE2-NH2 2.79Å; R92-F94 HydrophobicContact CB-CE2 3.99Å; R92-N108 WeakPolarHBondContact CA-OD1 2.92Å; R92-E120 IonicContact CZ-OE2 3.26Å; R92-E120 IonicContact NH1-OE2 3.35Å; R92-E120 PolarHBondContact NH1-OE2 3.06Å
93	S	93.8	Very high	89.1	Confident	23 Å²	23	47 Å²	47	16%	0.161	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.9	176.5	54	0	0	0	0	110.7	M82 I107 N108	M82-S93 CarbonylContact O-C 3.6Å; M82-S93 WeakPolarHBondContact O-CA 3.11Å; S93-I107 CarbonylContact O-C 3.38Å; S93-I107 WeakPolarHBondContact O-CA 3.16Å; S93-N108 PolarHBondContact N-OD1 3.29Å; S93-N108 PolarHBondContact O-N 2.63Å; S93-N108 VanDerWaalsContact OG-CA 3.29Å; S93-N108 WeakPolarHBondContact OG-CA 2.93Å; S93-N108 PolarHBondContact OG-OD1 3.19Å
94	F	95.4	Very high	89.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.6	174.8	-70.1	-90.2	0	0	0	108	V48 S81 M82 R92 I107 Y117 E120 L121 L124	V48-F94 HydrophobicContact CG2-CB 4.49Å; V48-F94 WeakPolarHBondContact CG2-O 2.95Å; S81-F94 CarbonylContact C-O 3.58Å; S81-F94 WeakPolarHBondContact CA-O 2.98Å; M82-F94 HydrophobicContact CB-CB 4.36Å; M82-F94 HydrophobicContact CE-CB 4.06Å; M82-F94 HydrophobicContact CE-CD2 3.62Å; M82-F94 HydrophobicContact CE-CE2 4.33Å; M82-F94 HydrophobicContact CE-CG 4.03Å; M82-F94 PolarHBondContact N-O 3.45Å; M82-F94 PolarHBondContact O-N 3.48Å; R92-F94 HydrophobicContact CB-CE2 3.99Å; F94-I107 HydrophobicContact CD1-CD1 4.42Å; F94-I107 HydrophobicContact CD1-CG1 4Å; F94-I107 HydrophobicContact CE1-CD1 4.04Å; F94-I107 HydrophobicContact CE1-CG1 4.07Å; F94-Y117 HydrophobicContact CB-CE2 4.18Å; F94-Y117 WeakPolarHBondContact CB-OH 3.43Å; F94-Y117 HydrophobicContact CD1-CD2 4.32Å; F94-Y117 AromaticContact CD1-CE2 3.79Å; F94-Y117 HydrophobicContact CD1-CE2 3.79Å; F94-Y117 AromaticContact CD1-CZ 3.96Å; F94-Y117 HydrophobicContact CG-CE2 4.49Å; F94-E120 HydrophobicContact CE1-CB 4.11Å; F94-E120 HydrophobicContact CZ-CB 4.46Å; F94-L121 HydrophobicContact CD1-CD2 3.83Å; F94-L121 HydrophobicContact CD1-CG 4.09Å; F94-L121 HydrophobicContact CD2-CD2 4.37Å; F94-L121 HydrophobicContact CE1-CD2 3.76Å; F94-L121 HydrophobicContact CE1-CG 3.91Å; F94-L121 HydrophobicContact CE2-CD2 4.31Å; F94-L121 HydrophobicContact CG-CD2 4.14Å; F94-L121 HydrophobicContact CZ-CD2 4Å; F94-L124 HydrophobicContact CE2-CD1 3.64Å; F94-L124 HydrophobicContact CZ-CD1 3.68Å
95	T	95.7	Very high	89.2	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135	-176.3	-50.6	0	0	0	0	111.1	F79 V80 S81 V97 R106	F79-T95 HydrophobicContact CB-CG2 4.3Å; F79-T95 HydrophobicContact CD2-CG2 3.99Å; F79-T95 HydrophobicContact CG-CG2 4.44Å; V80-T95 WeakPolarHBondContact O-CA 3.42Å; S81-T95 WeakPolarHBondContact CB-OG1 3.33Å; S81-T95 PolarHBondContact OG-OG1 3.29Å; T95-V97 HydrophobicContact CG2-CG2 3.98Å; T95-R106 PolarHBondContact N-O 3.01Å; T95-R106 PolarHBondContact O-N 3.4Å
96	R	94.7	Very high	89.3	Confident	10 Å²	10	50.9 Å²	50.9	4%	0.038	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.5	169	-165.6	-179.7	179.7	-178.1	-0.2	109.6	F47 E51 F79 V80 S103 E104 Y105	F47-R96 HydrophobicContact CD1-CB 4.18Å; F47-R96 HydrophobicContact CD1-CG 4.41Å; F47-R96 HydrophobicContact CE1-CB 3.68Å; F47-R96 HydrophobicContact CE1-CG 3.71Å; F47-R96 WeakPolarHBondContact CE1-O 3.18Å; F47-R96 VanDerWaalsContact CE2-CD 3.5Å; F47-R96 HydrophobicContact CE2-CG 4.08Å; F47-R96 HydrophobicContact CZ-CB 4.03Å; F47-R96 VanDerWaalsContact CZ-CD 3.45Å; F47-R96 HydrophobicContact CZ-CG 3.5Å; F47-R96 VanDerWaalsContact CZ-CG 3.5Å; F47-R96 WeakPolarHBondContact O-CD 3.42Å; F47-R96 PolarHBondContact O-NH1 3.41Å; E51-R96 PolarHBondContact O-NH1 2.95Å; F79-R96 WeakPolarHBondContact CA-O 2.92Å; V80-R96 PolarHBondContact N-O 3.45Å; V80-R96 PolarHBondContact O-N 3.07Å; R96-S103 PolarHBondContact NE-OG 3.36Å; R96-S103 PolarHBondContact NH2-OG 3.31Å; R96-E104 WeakPolarHBondContact CA-O 3.19Å; R96-Y105 HydrophobicContact CG-CD1 4.01Å; R96-Y105 HydrophobicContact CG-CE1 3.94Å; R96-Y105 PolarHBondContact NH2-OH 3.14Å; R96-Y105 VanDerWaalsContact NH2-OH 3.13Å
97	V	93.9	Very high	89.7	Confident	11 Å²	11	50.3 Å²	50.3	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.9	-176.2	-171.9	0	0	0	0	109.4	F79 T95 I99 S103 E104	F79-V97 HydrophobicContact CB-CB 4.29Å; F79-V97 HydrophobicContact CB-CG1 4.27Å; F79-V97 HydrophobicContact CB-CG2 3.91Å; T95-V97 HydrophobicContact CG2-CG2 3.98Å; V97-I99 HydrophobicContact CG1-CD1 4.39Å; V97-I99 HydrophobicContact CG1-CG1 3.96Å; V97-S103 CarbonylContact O-C 3.54Å; V97-S103 WeakPolarHBondContact O-CA 3.46Å; V97-S103 WeakPolarHBondContact O-CB 3.36Å; V97-E104 HydrophobicContact CB-CB 4.49Å; V97-E104 PolarHBondContact N-O 3.28Å; V97-E104 PolarHBondContact O-N 3.46Å
98	I	92.5	Very high	90.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.9	173.3	-54.1	179.1	0	0	0	108.3	F12 F47 L64 I65 R77 A78	F12-I98 HydrophobicContact CE2-CD1 4.46Å; F47-I98 HydrophobicContact CE1-CD1 4.24Å; F47-I98 HydrophobicContact CE1-CG1 4Å; F47-I98 HydrophobicContact CE2-CD1 4.09Å; F47-I98 HydrophobicContact CE2-CG1 4Å; F47-I98 HydrophobicContact CZ-CD1 3.72Å; F47-I98 HydrophobicContact CZ-CG1 3.31Å; L64-I98 HydrophobicContact CB-CD1 3.51Å; L64-I98 HydrophobicContact CD1-CD1 3.86Å; L64-I98 HydrophobicContact CG-CD1 4.31Å; I65-I98 HydrophobicContact CD1-CG2 4.17Å; I65-I98 HydrophobicContact CG1-CG2 4.25Å; R77-I98 WeakPolarHBondContact CA-O 3.31Å; A78-I98 HydrophobicContact CB-CD1 4.36Å; A78-I98 PolarHBondContact O-N 2.99Å
99	I	86.6	Confident	90.3	Very high	78 Å²	78	49.2 Å²	49.2	40%	0.4	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	104.1	178.3	-55.4	178.2	0	0	0	107.9	V97 A101 S102 E104	V97-I99 HydrophobicContact CG1-CD1 4.39Å; V97-I99 HydrophobicContact CG1-CG1 3.96Å; I99-A101 PolarHBondContact O-N 3.28Å; I99-A101 VanDerWaalsContact O-N 3.13Å; I99-S102 PolarHBondContact N-O 3.15Å; I99-S102 PolarHBondContact O-N 2.94Å; I99-S102 VanDerWaalsContact O-N 3.09Å; I99-S102 PolarHBondContact O-OG 3.25Å; I99-S102 VanDerWaalsContact O-OG 3.13Å; I99-E104 HydrophobicContact CD1-CB 4.35Å; I99-E104 VanDerWaalsContact CD1-OE2 3.26Å; I99-E104 WeakPolarHBondContact CD1-OE2 3.19Å
100	G	79.6	Confident	90.9	Very high	34 Å²	34	54.6 Å²	54.6	35%	0.351	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-118.4	-176.2	0	0	0	0	0	111.6	K62	K62-G100 WeakPolarHBondContact CE-O 3.28Å; K62-G100 WeakPolarHBondContact CG-O 3.42Å
101	A	77.9	Confident	91.1	Very high	77 Å²	77	53.4 Å²	53.4	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.2	179.6	0	0	0	0	0	114.2	I99	I99-A101 PolarHBondContact O-N 3.28Å; I99-A101 VanDerWaalsContact O-N 3.13Å
102	S	84.9	Confident	91.3	Very high	73 Å²	73	49.5 Å²	49.5	51%	0.51	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	169.9	-176.7	58.2	0	0	0	0	111.8	I99	I99-S102 PolarHBondContact N-O 3.15Å; I99-S102 PolarHBondContact O-N 2.94Å; I99-S102 VanDerWaalsContact O-N 3.09Å; I99-S102 PolarHBondContact O-OG 3.25Å; I99-S102 VanDerWaalsContact O-OG 3.13Å
103	S	89.8	Confident	91.3	Very high	28 Å²	28	48.4 Å²	48.4	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.1	172	65.9	0	0	0	0	111.3	R96 V97	R96-S103 PolarHBondContact NE-OG 3.36Å; R96-S103 PolarHBondContact NH2-OG 3.31Å; V97-S103 CarbonylContact O-C 3.54Å; V97-S103 WeakPolarHBondContact O-CA 3.46Å; V97-S103 WeakPolarHBondContact O-CB 3.36Å
104	E	93.7	Very high	91.1	Very high	44 Å²	44	50.8 Å²	50.8	21%	0.206	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.5	176.6	-171.4	-171.4	133	0	0	109.6	R96 V97 I99 R106 V111	R96-E104 WeakPolarHBondContact CA-O 3.19Å; V97-E104 HydrophobicContact CB-CB 4.49Å; V97-E104 PolarHBondContact N-O 3.28Å; V97-E104 PolarHBondContact O-N 3.46Å; I99-E104 HydrophobicContact CD1-CB 4.35Å; I99-E104 VanDerWaalsContact CD1-OE2 3.26Å; I99-E104 WeakPolarHBondContact CD1-OE2 3.19Å; E104-R106 IonicContact OE1-CZ 3.44Å; E104-R106 IonicContact OE1-NE 3.4Å; E104-R106 PolarHBondContact OE1-NE 3.43Å; E104-R106 IonicContact OE1-NH2 2.68Å; E104-R106 PolarHBondContact OE1-NH2 2.76Å; E104-R106 IonicContact OE2-NH2 3.4Å; E104-R106 PolarHBondContact OE2-NH2 2.98Å; E104-V111 HydrophobicContact CG-CG1 3.63Å; E104-V111 WeakPolarHBondContact OE1-CG2 3.25Å
105	Y	95.1	Very high	90.8	Very high	30 Å²	30	55.7 Å²	55.7	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.3	179.2	-57.9	-87.4	0	0	0	109.9	A50 R96 V111 V112 L114 Y117	A50-Y105 HydrophobicContact CB-CE1 3.87Å; R96-Y105 HydrophobicContact CG-CD1 4.01Å; R96-Y105 HydrophobicContact CG-CE1 3.94Å; R96-Y105 PolarHBondContact NH2-OH 3.14Å; R96-Y105 VanDerWaalsContact NH2-OH 3.13Å; Y105-V111 WeakPolarHBondContact O-CA 2.8Å; Y105-V112 PolarHBondContact O-N 3.18Å; Y105-L114 HydrophobicContact CD2-CB 4.27Å; Y105-L114 HydrophobicContact CE1-CD1 3.95Å; Y105-L114 HydrophobicContact CE2-CB 3.95Å; Y105-L114 HydrophobicContact CE2-CD1 4.09Å; Y105-L114 HydrophobicContact CE2-CG 4.49Å; Y105-Y117 AromaticContact CD1-CD1 3.85Å; Y105-Y117 HydrophobicContact CD1-CD1 3.85Å; Y105-Y117 HydrophobicContact CD1-CD2 4.33Å; Y105-Y117 AromaticContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE2 4.4Å; Y105-Y117 HydrophobicContact CD1-CG 4.03Å; Y105-Y117 HydrophobicContact CE1-CD1 4.49Å; Y105-Y117 HydrophobicContact CG-CD2 4.43Å; Y105-Y117 HydrophobicContact CG-CG 4.25Å
106	R	95.3	Very high	90.6	Very high	74 Å²	74	60.4 Å²	60.4	28%	0.279	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.4	178.6	-54.9	179.6	178.5	175.5	-0.4	111.9	T95 E104 K110 V111 Y117	T95-R106 PolarHBondContact N-O 3.01Å; T95-R106 PolarHBondContact O-N 3.4Å; E104-R106 IonicContact OE1-CZ 3.44Å; E104-R106 IonicContact OE1-NE 3.4Å; E104-R106 PolarHBondContact OE1-NE 3.43Å; E104-R106 IonicContact OE1-NH2 2.68Å; E104-R106 PolarHBondContact OE1-NH2 2.76Å; E104-R106 IonicContact OE2-NH2 3.4Å; E104-R106 PolarHBondContact OE2-NH2 2.98Å; R106-K110 CarbonylContact C-O 3.52Å; R106-K110 WeakPolarHBondContact CA-O 3.12Å; R106-K110 WeakPolarHBondContact CB-O 3.41Å; R106-V111 HydrophobicContact CG-CG2 4.34Å; R106-Y117 WeakPolarHBondContact O-CE2 3.07Å
107	I	94.2	Very high	90.5	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.097	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125	169	-59	176.1	0	0	0	107.4	S93 F94 N109 K110 V112 Y117 E120	S93-I107 CarbonylContact O-C 3.38Å; S93-I107 WeakPolarHBondContact O-CA 3.16Å; F94-I107 HydrophobicContact CD1-CD1 4.42Å; F94-I107 HydrophobicContact CD1-CG1 4Å; F94-I107 HydrophobicContact CE1-CD1 4.04Å; F94-I107 HydrophobicContact CE1-CG1 4.07Å; I107-N109 PolarHBondContact O-N 2.78Å; I107-K110 PolarHBondContact N-O 2.53Å; I107-K110 WeakPolarHBondContact O-CB 2.69Å; I107-K110 PolarHBondContact O-N 2.96Å; I107-V112 HydrophobicContact CD1-CG2 4.05Å; I107-V112 HydrophobicContact CG1-CG2 3.89Å; I107-Y117 HydrophobicContact CD1-CD2 4.15Å; I107-Y117 HydrophobicContact CG1-CD2 3.71Å; I107-Y117 HydrophobicContact CG1-CE2 4.11Å; I107-E120 HydrophobicContact CD1-CB 3.77Å; I107-E120 HydrophobicContact CD1-CG 3.75Å
108	N	92.3	Very high	90.3	Very high	77 Å²	77	60.5 Å²	60.5	41%	0.412	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	45.2	-178.4	-64	-23.6	0	0	0	112.3	R92 S93 K110	R92-N108 WeakPolarHBondContact CA-OD1 2.92Å; S93-N108 PolarHBondContact N-OD1 3.29Å; S93-N108 PolarHBondContact O-N 2.63Å; S93-N108 VanDerWaalsContact OG-CA 3.29Å; S93-N108 WeakPolarHBondContact OG-CA 2.93Å; S93-N108 PolarHBondContact OG-OD1 3.19Å; N108-K110 PolarHBondContact O-N 2.58Å; N108-K110 VanDerWaalsContact O-N 3.13Å
109	N	88.3	Confident	90.1	Very high	121 Å²	121	65.6 Å²	65.6	65%	0.647	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	5.9	-175	-66.8	-36.4	0	0	0	116.6	I107	I107-N109 PolarHBondContact O-N 2.78Å
110	K	92.8	Very high	90.2	Very high	157 Å²	157	63.7 Å²	63.7	68%	0.683	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	133	172.9	-64.2	-176.3	-179.4	177.9	0	111.1	R106 I107 N108	R106-K110 CarbonylContact C-O 3.52Å; R106-K110 WeakPolarHBondContact CA-O 3.12Å; R106-K110 WeakPolarHBondContact CB-O 3.41Å; I107-K110 PolarHBondContact N-O 2.53Å; I107-K110 WeakPolarHBondContact O-CB 2.69Å; I107-K110 PolarHBondContact O-N 2.96Å; N108-K110 PolarHBondContact O-N 2.58Å; N108-K110 VanDerWaalsContact O-N 3.13Å
111	V	93.4	Very high	90.6	Very high	94 Å²	94	62.1 Å²	62.1	57%	0.57	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.2	178.2	-170.6	0	0	0	0	110.3	E104 Y105 R106	E104-V111 HydrophobicContact CG-CG1 3.63Å; E104-V111 WeakPolarHBondContact OE1-CG2 3.25Å; Y105-V111 WeakPolarHBondContact O-CA 2.8Å; R106-V111 HydrophobicContact CG-CG2 4.34Å
112	V	94.8	Very high	91	Very high	20 Å²	20	61.1 Å²	61.1	12%	0.121	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.2	-179.9	-63.9	0	0	0	0	111	Y105 I107 E116 Y117	Y105-V112 PolarHBondContact O-N 3.18Å; I107-V112 HydrophobicContact CD1-CG2 4.05Å; I107-V112 HydrophobicContact CG1-CG2 3.89Å; V112-E116 HydrophobicContact CB-CB 4.41Å; V112-E116 HydrophobicContact CB-CG 4.32Å; V112-E116 HydrophobicContact CG1-CG 4.39Å; V112-Y117 HydrophobicContact CG2-CD2 3.87Å; V112-Y117 HydrophobicContact CG2-CG 4.43Å
113	G	92.3	Very high	91.1	Very high	38 Å²	38	63.7 Å²	63.7	39%	0.392	33%	0.33	S	S	.	.			trans	-73.7	158.5	171.9	0	0	0	0	0	112	P115 E116 Y117	G113-P115 VanDerWaalsContact C-CD 3.43Å; G113-E116 PolarHBondContact O-N 2.89Å; G113-Y117 WeakPolarHBondContact O-CB 3.12Å; G113-Y117 PolarHBondContact O-N 2.66Å
114	L	89	Confident	90.9	Very high	74 Å²	74	63.7 Å²	63.7	39%	0.387	33%	0.328	S	S	.	.	H	α-helix	trans	-55.5	-39.4	174.4	177.5	64.3	0	0	0	113.9	A50 Y105 Y117 S118	A50-L114 HydrophobicContact CB-CD1 3.86Å; Y105-L114 HydrophobicContact CD2-CB 4.27Å; Y105-L114 HydrophobicContact CE1-CD1 3.95Å; Y105-L114 HydrophobicContact CE2-CB 3.95Å; Y105-L114 HydrophobicContact CE2-CD1 4.09Å; Y105-L114 HydrophobicContact CE2-CG 4.49Å; L114-Y117 PolarHBondContact O-N 3.46Å; L114-S118 WeakPolarHBondContact O-CB 2.72Å; L114-S118 PolarHBondContact O-N 3.12Å; L114-S118 PolarHBondContact O-OG 3.18Å
115	P	89.6	Confident	90.3	Very high	103 Å²	103	62.5 Å²	62.5	67%	0.669	33%	0.328	S	S	*	.	H	α-helix	trans	-61	-48	177.8	-24.2	35.1	0	0	0	112.9	G113 S118 E119	G113-P115 VanDerWaalsContact C-CD 3.43Å; P115-S118 PolarHBondContact O-N 3.29Å; P115-E119 WeakPolarHBondContact O-CB 3.28Å; P115-E119 PolarHBondContact O-N 2.83Å
116	E	91.8	Very high	89.8	Confident	106 Å²	106	61.1 Å²	61.1	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-42.5	176.9	-176.1	-179.8	-174	0	0	111.2	V112 G113 S118 E119 E120	V112-E116 HydrophobicContact CB-CB 4.41Å; V112-E116 HydrophobicContact CB-CG 4.32Å; V112-E116 HydrophobicContact CG1-CG 4.39Å; G113-E116 PolarHBondContact O-N 2.89Å; E116-S118 VanDerWaalsContact C-N 3.32Å; E116-S118 PolarHBondContact O-N 3.39Å; E116-E119 PolarHBondContact O-N 3.41Å; E116-E120 PolarHBondContact O-N 2.8Å
117	Y	92.3	Very high	89.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-41.6	174.9	-167.9	-93.4	0	0	0	112.9	V48 A50 F94 Y105 R106 I107 V112 G113 L114 L121	V48-Y117 WeakPolarHBondContact O-CE1 3.4Å; V48-Y117 PolarHBondContact O-OH 2.91Å; A50-Y117 HydrophobicContact CB-CD1 4.26Å; A50-Y117 HydrophobicContact CB-CE1 4.17Å; F94-Y117 HydrophobicContact CB-CE2 4.18Å; F94-Y117 WeakPolarHBondContact CB-OH 3.43Å; F94-Y117 HydrophobicContact CD1-CD2 4.32Å; F94-Y117 AromaticContact CD1-CE2 3.79Å; F94-Y117 HydrophobicContact CD1-CE2 3.79Å; F94-Y117 AromaticContact CD1-CZ 3.96Å; F94-Y117 HydrophobicContact CG-CE2 4.49Å; Y105-Y117 AromaticContact CD1-CD1 3.85Å; Y105-Y117 HydrophobicContact CD1-CD1 3.85Å; Y105-Y117 HydrophobicContact CD1-CD2 4.33Å; Y105-Y117 AromaticContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE2 4.4Å; Y105-Y117 HydrophobicContact CD1-CG 4.03Å; Y105-Y117 HydrophobicContact CE1-CD1 4.49Å; Y105-Y117 HydrophobicContact CG-CD2 4.43Å; Y105-Y117 HydrophobicContact CG-CG 4.25Å; R106-Y117 WeakPolarHBondContact O-CE2 3.07Å; I107-Y117 HydrophobicContact CD1-CD2 4.15Å; I107-Y117 HydrophobicContact CG1-CD2 3.71Å; I107-Y117 HydrophobicContact CG1-CE2 4.11Å; V112-Y117 HydrophobicContact CG2-CD2 3.87Å; V112-Y117 HydrophobicContact CG2-CG 4.43Å; G113-Y117 WeakPolarHBondContact O-CB 3.12Å; G113-Y117 PolarHBondContact O-N 2.66Å; L114-Y117 PolarHBondContact O-N 3.46Å; Y117-L121 HydrophobicContact CD1-CD1 3.75Å; Y117-L121 HydrophobicContact CE1-CD1 3.47Å; Y117-L121 VanDerWaalsContact CE1-CD1 3.47Å; Y117-L121 HydrophobicContact CE1-CG 4.42Å; Y117-L121 WeakPolarHBondContact O-CG 3.21Å; Y117-L121 PolarHBondContact O-N 2.88Å
118	S	89.4	Confident	88.4	Confident	24 Å²	24	58.5 Å²	58.5	17%	0.168	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-41.6	177.7	-55.6	0	0	0	0	111.5	L114 P115 E116 E120 L121 E122	L114-S118 WeakPolarHBondContact O-CB 2.72Å; L114-S118 PolarHBondContact O-N 3.12Å; L114-S118 PolarHBondContact O-OG 3.18Å; P115-S118 PolarHBondContact O-N 3.29Å; E116-S118 VanDerWaalsContact C-N 3.32Å; E116-S118 PolarHBondContact O-N 3.39Å; S118-E120 PolarHBondContact O-N 3.33Å; S118-L121 PolarHBondContact O-N 3.42Å; S118-E122 WeakPolarHBondContact O-CB 3.08Å; S118-E122 VanDerWaalsContact O-CG 3.28Å; S118-E122 WeakPolarHBondContact O-CG 3.27Å; S118-E122 PolarHBondContact O-N 3.35Å
119	E	88.4	Confident	87.4	Confident	107 Å²	107	62.9 Å²	62.9	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-41.2	179.1	-167.9	-174.5	154.5	0	0	112	P115 E116 E122 K123	P115-E119 WeakPolarHBondContact O-CB 3.28Å; P115-E119 PolarHBondContact O-N 2.83Å; E116-E119 PolarHBondContact O-N 3.41Å; E119-E122 PolarHBondContact O-N 2.83Å; E119-K123 WeakPolarHBondContact O-CG 3.19Å; E119-K123 PolarHBondContact O-N 3.22Å; E119-K123 IonicContact OE1-NZ 3.95Å
120	E	89.9	Confident	86.4	Confident	38 Å²	38	57.7 Å²	57.7	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-36.4	175.5	-72.8	-60.2	133.1	0	0	112.8	R92 F94 I107 E116 S118 K123	R92-E120 IonicContact CZ-OE2 3.26Å; R92-E120 IonicContact NH1-OE2 3.35Å; R92-E120 PolarHBondContact NH1-OE2 3.06Å; F94-E120 HydrophobicContact CE1-CB 4.11Å; F94-E120 HydrophobicContact CZ-CB 4.46Å; I107-E120 HydrophobicContact CD1-CB 3.77Å; I107-E120 HydrophobicContact CD1-CG 3.75Å; E116-E120 PolarHBondContact O-N 2.8Å; S118-E120 PolarHBondContact O-N 3.33Å; E120-K123 PolarHBondContact O-N 3.36Å; E120-K123 IonicContact OE1-NZ 3.11Å; E120-K123 PolarHBondContact OE1-NZ 3.49Å
121	L	88.7	Confident	85.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-38.6	171.6	-73.9	172.5	0	0	0	111.8	L49 M82 F94 Y117 S118 K123 L124 G125 I126 I128	L49-L121 HydrophobicContact CD2-CD1 4.37Å; L49-L121 HydrophobicContact CD2-CD2 4Å; M82-L121 HydrophobicContact CE-CD2 4.09Å; F94-L121 HydrophobicContact CD1-CD2 3.83Å; F94-L121 HydrophobicContact CD1-CG 4.09Å; F94-L121 HydrophobicContact CD2-CD2 4.37Å; F94-L121 HydrophobicContact CE1-CD2 3.76Å; F94-L121 HydrophobicContact CE1-CG 3.91Å; F94-L121 HydrophobicContact CE2-CD2 4.31Å; F94-L121 HydrophobicContact CG-CD2 4.14Å; F94-L121 HydrophobicContact CZ-CD2 4Å; Y117-L121 HydrophobicContact CD1-CD1 3.75Å; Y117-L121 HydrophobicContact CE1-CD1 3.47Å; Y117-L121 VanDerWaalsContact CE1-CD1 3.47Å; Y117-L121 HydrophobicContact CE1-CG 4.42Å; Y117-L121 WeakPolarHBondContact O-CG 3.21Å; Y117-L121 PolarHBondContact O-N 2.88Å; S118-L121 PolarHBondContact O-N 3.42Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 2.8Å; L121-L124 WeakPolarHBondContact O-CB 3.49Å; L121-L124 PolarHBondContact O-N 2.79Å; L121-L124 VanDerWaalsContact O-N 3.09Å; L121-G125 PolarHBondContact O-N 2.62Å; L121-I126 CarbonylContact C-O 3.6Å; L121-I126 HydrophobicContact CB-CB 4.3Å; L121-I126 HydrophobicContact CB-CG2 4.48Å; L121-I126 HydrophobicContact CD2-CD1 4.05Å; L121-I126 WeakPolarHBondContact O-CB 3.24Å; L121-I126 PolarHBondContact O-N 3.39Å; L121-I128 HydrophobicContact CB-CD1 4.37Å; L121-I128 HydrophobicContact CD1-CD1 3.85Å; L121-I128 HydrophobicContact CD1-CG1 4.35Å
122	E	85.6	Confident	84.7	Confident	56 Å²	56	51 Å²	51	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-36.5	176.3	-75.2	-177.6	-169.8	0	0	112.1	S118 E119 L124 G125 L127 R160	S118-E122 WeakPolarHBondContact O-CB 3.08Å; S118-E122 VanDerWaalsContact O-CG 3.28Å; S118-E122 WeakPolarHBondContact O-CG 3.27Å; S118-E122 PolarHBondContact O-N 3.35Å; E119-E122 PolarHBondContact O-N 2.83Å; E122-L124 PolarHBondContact O-N 3.47Å; E122-G125 PolarHBondContact O-N 3.37Å; E122-L127 HydrophobicContact CG-CD2 4.08Å; E122-R160 IonicContact OE2-NH1 2.98Å
123	K	86.6	Confident	83.9	Confident	128 Å²	128	50.1 Å²	50.1	56%	0.557	26%	0.259	S	S	*	.	H	α-helix	trans	-60.2	-29.1	172.9	-74.5	172.4	-170.1	168.4	0	112.6	E119 E120 L121 G125	E119-K123 WeakPolarHBondContact O-CG 3.19Å; E119-K123 PolarHBondContact O-N 3.22Å; E119-K123 IonicContact OE1-NZ 3.95Å; E120-K123 PolarHBondContact O-N 3.36Å; E120-K123 IonicContact OE1-NZ 3.11Å; E120-K123 PolarHBondContact OE1-NZ 3.49Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 2.8Å; K123-G125 VanDerWaalsContact C-N 3.27Å
124	L	85.4	Confident	83.4	Confident	27 Å²	27	48.6 Å²	48.6	14%	0.141	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.7	174.1	-59	178.5	0	0	0	113.2	Y84 F94 L121 E122 I126 P1150	Y84-L124 HydrophobicContact CD1-CD1 3.91Å; Y84-L124 HydrophobicContact CD1-CD2 4.29Å; Y84-L124 HydrophobicContact CE1-CD1 4.04Å; Y84-L124 HydrophobicContact CE1-CD2 3.76Å; Y84-L124 HydrophobicContact CE1-CG 4.42Å; Y84-L124 HydrophobicContact CG-CD1 4.37Å; F94-L124 HydrophobicContact CE2-CD1 3.64Å; F94-L124 HydrophobicContact CZ-CD1 3.68Å; L121-L124 WeakPolarHBondContact O-CB 3.49Å; L121-L124 PolarHBondContact O-N 2.79Å; L121-L124 VanDerWaalsContact O-N 3.09Å; E122-L124 PolarHBondContact O-N 3.47Å; L124-I126 HydrophobicContact CB-CD1 4.4Å; L124-I126 HydrophobicContact CB-CG1 4.43Å; L124-P1150 WeakPolarHBondContact O-CD 3.44Å; L124-P1150 WeakPolarHBondContact O-CG 3.24Å
125	G	81	Confident	83	Confident	20 Å²	20	45.2 Å²	45.2	21%	0.206	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	8.2	-177.8	0	0	0	0	0	114.7	L121 E122 K123 L127 N132	L121-G125 PolarHBondContact O-N 2.62Å; E122-G125 PolarHBondContact O-N 3.37Å; K123-G125 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 2.65Å; G125-N132 PolarHBondContact O-ND2 3.21Å
126	I	86.1	Confident	82.5	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.			trans	-93.5	97.1	-179.4	-57.7	175	0	0	0	108.9	L49 L121 L124 I128 F133 P1150 F1151	L49-I126 HydrophobicContact CD2-CD1 4.29Å; L49-I126 HydrophobicContact CD2-CG2 4.19Å; L121-I126 CarbonylContact C-O 3.6Å; L121-I126 HydrophobicContact CB-CB 4.3Å; L121-I126 HydrophobicContact CB-CG2 4.48Å; L121-I126 HydrophobicContact CD2-CD1 4.05Å; L121-I126 WeakPolarHBondContact O-CB 3.24Å; L121-I126 PolarHBondContact O-N 3.39Å; L124-I126 HydrophobicContact CB-CD1 4.4Å; L124-I126 HydrophobicContact CB-CG1 4.43Å; I126-I128 PolarHBondContact O-N 2.8Å; I126-F133 HydrophobicContact CB-CD1 4.4Å; I126-F133 HydrophobicContact CB-CE1 4.4Å; I126-F133 HydrophobicContact CG2-CD1 3.61Å; I126-F133 HydrophobicContact CG2-CD2 4.2Å; I126-F133 HydrophobicContact CG2-CE1 3.29Å; I126-F133 HydrophobicContact CG2-CE2 3.93Å; I126-F133 HydrophobicContact CG2-CG 4.08Å; I126-F133 HydrophobicContact CG2-CZ 3.48Å; I126-F133 VanDerWaalsContact CG2-CZ 3.48Å; I126-P1150 HydrophobicContact CD1-CG 4.24Å; I126-P1150 HydrophobicContact CG1-CG 4.1Å; I126-F1151 HydrophobicContact CD1-CE1 3.76Å; I126-F1151 HydrophobicContact CD1-CZ 3.99Å
127	L	82	Confident	81.5	Confident	18 Å²	18	41.7 Å²	41.7	9%	0.094	20%	0.198	C	C	.	.			trans	-89.4	95.5	-179.6	-59.9	174.7	0	0	0	110.8	E122 G125 K129 A130 R131 N132 K1147	E122-L127 HydrophobicContact CG-CD2 4.08Å; G125-L127 PolarHBondContact O-N 2.65Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.17Å; L127-A130 HydrophobicContact CB-CB 4Å; L127-A130 HydrophobicContact CD1-CB 4.3Å; L127-A130 PolarHBondContact O-N 2.92Å; L127-R131 PolarHBondContact O-N 2.69Å; L127-N132 WeakPolarHBondContact CB-OD1 3.1Å; L127-N132 PolarHBondContact N-OD1 3.49Å; L127-K1147 HydrophobicContact CD1-CD 3.85Å
128	I	76.5	Confident	80.4	Confident	21 Å²	21	44.4 Å²	44.4	11%	0.108	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-38.3	-175.9	-56.7	161.2	0	0	0	112.1	A50 L121 I126	A50-I128 HydrophobicContact CB-CD1 4.23Å; L121-I128 HydrophobicContact CB-CD1 4.37Å; L121-I128 HydrophobicContact CD1-CD1 3.85Å; L121-I128 HydrophobicContact CD1-CG1 4.35Å; I126-I128 PolarHBondContact O-N 2.8Å
129	K	71.1	Confident	79.4	Confident	168 Å²	168	44.4 Å²	44.4	73%	0.73	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-41.8	-179.6	-67.7	-178.9	-177	170.1	0	113.1	L127	L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.17Å
130	A	67.4	Low	78.6	Confident	13 Å²	13	39.8 Å²	39.8	11%	0.107	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.7	-175	0	0	0	0	0	113.6	L127 N132 I158	L127-A130 HydrophobicContact CB-CB 4Å; L127-A130 HydrophobicContact CD1-CB 4.3Å; L127-A130 PolarHBondContact O-N 2.92Å; A130-N132 VanDerWaalsContact C-N 3.29Å; A130-N132 PolarHBondContact O-N 3.43Å; A130-I158 HydrophobicContact CB-CG1 3.9Å
131	R	74.9	Confident	77.7	Confident	98 Å²	98	41.3 Å²	41.3	37%	0.37	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	40.8	178.9	-56.6	179.4	175.9	162.8	2.6	113.8	E51 N55 L127 F133	E51-R131 WeakPolarHBondContact OE1-CG 3.43Å; E51-R131 IonicContact OE1-CZ 3.4Å; E51-R131 IonicContact OE1-NE 3.38Å; E51-R131 PolarHBondContact OE1-NE 3.39Å; E51-R131 IonicContact OE1-NH2 2.68Å; E51-R131 IonicContact OE2-NH2 2.68Å; N55-R131 PolarHBondContact ND2-NH2 2.85Å; N55-R131 PolarHBondContact OD1-NH2 3.42Å; L127-R131 PolarHBondContact O-N 2.69Å; R131-F133 PolarHBondContact O-N 3.24Å
132	N	76	Confident	76.9	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.064	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	9.7	-177.8	67.9	-41.9	0	0	0	114.8	G125 L127 A130 K1147 F1152	G125-N132 PolarHBondContact O-ND2 3.21Å; L127-N132 WeakPolarHBondContact CB-OD1 3.1Å; L127-N132 PolarHBondContact N-OD1 3.49Å; A130-N132 VanDerWaalsContact C-N 3.29Å; A130-N132 PolarHBondContact O-N 3.43Å; N132-K1147 PolarHBondContact ND2-O 3.42Å; N132-F1152 VanDerWaalsContact O-CE2 3.3Å; N132-F1152 WeakPolarHBondContact O-CE2 3.46Å
133	F	78	Confident	76.4	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-11	-172.9	60.8	-85.3	0	0	0	114.7	L49 I126 R131 A1149 F1151 V1153	L49-F133 HydrophobicContact CB-CE2 4.04Å; L49-F133 HydrophobicContact CB-CZ 4.24Å; L49-F133 HydrophobicContact CD1-CD2 3.84Å; L49-F133 HydrophobicContact CD1-CE2 3.3Å; L49-F133 HydrophobicContact CD1-CZ 4.24Å; L49-F133 HydrophobicContact CG-CE2 4.15Å; I126-F133 HydrophobicContact CB-CD1 4.4Å; I126-F133 HydrophobicContact CB-CE1 4.4Å; I126-F133 HydrophobicContact CG2-CD1 3.61Å; I126-F133 HydrophobicContact CG2-CD2 4.2Å; I126-F133 HydrophobicContact CG2-CE1 3.29Å; I126-F133 HydrophobicContact CG2-CE2 3.93Å; I126-F133 HydrophobicContact CG2-CG 4.08Å; I126-F133 HydrophobicContact CG2-CZ 3.48Å; I126-F133 VanDerWaalsContact CG2-CZ 3.48Å; R131-F133 PolarHBondContact O-N 3.24Å; F133-A1149 HydrophobicContact CB-CB 3.68Å; F133-F1151 HydrophobicContact CD2-CE2 4.46Å; F133-V1153 PolarHBondContact O-N 3.28Å
134	L	81	Confident	75.7	Confident	7 Å²	7	37.2 Å²	37.2	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131	-177	-82.1	167.6	0	0	0	111.3	M42 I45 L49 E51 V1153	M42-L134 HydrophobicContact CE-CB 4.39Å; M42-L134 HydrophobicContact CE-CD2 3.4Å; M42-L134 VanDerWaalsContact CE-CD2 3.4Å; M42-L134 HydrophobicContact CE-CG 4.45Å; M42-L134 HydrophobicContact SD-CD2 3.72Å; I45-L134 HydrophobicContact CG2-CD2 4.14Å; L49-L134 HydrophobicContact CD1-CD1 4.46Å; E51-L134 HydrophobicContact CG-CD1 4.48Å; L134-V1153 HydrophobicContact CD2-CB 3.94Å; L134-V1153 HydrophobicContact CD2-CG1 4.43Å; L134-V1153 HydrophobicContact CD2-CG2 4.31Å
135	V	80.8	Confident	75.2	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	109.7	174.5	-178.5	0	0	0	0	109.5	M42 V140 L1140 F1152 V1153 L1154 D1155 I1157	M42-V135 WeakPolarHBondContact CE-O 3.34Å; V135-V140 HydrophobicContact CG1-CB 4.45Å; V135-V140 HydrophobicContact CG1-CG2 3.23Å; V135-L1140 HydrophobicContact CG2-CD1 3.45Å; V135-L1140 VanDerWaalsContact CG2-CD1 3.45Å; V135-F1152 HydrophobicContact CG2-CE1 3.81Å; V135-F1152 HydrophobicContact CG2-CZ 3.74Å; V135-V1153 PolarHBondContact N-O 2.98Å; V135-L1154 HydrophobicContact CB-CD2 3.78Å; V135-L1154 HydrophobicContact CG1-CD2 4.23Å; V135-L1154 HydrophobicContact CG2-CD2 3.74Å; V135-D1155 WeakPolarHBondContact O-CB 3.49Å; V135-D1155 PolarHBondContact O-N 3.49Å; V135-D1155 VanDerWaalsContact O-N 3.12Å; V135-I1157 HydrophobicContact CG1-CG2 4.35Å
136	F	79.4	Confident	75.3	Confident	37 Å²	37	42.3 Å²	42.3	16%	0.162	22%	0.223	C	C	.	.			trans	-77.5	157.3	174.9	-63.1	-76.6	0	0	0	111.8	M42 S46 G138 A139	M42-F136 HydrophobicContact CE-CD1 3.81Å; M42-F136 HydrophobicContact CE-CE1 3.96Å; M42-F136 HydrophobicContact CE-CG 4.35Å; M42-F136 HydrophobicContact CG-CD1 4.37Å; M42-F136 HydrophobicContact CG-CE1 4.41Å; S46-F136 WeakPolarHBondContact OG-CE1 3.32Å; S46-F136 WeakPolarHBondContact OG-CZ 3.31Å; F136-G138 PolarHBondContact O-N 3.39Å; F136-A139 HydrophobicContact CB-CB 3.99Å; F136-A139 VanDerWaalsContact O-CB 3.25Å; F136-A139 WeakPolarHBondContact O-CB 2.67Å; F136-A139 PolarHBondContact O-N 3.36Å
137	Q	71.9	Confident	75.3	Confident	98 Å²	98	45.8 Å²	45.8	46%	0.458	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	126.6	169.3	-174.2	177	18.2	0	0	111.2	A139 E1156	Q137-A139 PolarHBondContact O-N 3.09Å; Q137-E1156 HydrophobicContact CG-CB 4.25Å; Q137-E1156 PolarHBondContact NE2-OE2 2.95Å
138	G	68.4	Low	75.6	Confident	57 Å²	57	46.9 Å²	46.9	59%	0.588	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-9.3	-177.5	0	0	0	0	0	115.7	F136 V140	F136-G138 PolarHBondContact O-N 3.39Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 2.99Å
139	A	69	Low	76.1	Confident	25 Å²	25	52.6 Å²	52.6	21%	0.207	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-24	178	0	0	0	0	0	112.8	F136 Q137 E141 S142 I143	F136-A139 HydrophobicContact CB-CB 3.99Å; F136-A139 VanDerWaalsContact O-CB 3.25Å; F136-A139 WeakPolarHBondContact O-CB 2.67Å; F136-A139 PolarHBondContact O-N 3.36Å; Q137-A139 PolarHBondContact O-N 3.09Å; A139-E141 PolarHBondContact O-N 3.18Å; A139-S142 PolarHBondContact O-N 3.34Å; A139-S142 PolarHBondContact O-OG 2.99Å; A139-I143 PolarHBondContact O-N 2.88Å
140	V	72.1	Confident	76.9	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-52.3	178	-176.3	0	0	0	0	110.9	V135 G138 S142 I143 T1133 A1136 L1137 I1157	V135-V140 HydrophobicContact CG1-CB 4.45Å; V135-V140 HydrophobicContact CG1-CG2 3.23Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 2.99Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.46Å; V140-I143 PolarHBondContact O-N 3.06Å; V140-T1133 HydrophobicContact CG1-CG2 3.76Å; V140-A1136 HydrophobicContact CG1-CB 3.57Å; V140-A1136 WeakPolarHBondContact O-CB 3.34Å; V140-L1137 HydrophobicContact CG1-CD2 4.4Å; V140-L1137 HydrophobicContact CG1-CG 4.15Å; V140-I1157 HydrophobicContact CG2-CG2 3.87Å
141	E	69.8	Low	77.9	Confident	71 Å²	71	49 Å²	49	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-36	-179.4	-63.3	-175.5	177.2	0	0	111.8	A139 I143 A144 M145	A139-E141 PolarHBondContact O-N 3.18Å; E141-I143 VanDerWaalsContact C-N 3.3Å; E141-I143 PolarHBondContact O-N 3.13Å; E141-A144 PolarHBondContact O-N 3.35Å; E141-M145 WeakPolarHBondContact O-CB 3.13Å; E141-M145 WeakPolarHBondContact O-CG 3.22Å; E141-M145 PolarHBondContact O-N 2.91Å
142	S	73.1	Confident	78.6	Confident	61 Å²	61	44.6 Å²	44.6	43%	0.427	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-32.9	179.9	81	0	0	0	0	113.3	A139 V140 M145 K146	A139-S142 PolarHBondContact O-N 3.34Å; A139-S142 PolarHBondContact O-OG 2.99Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.46Å; S142-M145 PolarHBondContact O-N 3.2Å; S142-K146 PolarHBondContact O-N 3.12Å; S142-K146 VanDerWaalsContact O-N 3.1Å
143	I	75	Confident	79.2	Confident	35 Å²	35	46.1 Å²	46.1	18%	0.179	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-40.2	-179.5	-67.3	169.7	0	0	0	110.7	A139 V140 E141 L1139 L1140	A139-I143 PolarHBondContact O-N 2.88Å; V140-I143 PolarHBondContact O-N 3.06Å; E141-I143 VanDerWaalsContact C-N 3.3Å; E141-I143 PolarHBondContact O-N 3.13Å; I143-L1139 HydrophobicContact CG2-CD2 4.33Å; I143-L1140 HydrophobicContact CD1-CD1 3.95Å
144	A	70.2	Confident	79.6	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-34.5	173.8	0	0	0	0	0	112.6	E141 R151 M1124 A1136	E141-A144 PolarHBondContact O-N 3.35Å; A144-R151 PolarHBondContact O-NH2 3.39Å; A144-M1124 HydrophobicContact CB-SD 4.28Å; A144-A1136 HydrophobicContact CB-CB 3.75Å
145	M	75.3	Confident	79.9	Confident	91 Å²	91	46.8 Å²	46.8	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-83.5	-0.2	-178.7	-69.1	-155.2	-179.9	0	0	115.5	E141 S142 N147 K1132	E141-M145 WeakPolarHBondContact O-CB 3.13Å; E141-M145 WeakPolarHBondContact O-CG 3.22Å; E141-M145 PolarHBondContact O-N 2.91Å; S142-M145 PolarHBondContact O-N 3.2Å; M145-N147 PolarHBondContact O-N 2.92Å; M145-K1132 HydrophobicContact CE-CD 3.55Å
146	K	83.4	Confident	80.4	Confident	63 Å²	63	48.1 Å²	48.1	27%	0.274	26%	0.264	S	S	.	.			trans	-54.6	133.5	171.1	-80.9	175.5	-179.9	-73.7	0	110	S142 E150 R151 L154	S142-K146 PolarHBondContact O-N 3.12Å; S142-K146 VanDerWaalsContact O-N 3.1Å; K146-E150 HydrophobicContact CB-CB 4.02Å; K146-E150 HydrophobicContact CD-CB 4.48Å; K146-E150 HydrophobicContact CG-CB 4.15Å; K146-R151 PolarHBondContact O-NH2 3.23Å; K146-R151 VanDerWaalsContact O-NH2 3.13Å; K146-L154 HydrophobicContact CD-CD2 4.4Å
147	N	86.4	Confident	80.7	Confident	72 Å²	72	51.6 Å²	51.6	39%	0.385	28%	0.281	S	S	.	.			trans	-63.6	161.2	173	68.7	42	0	0	0	110.2	M145 K149 E150 R151	M145-N147 PolarHBondContact O-N 2.92Å; N147-K149 PolarHBondContact O-N 3.06Å; N147-K149 VanDerWaalsContact O-N 3.1Å; N147-K149 PolarHBondContact OD1-N 3.08Å; N147-E150 PolarHBondContact ND2-OE1 3.21Å; N147-E150 PolarHBondContact O-N 3.05Å; N147-E150 VanDerWaalsContact O-N 3.13Å; N147-E150 WeakPolarHBondContact OD1-CB 3.39Å; N147-E150 VanDerWaalsContact OD1-CG 3.29Å; N147-E150 WeakPolarHBondContact OD1-CG 2.9Å; N147-E150 PolarHBondContact OD1-N 2.52Å; N147-R151 PolarHBondContact O-N 3Å
148	P	87.8	Confident	81.3	Confident	41 Å²	41	47 Å²	47	27%	0.266	26%	0.259	S	S	.	.	H	α-helix	trans	-53.7	-35.4	-175.4	-30.7	37.3	0	0	0	114.5	T152 I1110 N1111	P148-T152 PolarHBondContact O-N 2.76Å; P148-T152 PolarHBondContact O-OG1 3.37Å; P148-I1110 WeakPolarHBondContact CA-O 3.29Å; P148-I1110 PolarHBondContact O-N 3.32Å; P148-I1110 VanDerWaalsContact O-N 3.09Å; P148-N1111 WeakPolarHBondContact CG-OD1 3.47Å
149	K	88.3	Confident	82.2	Confident	142 Å²	142	44.7 Å²	44.7	62%	0.617	23%	0.234	S	C	*	.	H	α-helix	trans	-74.6	-40.3	178.6	-69.9	-169.1	174.1	-169.5	0	113.4	N147 R151 T152 A153	N147-K149 PolarHBondContact O-N 3.06Å; N147-K149 VanDerWaalsContact O-N 3.1Å; N147-K149 PolarHBondContact OD1-N 3.08Å; K149-R151 PolarHBondContact O-N 3.2Å; K149-T152 WeakPolarHBondContact O-CB 3.19Å; K149-T152 PolarHBondContact O-N 2.64Å; K149-A153 PolarHBondContact O-N 3.27Å
150	E	87.3	Confident	83	Confident	94 Å²	94	48.1 Å²	48.1	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-32.5	173.8	-75.3	168.4	-163.3	0	0	111.6	K146 N147 L154	K146-E150 HydrophobicContact CB-CB 4.02Å; K146-E150 HydrophobicContact CD-CB 4.48Å; K146-E150 HydrophobicContact CG-CB 4.15Å; N147-E150 PolarHBondContact ND2-OE1 3.21Å; N147-E150 PolarHBondContact O-N 3.05Å; N147-E150 VanDerWaalsContact O-N 3.13Å; N147-E150 WeakPolarHBondContact OD1-CB 3.39Å; N147-E150 VanDerWaalsContact OD1-CG 3.29Å; N147-E150 WeakPolarHBondContact OD1-CG 2.9Å; N147-E150 PolarHBondContact OD1-N 2.52Å; E150-L154 PolarHBondContact O-N 3.42Å
151	R	88	Confident	83.9	Confident	11 Å²	11	47.7 Å²	47.7	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-46.3	171.3	-166	177.7	-63	128.3	-2.3	110.6	A144 K146 N147 K149 A153 L154 F155 I1110 Y1112	A144-R151 PolarHBondContact O-NH2 3.39Å; K146-R151 PolarHBondContact O-NH2 3.23Å; K146-R151 VanDerWaalsContact O-NH2 3.13Å; N147-R151 PolarHBondContact O-N 3Å; K149-R151 PolarHBondContact O-N 3.2Å; R151-A153 VanDerWaalsContact C-N 3.28Å; R151-A153 PolarHBondContact O-N 2.74Å; R151-L154 WeakPolarHBondContact O-CB 3.44Å; R151-L154 PolarHBondContact O-N 3.22Å; R151-L154 VanDerWaalsContact O-N 3.1Å; R151-F155 HydrophobicContact CG-CD2 4.16Å; R151-F155 HydrophobicContact CG-CE2 4Å; R151-F155 WeakPolarHBondContact O-CD2 3.35Å; R151-F155 PolarHBondContact O-N 2.98Å; R151-I1110 HydrophobicContact CG-CB 4.42Å; R151-I1110 PolarHBondContact NH1-O 3.24Å; R151-Y1112 VanDerWaalsContact NH1-CB 3.27Å; R151-Y1112 VanDerWaalsContact NH1-N 3.12Å
152	T	90.6	Very high	84.6	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-53.6	-45.9	172.1	-54	0	0	0	0	111.5	P148 K149 L154 F155 E156 F1069 P1105 D1108 I1110	P148-T152 PolarHBondContact O-N 2.76Å; P148-T152 PolarHBondContact O-OG1 3.37Å; K149-T152 WeakPolarHBondContact O-CB 3.19Å; K149-T152 PolarHBondContact O-N 2.64Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 2.96Å; T152-F155 PolarHBondContact O-N 3.1Å; T152-F155 VanDerWaalsContact O-N 3.14Å; T152-E156 WeakPolarHBondContact O-CG 3.47Å; T152-E156 PolarHBondContact O-N 3.48Å; T152-F1069 HydrophobicContact CG2-CE2 3.92Å; T152-F1069 HydrophobicContact CG2-CZ 4.03Å; T152-P1105 WeakPolarHBondContact CG2-O 3.36Å; T152-D1108 WeakPolarHBondContact CG2-O 3.41Å; T152-D1108 PolarHBondContact OG1-O 3.14Å; T152-I1110 PolarHBondContact OG1-N 3.32Å; T152-I1110 VanDerWaalsContact OG1-N 3.13Å
153	A	88.2	Confident	85.3	Confident	44 Å²	44	47.9 Å²	47.9	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-61	-39.4	177.4	0	0	0	0	0	112.8	K149 R151 E156 E157	K149-A153 PolarHBondContact O-N 3.27Å; R151-A153 VanDerWaalsContact C-N 3.28Å; R151-A153 PolarHBondContact O-N 2.74Å; A153-E156 PolarHBondContact O-N 3.23Å; A153-E157 WeakPolarHBondContact O-CG 3.24Å; A153-E157 PolarHBondContact O-N 3.49Å
154	L	85.6	Confident	86.1	Confident	23 Å²	23	47.3 Å²	47.3	12%	0.12	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-45.7	173.7	178.3	65.9	0	0	0	111.3	K146 E150 R151 T152 E156 E157 I158 I1143	K146-L154 HydrophobicContact CD-CD2 4.4Å; E150-L154 PolarHBondContact O-N 3.42Å; R151-L154 WeakPolarHBondContact O-CB 3.44Å; R151-L154 PolarHBondContact O-N 3.22Å; R151-L154 VanDerWaalsContact O-N 3.1Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 2.96Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.27Å; L154-E157 PolarHBondContact O-N 3.1Å; L154-I158 HydrophobicContact CD1-CD1 4.01Å; L154-I158 HydrophobicContact CG-CD1 3.84Å; L154-I158 VanDerWaalsContact O-CD1 3.31Å; L154-I158 WeakPolarHBondContact O-CD1 3.32Å; L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.1Å; L154-I158 PolarHBondContact O-N 2.98Å; L154-I1143 HydrophobicContact CD2-CD1 4.04Å
155	F	88.4	Confident	87.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-36.8	175	-83.5	-89.1	0	0	0	112.3	R151 T152 I158 S159 F1069 F1073 V1076 L1097 I1110 L1139	R151-F155 HydrophobicContact CG-CD2 4.16Å; R151-F155 HydrophobicContact CG-CE2 4Å; R151-F155 WeakPolarHBondContact O-CD2 3.35Å; R151-F155 PolarHBondContact O-N 2.98Å; T152-F155 PolarHBondContact O-N 3.1Å; T152-F155 VanDerWaalsContact O-N 3.14Å; F155-I158 PolarHBondContact O-N 2.92Å; F155-S159 WeakPolarHBondContact O-CB 3.43Å; F155-S159 PolarHBondContact O-N 3.15Å; F155-S159 PolarHBondContact O-OG 3.21Å; F155-F1069 HydrophobicContact CB-CE2 3.87Å; F155-F1069 HydrophobicContact CB-CZ 4.27Å; F155-F1073 HydrophobicContact CD1-CD2 4.37Å; F155-F1073 HydrophobicContact CE1-CD2 4.17Å; F155-F1073 HydrophobicContact CZ-CD2 4.43Å; F155-V1076 HydrophobicContact CE1-CB 3.82Å; F155-V1076 HydrophobicContact CE1-CG1 3.88Å; F155-V1076 HydrophobicContact CE1-CG2 3.94Å; F155-V1076 HydrophobicContact CZ-CB 4.24Å; F155-V1076 HydrophobicContact CZ-CG1 3.79Å; F155-L1097 HydrophobicContact CZ-CD1 4.18Å; F155-I1110 HydrophobicContact CB-CD1 3.98Å; F155-I1110 HydrophobicContact CD2-CD1 3.34Å; F155-I1110 HydrophobicContact CE2-CD1 3.89Å; F155-I1110 HydrophobicContact CG-CD1 3.7Å; F155-L1139 HydrophobicContact CZ-CD1 4.37Å
156	E	89.3	Confident	87.8	Confident	29 Å²	29	51.9 Å²	51.9	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-35.9	174.5	-70.8	-150.7	93.7	0	0	112.9	T152 A153 L154 S159 R160 S161 G162 R1065 F1069	T152-E156 WeakPolarHBondContact O-CG 3.47Å; T152-E156 PolarHBondContact O-N 3.48Å; A153-E156 PolarHBondContact O-N 3.23Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.27Å; E156-S159 WeakPolarHBondContact CA-OG 3.14Å; E156-S159 PolarHBondContact O-OG 3.31Å; E156-R160 CarbonylContact O-C 3.59Å; E156-R160 VanDerWaalsContact O-CA 3.29Å; E156-R160 WeakPolarHBondContact O-CA 3.01Å; E156-R160 PolarHBondContact O-N 3.2Å; E156-S161 WeakPolarHBondContact CA-OG 2.82Å; E156-S161 WeakPolarHBondContact CG-OG 3.07Å; E156-S161 PolarHBondContact O-N 3.03Å; E156-S161 PolarHBondContact OE1-OG 2.75Å; E156-G162 PolarHBondContact O-N 3.26Å; E156-R1065 IonicContact OE1-CZ 3.84Å; E156-R1065 IonicContact OE1-NE 3.55Å; E156-R1065 PolarHBondContact OE1-NE 3.44Å; E156-R1065 IonicContact OE1-NH2 2.81Å; E156-R1065 PolarHBondContact OE1-NH2 3.24Å; E156-R1065 IonicContact OE2-NH2 3.73Å; E156-R1065 PolarHBondContact OE2-NH2 2.95Å; E156-F1069 HydrophobicContact CG-CD2 3.87Å; E156-F1069 HydrophobicContact CG-CE2 3.86Å
157	E	86.3	Confident	88.1	Confident	110 Å²	110	50.9 Å²	50.9	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-43.6	175.8	-75.5	-179.1	177.4	0	0	111.7	A153 L154 R160	A153-E157 WeakPolarHBondContact O-CG 3.24Å; A153-E157 PolarHBondContact O-N 3.49Å; L154-E157 PolarHBondContact O-N 3.1Å; E157-R160 PolarHBondContact O-N 2.92Å
158	I	84.7	Confident	88.5	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-44.5	-179.8	-64.1	157	0	0	0	111.3	A130 L154 F155 R160 I1143 Y1146 K1147	A130-I158 HydrophobicContact CB-CG1 3.9Å; L154-I158 HydrophobicContact CD1-CD1 4.01Å; L154-I158 HydrophobicContact CG-CD1 3.84Å; L154-I158 VanDerWaalsContact O-CD1 3.31Å; L154-I158 WeakPolarHBondContact O-CD1 3.32Å; L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.1Å; L154-I158 PolarHBondContact O-N 2.98Å; F155-I158 PolarHBondContact O-N 2.92Å; I158-R160 VanDerWaalsContact C-N 3.28Å; I158-R160 PolarHBondContact O-N 3.41Å; I158-I1143 HydrophobicContact CD1-CB 4.45Å; I158-I1143 HydrophobicContact CD1-CD1 3.95Å; I158-I1143 HydrophobicContact CD1-CG1 4.12Å; I158-I1143 HydrophobicContact CD1-CG2 3.5Å; I158-I1143 VanDerWaalsContact CD1-CG2 3.5Å; I158-I1143 HydrophobicContact CG1-CG2 4.31Å; I158-I1143 HydrophobicContact CG2-CG2 4.47Å; I158-Y1146 HydrophobicContact CG2-CD1 4.2Å; I158-K1147 PolarHBondContact O-NZ 3.4Å
159	S	87.9	Confident	88.6	Confident	8 Å²	8	49.5 Å²	49.5	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-76.2	-14.9	178.8	65.1	0	0	0	0	113.6	F155 E156 S161 R1068	F155-S159 WeakPolarHBondContact O-CB 3.43Å; F155-S159 PolarHBondContact O-N 3.15Å; F155-S159 PolarHBondContact O-OG 3.21Å; E156-S159 WeakPolarHBondContact CA-OG 3.14Å; E156-S159 PolarHBondContact O-OG 3.31Å; S159-S161 PolarHBondContact O-N 3.44Å; S159-S161 WeakPolarHBondContact OG-CB 3.27Å; S159-S161 PolarHBondContact OG-N 2.92Å; S159-S161 PolarHBondContact OG-OG 3.15Å; S159-R1068 WeakPolarHBondContact CB-O 3.15Å
160	R	85.4	Confident	88.8	Confident	97 Å²	97	48.8 Å²	48.8	37%	0.366	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	19.1	-170.9	-52.6	179.1	71.6	160.1	7	113.5	E122 E156 E157 I158 G162 E163	E122-R160 IonicContact OE2-NH1 2.98Å; E156-R160 CarbonylContact O-C 3.59Å; E156-R160 VanDerWaalsContact O-CA 3.29Å; E156-R160 WeakPolarHBondContact O-CA 3.01Å; E156-R160 PolarHBondContact O-N 3.2Å; E157-R160 PolarHBondContact O-N 2.92Å; I158-R160 VanDerWaalsContact C-N 3.28Å; I158-R160 PolarHBondContact O-N 3.41Å; R160-G162 PolarHBondContact O-N 3.23Å; R160-E163 IonicContact CZ-OE1 3.19Å; R160-E163 VanDerWaalsContact CZ-OE1 3.3Å; R160-E163 IonicContact NE-OE1 2.62Å; R160-E163 PolarHBondContact NE-OE1 2.91Å; R160-E163 IonicContact NE-OE2 3.13Å; R160-E163 IonicContact NH2-OE1 2.7Å; R160-E163 PolarHBondContact NH2-OE1 3.19Å; R160-E163 IonicContact NH2-OE2 3.54Å; R160-E163 PolarHBondContact O-N 3.28Å
161	S	90	Very high	89.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-67.1	-27.6	172.7	69.3	0	0	0	0	111.5	E156 S159 E163 L164	E156-S161 WeakPolarHBondContact CA-OG 2.82Å; E156-S161 WeakPolarHBondContact CG-OG 3.07Å; E156-S161 PolarHBondContact O-N 3.03Å; E156-S161 PolarHBondContact OE1-OG 2.75Å; S159-S161 PolarHBondContact O-N 3.44Å; S159-S161 WeakPolarHBondContact OG-CB 3.27Å; S159-S161 PolarHBondContact OG-N 2.92Å; S159-S161 PolarHBondContact OG-OG 3.15Å; S161-E163 PolarHBondContact O-N 3.09Å; S161-L164 WeakPolarHBondContact O-CB 3.48Å; S161-L164 PolarHBondContact O-N 2.98Å
162	G	86.1	Confident	89.2	Confident	30 Å²	30	51.2 Å²	51.2	31%	0.309	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-62.5	-25.3	179	0	0	0	0	0	114	E156 R160 L164 A165	E156-G162 PolarHBondContact O-N 3.26Å; R160-G162 PolarHBondContact O-N 3.23Å; G162-L164 PolarHBondContact O-N 2.79Å; G162-A165 VanDerWaalsContact O-CB 3.23Å; G162-A165 WeakPolarHBondContact O-CB 3.42Å; G162-A165 PolarHBondContact O-N 3.11Å; G162-A165 VanDerWaalsContact O-N 3.17Å
163	E	88.1	Confident	89.3	Confident	107 Å²	107	58.5 Å²	58.5	50%	0.5	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-63.9	-29.7	174.8	-63.8	177.6	178.1	0	0	111.9	R160 S161 A165	R160-E163 IonicContact CZ-OE1 3.19Å; R160-E163 VanDerWaalsContact CZ-OE1 3.3Å; R160-E163 IonicContact NE-OE1 2.62Å; R160-E163 PolarHBondContact NE-OE1 2.91Å; R160-E163 IonicContact NE-OE2 3.13Å; R160-E163 IonicContact NH2-OE1 2.7Å; R160-E163 PolarHBondContact NH2-OE1 3.19Å; R160-E163 IonicContact NH2-OE2 3.54Å; R160-E163 PolarHBondContact O-N 3.28Å; S161-E163 PolarHBondContact O-N 3.09Å; E163-A165 VanDerWaalsContact C-N 3.33Å
164	L	91.5	Very high	89.5	Confident	22 Å²	22	60.2 Å²	60.2	12%	0.115	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84.4	-7.1	179.4	-61.3	174.5	0	0	0	112.8	S161 G162 Q166 E167 Y168 E1064 R1065	S161-L164 WeakPolarHBondContact O-CB 3.48Å; S161-L164 PolarHBondContact O-N 2.98Å; G162-L164 PolarHBondContact O-N 2.79Å; L164-Q166 PolarHBondContact O-N 3.3Å; L164-E167 PolarHBondContact O-N 2.6Å; L164-Y168 VanDerWaalsContact O-CB 3.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.38Å; L164-Y168 PolarHBondContact O-N 3.35Å; L164-E1064 HydrophobicContact CD1-CB 4.17Å; L164-E1064 HydrophobicContact CD1-CG 3.84Å; L164-R1065 HydrophobicContact CB-CB 4.12Å; L164-R1065 HydrophobicContact CB-CG 4.22Å; L164-R1065 HydrophobicContact CD1-CB 4.05Å
165	A	89.8	Confident	89.9	Confident	22 Å²	22	60.2 Å²	60.2	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-43.3	-175.8	0	0	0	0	0	112.8	G162 E163 Y168 D169	G162-A165 VanDerWaalsContact O-CB 3.23Å; G162-A165 WeakPolarHBondContact O-CB 3.42Å; G162-A165 PolarHBondContact O-N 3.11Å; G162-A165 VanDerWaalsContact O-N 3.17Å; E163-A165 VanDerWaalsContact C-N 3.33Å; A165-Y168 WeakPolarHBondContact O-CB 2.97Å; A165-Y168 PolarHBondContact O-N 3.41Å; A165-D169 PolarHBondContact O-N 3.25Å
166	Q	90.3	Very high	90.1	Very high	167 Å²	167	63.2 Å²	63.2	78%	0.78	30%	0.299	S	S	*	.	H	α-helix	trans	-65.9	-41.1	177.9	-68.5	-174.7	5.2	0	0	112	L164 D169 R170	L164-Q166 PolarHBondContact O-N 3.3Å; Q166-D169 PolarHBondContact O-N 3.49Å; Q166-R170 WeakPolarHBondContact O-CB 3.49Å; Q166-R170 PolarHBondContact O-N 2.88Å
167	E	90.9	Very high	90.2	Very high	42 Å²	42	68.1 Å²	68.1	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-41	177.9	-172.3	60.9	-161.5	0	0	111.1	L164 D169 R170 R171 I1061	L164-E167 PolarHBondContact O-N 2.6Å; E167-D169 PolarHBondContact O-N 3.35Å; E167-R170 PolarHBondContact O-N 3.38Å; E167-R170 IonicContact OE1-CZ 2.73Å; E167-R170 IonicContact OE1-NE 3.17Å; E167-R170 IonicContact OE1-NH2 3.1Å; E167-R170 PolarHBondContact OE1-NH2 3.43Å; E167-R170 IonicContact OE2-CZ 2.97Å; E167-R170 IonicContact OE2-NE 2.7Å; E167-R170 PolarHBondContact OE2-NE 3.23Å; E167-R170 VanDerWaalsContact OE2-NE 3.09Å; E167-R170 IonicContact OE2-NH1 3.48Å; E167-R170 IonicContact OE2-NH2 2.68Å; E167-R170 PolarHBondContact OE2-NH2 3.17Å; E167-R171 HydrophobicContact CG-CG 4.27Å; E167-R171 WeakPolarHBondContact O-CB 3.22Å; E167-R171 VanDerWaalsContact O-CG 3.23Å; E167-R171 WeakPolarHBondContact O-CG 3.45Å; E167-R171 PolarHBondContact O-N 2.99Å; E167-R171 IonicContact OE1-CZ 3.48Å; E167-R171 IonicContact OE1-NE 3.78Å; E167-R171 PolarHBondContact OE1-NE 3.05Å; E167-R171 IonicContact OE1-NH2 2.61Å; E167-R171 PolarHBondContact OE1-NH2 3.21Å; E167-I1061 HydrophobicContact CB-CG2 4.36Å; E167-I1061 HydrophobicContact CG-CD1 3.9Å; E167-I1061 HydrophobicContact CG-CG1 4Å; E167-I1061 HydrophobicContact CG-CG2 4.22Å
168	Y	93.2	Very high	90.5	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-54.9	-52.2	173.8	173.8	-81.9	0	0	0	111.1	L164 A165 R170 R171 K172 F1058 K1062 E1104 Y1106	L164-Y168 VanDerWaalsContact O-CB 3.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.38Å; L164-Y168 PolarHBondContact O-N 3.35Å; A165-Y168 WeakPolarHBondContact O-CB 2.97Å; A165-Y168 PolarHBondContact O-N 3.41Å; Y168-R170 VanDerWaalsContact C-N 3.34Å; Y168-R170 PolarHBondContact O-N 2.94Å; Y168-R171 PolarHBondContact O-N 3.31Å; Y168-K172 HydrophobicContact CE1-CD 3.91Å; Y168-K172 VanDerWaalsContact O-CB 3.31Å; Y168-K172 WeakPolarHBondContact O-CB 3.32Å; Y168-K172 PolarHBondContact O-N 2.98Å; Y168-F1058 AromaticContact CD2-CE2 3.82Å; Y168-F1058 HydrophobicContact CD2-CE2 3.82Å; Y168-F1058 HydrophobicContact CD2-CZ 4.47Å; Y168-F1058 HydrophobicContact CE1-CE2 4.25Å; Y168-F1058 AromaticContact CE2-CE2 3.55Å; Y168-F1058 HydrophobicContact CE2-CE2 3.55Å; Y168-F1058 AromaticContact CE2-CZ 3.77Å; Y168-F1058 HydrophobicContact CE2-CZ 3.77Å; Y168-F1058 HydrophobicContact CG-CE2 4.3Å; Y168-F1058 AromaticContact CZ-CE2 3.77Å; Y168-F1058 AromaticContact CZ-CZ 3.85Å; Y168-K1062 HydrophobicContact CD2-CB 4.25Å; Y168-K1062 HydrophobicContact CE2-CB 4.01Å; Y168-K1062 HydrophobicContact CE2-CG 4.04Å; Y168-E1104 WeakPolarHBondContact CE2-OE1 3.48Å; Y168-E1104 PolarHBondContact OH-OE1 3.41Å; Y168-E1104 PolarHBondContact OH-OE2 3.31Å; Y168-Y1106 HydrophobicContact CE2-CE2 4.38Å
169	D	90.8	Very high	90.7	Very high	84 Å²	84	66.7 Å²	66.7	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-38.4	-179	-76.2	-22.8	0	0	0	112.3	A165 Q166 E167 K173	A165-D169 PolarHBondContact O-N 3.25Å; Q166-D169 PolarHBondContact O-N 3.49Å; E167-D169 PolarHBondContact O-N 3.35Å; D169-K173 WeakPolarHBondContact O-CG 3.21Å; D169-K173 PolarHBondContact O-N 2.89Å; D169-K173 VanDerWaalsContact O-N 3.13Å
170	R	92.3	Very high	90.8	Very high	127 Å²	127	72 Å²	72	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-51	175.6	-173.9	177	74.8	170.5	6.8	111	Q166 E167 Y168 K172 K173 E174	Q166-R170 WeakPolarHBondContact O-CB 3.49Å; Q166-R170 PolarHBondContact O-N 2.88Å; E167-R170 PolarHBondContact O-N 3.38Å; E167-R170 IonicContact OE1-CZ 2.73Å; E167-R170 IonicContact OE1-NE 3.17Å; E167-R170 IonicContact OE1-NH2 3.1Å; E167-R170 PolarHBondContact OE1-NH2 3.43Å; E167-R170 IonicContact OE2-CZ 2.97Å; E167-R170 IonicContact OE2-NE 2.7Å; E167-R170 PolarHBondContact OE2-NE 3.23Å; E167-R170 VanDerWaalsContact OE2-NE 3.09Å; E167-R170 IonicContact OE2-NH1 3.48Å; E167-R170 IonicContact OE2-NH2 2.68Å; E167-R170 PolarHBondContact OE2-NH2 3.17Å; Y168-R170 VanDerWaalsContact C-N 3.34Å; Y168-R170 PolarHBondContact O-N 2.94Å; R170-K172 VanDerWaalsContact C-N 3.34Å; R170-K172 PolarHBondContact O-N 3.38Å; R170-K173 PolarHBondContact O-N 3.49Å; R170-E174 WeakPolarHBondContact O-CG 3.49Å; R170-E174 PolarHBondContact O-N 3.4Å
171	R	92.7	Very high	91.1	Very high	71 Å²	71	70.4 Å²	70.4	27%	0.268	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-36.4	-180	-66.7	-61.5	-178.5	-178.5	6.4	112.5	E167 Y168 E174 M175 F1058 I1061	E167-R171 HydrophobicContact CG-CG 4.27Å; E167-R171 WeakPolarHBondContact O-CB 3.22Å; E167-R171 VanDerWaalsContact O-CG 3.23Å; E167-R171 WeakPolarHBondContact O-CG 3.45Å; E167-R171 PolarHBondContact O-N 2.99Å; E167-R171 IonicContact OE1-CZ 3.48Å; E167-R171 IonicContact OE1-NE 3.78Å; E167-R171 PolarHBondContact OE1-NE 3.05Å; E167-R171 IonicContact OE1-NH2 2.61Å; E167-R171 PolarHBondContact OE1-NH2 3.21Å; Y168-R171 PolarHBondContact O-N 3.31Å; R171-E174 IonicContact CZ-OE2 2.66Å; R171-E174 IonicContact NH1-OE2 3.6Å; R171-E174 PolarHBondContact NH1-OE2 3.46Å; R171-E174 PolarHBondContact O-N 3.38Å; R171-M175 WeakPolarHBondContact O-CB 3.08Å; R171-M175 PolarHBondContact O-N 3.03Å; R171-F1058 HydrophobicContact CB-CB 4.1Å; R171-F1058 HydrophobicContact CB-CD2 4.1Å; R171-I1061 HydrophobicContact CG-CG1 4.4Å
172	K	92.1	Very high	91.1	Very high	85 Å²	85	71.5 Å²	71.5	37%	0.37	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-45.9	174.5	-169.8	170.6	-175.4	167.6	0	111.6	Y168 R170 M175 V176 F1058	Y168-K172 HydrophobicContact CE1-CD 3.91Å; Y168-K172 VanDerWaalsContact O-CB 3.31Å; Y168-K172 WeakPolarHBondContact O-CB 3.32Å; Y168-K172 PolarHBondContact O-N 2.98Å; R170-K172 VanDerWaalsContact C-N 3.34Å; R170-K172 PolarHBondContact O-N 3.38Å; K172-M175 PolarHBondContact O-N 3.44Å; K172-V176 WeakPolarHBondContact O-CG2 3.25Å; K172-V176 PolarHBondContact O-N 3.32Å; K172-V176 VanDerWaalsContact O-N 3.09Å; K172-F1058 HydrophobicContact CB-CD2 3.95Å; K172-F1058 HydrophobicContact CB-CE2 3.65Å; K172-F1058 HydrophobicContact CB-CZ 4.35Å; K172-F1058 HydrophobicContact CD-CE2 4.28Å; K172-F1058 HydrophobicContact CD-CZ 4.34Å; K172-F1058 HydrophobicContact CG-CE2 4.04Å; K172-F1058 HydrophobicContact CG-CZ 4.25Å
173	K	92.2	Very high	91.3	Very high	157 Å²	157	76.1 Å²	76.1	68%	0.683	36%	0.358	S	S	*	.	H	α-helix	trans	-64.3	-43.1	175.8	-73.5	175	-178.4	172.7	0	112.4	D169 R170 M175 K177	D169-K173 WeakPolarHBondContact O-CG 3.21Å; D169-K173 PolarHBondContact O-N 2.89Å; D169-K173 VanDerWaalsContact O-N 3.13Å; R170-K173 PolarHBondContact O-N 3.49Å; K173-M175 VanDerWaalsContact C-N 3.34Å; K173-M175 PolarHBondContact O-N 3.3Å; K173-K177 WeakPolarHBondContact O-CB 3.32Å; K173-K177 PolarHBondContact O-N 3.44Å; K173-K177 VanDerWaalsContact O-N 3.09Å
174	E	92.1	Very high	91.3	Very high	80 Å²	80	77.8 Å²	77.8	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-42.6	175.8	-74.9	177.3	-178.1	0	0	112.1	R170 R171 A178	R170-E174 WeakPolarHBondContact O-CG 3.49Å; R170-E174 PolarHBondContact O-N 3.4Å; R171-E174 IonicContact CZ-OE2 2.66Å; R171-E174 IonicContact NH1-OE2 3.6Å; R171-E174 PolarHBondContact NH1-OE2 3.46Å; R171-E174 PolarHBondContact O-N 3.38Å; E174-A178 WeakPolarHBondContact O-CB 3.18Å; E174-A178 PolarHBondContact O-N 3.48Å
175	M	94.4	Very high	91.1	Very high	24 Å²	24	78 Å²	78	12%	0.118	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-52.6	177.4	-179.6	-167.1	75.6	0	0	111.7	R171 K172 K173 K177 A178 E179 A1054 K1055 F1058	R171-M175 WeakPolarHBondContact O-CB 3.08Å; R171-M175 PolarHBondContact O-N 3.03Å; K172-M175 PolarHBondContact O-N 3.44Å; K173-M175 VanDerWaalsContact C-N 3.34Å; K173-M175 PolarHBondContact O-N 3.3Å; M175-K177 VanDerWaalsContact C-N 3.34Å; M175-K177 PolarHBondContact O-N 2.66Å; M175-A178 PolarHBondContact O-N 3.49Å; M175-E179 PolarHBondContact O-N 3.21Å; M175-A1054 HydrophobicContact CB-CB 4.46Å; M175-K1055 HydrophobicContact CG-CB 4.15Å; M175-K1055 HydrophobicContact SD-CB 4.27Å; M175-K1055 HydrophobicContact SD-CG 4.1Å; M175-F1058 HydrophobicContact CB-CB 4.48Å; M175-F1058 HydrophobicContact CE-CD1 4.22Å; M175-F1058 HydrophobicContact CE-CE1 4.39Å; M175-F1058 HydrophobicContact SD-CB 4.29Å; M175-F1058 HydrophobicContact SD-CD1 3.61Å; M175-F1058 HydrophobicContact SD-CE1 4.3Å; M175-F1058 HydrophobicContact SD-CG 4.15Å
176	V	92	Very high	91.1	Very high	62 Å²	62	82.5 Å²	82.5	38%	0.376	38%	0.378	S	S	.	.	H	α-helix	trans	-58.7	-47	-178.8	172.1	0	0	0	0	110.7	K172 A178 E179 E180	K172-V176 WeakPolarHBondContact O-CG2 3.25Å; K172-V176 PolarHBondContact O-N 3.32Å; K172-V176 VanDerWaalsContact O-N 3.09Å; V176-A178 VanDerWaalsContact C-N 3.34Å; V176-A178 PolarHBondContact O-N 2.93Å; V176-E179 PolarHBondContact O-N 3.37Å; V176-E180 WeakPolarHBondContact O-CG 3.4Å; V176-E180 PolarHBondContact O-N 2.61Å
177	K	91.4	Very high	90.9	Very high	133 Å²	133	79.9 Å²	79.9	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-60.3	-42.5	177.7	-174	177.1	179.6	179.9	0	112.3	K173 M175 E179 E180 D181	K173-K177 WeakPolarHBondContact O-CB 3.32Å; K173-K177 PolarHBondContact O-N 3.44Å; K173-K177 VanDerWaalsContact O-N 3.09Å; M175-K177 VanDerWaalsContact C-N 3.34Å; M175-K177 PolarHBondContact O-N 2.66Å; K177-E179 VanDerWaalsContact C-N 3.33Å; K177-E179 PolarHBondContact O-N 2.91Å; K177-E180 PolarHBondContact O-N 3.09Å; K177-D181 WeakPolarHBondContact O-CB 3.18Å; K177-D181 VanDerWaalsContact O-CG 3.3Å; K177-D181 PolarHBondContact O-N 3.08Å
178	A	92.2	Very high	90.7	Very high	7 Å²	7	83.2 Å²	83.2	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-68.1	-31.5	178.6	0	0	0	0	0	112.9	E174 M175 V176 T182 A1051 A1054	E174-A178 WeakPolarHBondContact O-CB 3.18Å; E174-A178 PolarHBondContact O-N 3.48Å; M175-A178 PolarHBondContact O-N 3.49Å; V176-A178 VanDerWaalsContact C-N 3.34Å; V176-A178 PolarHBondContact O-N 2.93Å; A178-T182 WeakPolarHBondContact O-CB 3.3Å; A178-T182 PolarHBondContact O-N 2.84Å; A178-T182 VanDerWaalsContact O-N 3.1Å; A178-T182 PolarHBondContact O-OG1 3.29Å; A178-A1051 HydrophobicContact CB-CB 4.01Å; A178-A1054 HydrophobicContact CB-CB 4.31Å
179	E	90.2	Very high	90.5	Very high	75 Å²	75	85.4 Å²	85.4	35%	0.35	39%	0.386	S	S	.	.	H	α-helix	trans	-68.5	-44.2	172.8	-75.2	-174.2	160.7	0	0	111.7	M175 V176 K177 T182 Q183	M175-E179 PolarHBondContact O-N 3.21Å; V176-E179 PolarHBondContact O-N 3.37Å; K177-E179 VanDerWaalsContact C-N 3.33Å; K177-E179 PolarHBondContact O-N 2.91Å; E179-T182 WeakPolarHBondContact O-CB 3.39Å; E179-T182 PolarHBondContact O-N 3.15Å; E179-Q183 PolarHBondContact O-N 3.4Å
180	E	90.1	Very high	90.3	Very high	118 Å²	118	87.4 Å²	87.4	55%	0.551	39%	0.39	S	S	*	.	H	α-helix	trans	-58.9	-48.2	174	-70.5	175	167.4	0	0	111.6	V176 K177 T182 Q183 F184	V176-E180 WeakPolarHBondContact O-CG 3.4Å; V176-E180 PolarHBondContact O-N 2.61Å; K177-E180 PolarHBondContact O-N 3.09Å; E180-T182 PolarHBondContact O-N 3.49Å; E180-Q183 PolarHBondContact O-N 2.76Å; E180-Q183 VanDerWaalsContact O-N 3.16Å; E180-F184 PolarHBondContact O-N 3.24Å
181	D	89.8	Confident	89.9	Confident	65 Å²	65	86.4 Å²	86.4	35%	0.348	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-36.1	176.1	-73.4	-18.5	0	0	0	111.7	K177 N185	K177-D181 WeakPolarHBondContact O-CB 3.18Å; K177-D181 VanDerWaalsContact O-CG 3.3Å; K177-D181 PolarHBondContact O-N 3.08Å; D181-N185 WeakPolarHBondContact O-CB 3.47Å; D181-N185 PolarHBondContact O-N 3.27Å; D181-N185 VanDerWaalsContact O-N 3.11Å; D181-N185 PolarHBondContact O-ND2 3.27Å
182	T	91.7	Very high	89.7	Confident	22 Å²	22	84.1 Å²	84.1	14%	0.135	39%	0.387	C	S	.	.	H	α-helix	trans	-69.1	-41.1	177.9	-58.7	0	0	0	0	111.5	A178 E179 E180 Y186 F1044 A1047 R1048 A1051	A178-T182 WeakPolarHBondContact O-CB 3.3Å; A178-T182 PolarHBondContact O-N 2.84Å; A178-T182 VanDerWaalsContact O-N 3.1Å; A178-T182 PolarHBondContact O-OG1 3.29Å; E179-T182 WeakPolarHBondContact O-CB 3.39Å; E179-T182 PolarHBondContact O-N 3.15Å; E180-T182 PolarHBondContact O-N 3.49Å; T182-Y186 WeakPolarHBondContact O-CB 3.18Å; T182-Y186 PolarHBondContact O-N 2.63Å; T182-F1044 HydrophobicContact CG2-CD2 4.38Å; T182-F1044 HydrophobicContact CG2-CE2 3.85Å; T182-A1047 PolarHBondContact OG1-O 3.11Å; T182-R1048 HydrophobicContact CG2-CB 4.22Å; T182-A1051 WeakPolarHBondContact OG1-CB 3.37Å
183	Q	88.4	Confident	89.3	Confident	128 Å²	128	82 Å²	82	60%	0.598	39%	0.385	S	S	*	.	H	α-helix	trans	-64.7	-44.2	176.4	-70.5	-178.3	1.4	0	0	111.5	E179 E180 N185 Y186 H187	E179-Q183 PolarHBondContact O-N 3.4Å; E180-Q183 PolarHBondContact O-N 2.76Å; E180-Q183 VanDerWaalsContact O-N 3.16Å; Q183-N185 PolarHBondContact O-N 3.38Å; Q183-Y186 WeakPolarHBondContact O-CB 3.34Å; Q183-Y186 PolarHBondContact O-N 3.11Å; Q183-H187 PolarHBondContact O-CD2 2.86Å; Q183-H187 PolarHBondContact O-N 3.46Å; Q183-H187 VanDerWaalsContact O-N 3.13Å
184	F	89	Confident	88.8	Confident	142 Å²	142	77.5 Å²	77.5	62%	0.623	38%	0.378	S	S	*	.	H	α-helix	trans	-58.3	-49.8	176.8	179.2	-98.2	0	0	0	111.9	E180 Y186 H187 R188	E180-F184 PolarHBondContact O-N 3.24Å; F184-Y186 VanDerWaalsContact C-N 3.32Å; F184-Y186 PolarHBondContact O-N 3.25Å; F184-H187 PolarHBondContact O-N 3.4Å; F184-R188 PolarHBondContact O-N 3.16Å
185	N	88.2	Confident	88.3	Confident	26 Å²	26	78.6 Å²	78.6	14%	0.139	38%	0.383	C	S	.	.	H	α-helix	trans	-66.1	-32.4	179	-73	-50.7	0	0	0	112.9	D181 Q183 R188 K189 F1044	D181-N185 WeakPolarHBondContact O-CB 3.47Å; D181-N185 PolarHBondContact O-N 3.27Å; D181-N185 VanDerWaalsContact O-N 3.11Å; D181-N185 PolarHBondContact O-ND2 3.27Å; Q183-N185 PolarHBondContact O-N 3.38Å; N185-R188 PolarHBondContact O-N 3.04Å; N185-K189 WeakPolarHBondContact O-CB 3.48Å; N185-K189 PolarHBondContact O-N 3.11Å; N185-F1044 HydrophobicContact CB-CB 4.29Å; N185-F1044 HydrophobicContact CB-CD2 4.4Å
186	Y	89.4	Confident	87.8	Confident	117 Å²	117	82.6 Å²	82.6	46%	0.459	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-45.9	173.8	176.2	-108	0	0	0	112.3	T182 Q183 F184 R188 K189 K190 F1044	T182-Y186 WeakPolarHBondContact O-CB 3.18Å; T182-Y186 PolarHBondContact O-N 2.63Å; Q183-Y186 WeakPolarHBondContact O-CB 3.34Å; Q183-Y186 PolarHBondContact O-N 3.11Å; F184-Y186 VanDerWaalsContact C-N 3.32Å; F184-Y186 PolarHBondContact O-N 3.25Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 3.17Å; Y186-K189 PolarHBondContact O-N 3.4Å; Y186-K190 WeakPolarHBondContact O-CB 3.44Å; Y186-K190 PolarHBondContact O-N 3.2Å; Y186-F1044 HydrophobicContact CD2-CE2 4.03Å; Y186-F1044 HydrophobicContact CD2-CZ 4.13Å; Y186-F1044 HydrophobicContact CG-CE2 4.32Å
187	H	85.6	Confident	87.3	Confident	112 Å²	112	86.6 Å²	86.6	52%	0.519	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.5	-77.4	-67.2	0	0	0	111.9	Q183 F184 K190 N191	Q183-H187 PolarHBondContact O-CD2 2.86Å; Q183-H187 PolarHBondContact O-N 3.46Å; Q183-H187 VanDerWaalsContact O-N 3.13Å; F184-H187 PolarHBondContact O-N 3.4Å; H187-K190 PolarHBondContact O-N 3.35Å; H187-N191 PolarHBondContact O-N 2.95Å
188	R	87.1	Confident	86.6	Confident	112 Å²	112	85.9 Å²	85.9	42%	0.423	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-47.9	175	-166.5	179.8	-179.5	-161.1	2	112	F184 N185 Y186 K190 N191 I192 T1040 E1043	F184-R188 PolarHBondContact O-N 3.16Å; N185-R188 PolarHBondContact O-N 3.04Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 3.17Å; R188-K190 VanDerWaalsContact C-N 3.34Å; R188-K190 PolarHBondContact O-N 2.86Å; R188-N191 PolarHBondContact O-N 2.83Å; R188-I192 PolarHBondContact O-N 2.94Å; R188-T1040 HydrophobicContact CG-CG2 4.23Å; R188-E1043 IonicContact CZ-OE2 3.8Å; R188-E1043 IonicContact NH1-OE1 2.67Å; R188-E1043 IonicContact NH1-OE2 3.35Å; R188-E1043 PolarHBondContact NH1-OE2 2.91Å
189	K	89.1	Confident	85.9	Confident	46 Å²	46	85.5 Å²	85.5	20%	0.2	41%	0.405	C	S	.	.	H	α-helix	trans	-59	-42.4	175.8	177.9	177.9	177.9	161.6	0	112.3	N185 Y186 N191 I192 A193 F1037 S1041 F1044	N185-K189 WeakPolarHBondContact O-CB 3.48Å; N185-K189 PolarHBondContact O-N 3.11Å; Y186-K189 PolarHBondContact O-N 3.4Å; K189-N191 VanDerWaalsContact C-N 3.32Å; K189-N191 PolarHBondContact O-N 3.18Å; K189-I192 PolarHBondContact O-N 3.19Å; K189-A193 WeakPolarHBondContact O-CB 3.39Å; K189-A193 PolarHBondContact O-N 2.75Å; K189-F1037 HydrophobicContact CG-CE2 4.28Å; K189-S1041 PolarHBondContact NZ-OG 3.46Å; K189-F1044 HydrophobicContact CD-CB 4.18Å; K189-F1044 HydrophobicContact CD-CD1 3.98Å; K189-F1044 HydrophobicContact CD-CG 4.17Å
190	K	87.1	Confident	85.3	Confident	127 Å²	127	87.7 Å²	87.7	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-60.8	-40.1	-179.3	-174.9	-177.9	175.4	-174.8	0	112.1	Y186 H187 R188 A193 A194	Y186-K190 WeakPolarHBondContact O-CB 3.44Å; Y186-K190 PolarHBondContact O-N 3.2Å; H187-K190 PolarHBondContact O-N 3.35Å; R188-K190 VanDerWaalsContact C-N 3.34Å; R188-K190 PolarHBondContact O-N 2.86Å; K190-A193 WeakPolarHBondContact O-CB 2.99Å; K190-A193 PolarHBondContact O-N 3.43Å; K190-A194 PolarHBondContact O-N 2.94Å
191	N	84.1	Confident	84.6	Confident	105 Å²	105	87.7 Å²	87.7	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-67.7	-46	-179.3	-66.5	-12.1	0	0	0	111.5	H187 R188 K189 A193 A194 E195	H187-N191 PolarHBondContact O-N 2.95Å; R188-N191 PolarHBondContact O-N 2.83Å; K189-N191 VanDerWaalsContact C-N 3.32Å; K189-N191 PolarHBondContact O-N 3.18Å; N191-A193 VanDerWaalsContact C-N 3.31Å; N191-A193 PolarHBondContact O-N 3.36Å; N191-A194 WeakPolarHBondContact O-CB 3.42Å; N191-A194 PolarHBondContact O-N 3.49Å; N191-E195 PolarHBondContact O-N 3.43Å
192	I	86.5	Confident	83.8	Confident	23 Å²	23	86.3 Å²	86.3	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-69	-30	179	-57.6	177.4	0	0	0	111.6	R188 K189 A194 E195 R196 V1033 K1036 F1037 T1040	R188-I192 PolarHBondContact O-N 2.94Å; K189-I192 PolarHBondContact O-N 3.19Å; I192-A194 VanDerWaalsContact C-N 3.27Å; I192-A194 PolarHBondContact O-N 3.05Å; I192-E195 PolarHBondContact O-N 3.37Å; I192-R196 PolarHBondContact O-N 2.9Å; I192-V1033 HydrophobicContact CG2-CG1 4.33Å; I192-K1036 HydrophobicContact CG2-CB 4.36Å; I192-F1037 HydrophobicContact CG2-CB 3.87Å; I192-F1037 HydrophobicContact CG2-CD2 4.33Å; I192-T1040 HydrophobicContact CD1-CG2 3.54Å
193	A	83.8	Confident	83	Confident	40 Å²	40	88.6 Å²	88.6	33%	0.331	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-36.3	174.1	0	0	0	0	0	112.9	K189 K190 N191 K197 F1037	K189-A193 WeakPolarHBondContact O-CB 3.39Å; K189-A193 PolarHBondContact O-N 2.75Å; K190-A193 WeakPolarHBondContact O-CB 2.99Å; K190-A193 PolarHBondContact O-N 3.43Å; N191-A193 VanDerWaalsContact C-N 3.31Å; N191-A193 PolarHBondContact O-N 3.36Å; A193-K197 PolarHBondContact O-N 3.13Å; A193-F1037 HydrophobicContact CB-CD2 4.22Å; A193-F1037 HydrophobicContact CB-CE2 3.68Å
194	A	82.9	Confident	82.3	Confident	63 Å²	63	88.2 Å²	88.2	52%	0.521	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-45.3	177	0	0	0	0	0	110.8	K190 N191 I192 R196 K197 E198	K190-A194 PolarHBondContact O-N 2.94Å; N191-A194 WeakPolarHBondContact O-CB 3.42Å; N191-A194 PolarHBondContact O-N 3.49Å; I192-A194 VanDerWaalsContact C-N 3.27Å; I192-A194 PolarHBondContact O-N 3.05Å; A194-R196 VanDerWaalsContact C-N 3.32Å; A194-R196 PolarHBondContact O-N 3.47Å; A194-K197 PolarHBondContact O-N 2.87Å; A194-E198 PolarHBondContact O-N 3.39Å
195	E	82.3	Confident	81.4	Confident	103 Å²	103	86.8 Å²	86.8	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-39.3	177.1	-65.4	178.3	-174.2	0	0	112.4	N191 I192 K197 E198 A199 V1033	N191-E195 PolarHBondContact O-N 3.43Å; I192-E195 PolarHBondContact O-N 3.37Å; E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.34Å; E195-E198 PolarHBondContact O-N 2.95Å; E195-A199 PolarHBondContact O-N 3.37Å; E195-A199 VanDerWaalsContact O-N 3.1Å; E195-V1033 HydrophobicContact CB-CG1 4.01Å
196	R	83.3	Confident	80.4	Confident	109 Å²	109	86.1 Å²	86.1	41%	0.411	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-38.3	177.9	-177.3	-177.6	155.6	-165.6	-3.9	112.5	I192 A194 K200 V1033 F1037	I192-R196 PolarHBondContact O-N 2.9Å; A194-R196 VanDerWaalsContact C-N 3.32Å; A194-R196 PolarHBondContact O-N 3.47Å; R196-K200 PolarHBondContact O-N 3.43Å; R196-V1033 HydrophobicContact CB-CG1 3.83Å; R196-F1037 VanDerWaalsContact NH1-CD1 3.31Å
197	K	80.3	Confident	79.4	Confident	145 Å²	145	85.9 Å²	85.9	63%	0.63	41%	0.407	S	S	*	.	H	α-helix	trans	-67.9	-41.2	-178.3	-173.8	-179.8	176	-174.9	0	111	A193 A194 E195 K200 Q201	A193-K197 PolarHBondContact O-N 3.13Å; A194-K197 PolarHBondContact O-N 2.87Å; E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.34Å; K197-K200 PolarHBondContact O-N 3.44Å; K197-Q201 PolarHBondContact O-N 3.37Å
198	E	78.4	Confident	78.7	Confident	118 Å²	118	89.6 Å²	89.6	55%	0.551	42%	0.416	S	S	*	.	H	α-helix	trans	-62.6	-48.6	175.8	-167.2	175.2	-177.7	0	0	111	A194 E195 K200 Q201 E202	A194-E198 PolarHBondContact O-N 3.39Å; E195-E198 PolarHBondContact O-N 2.95Å; E198-K200 VanDerWaalsContact C-N 3.3Å; E198-K200 PolarHBondContact O-N 3.41Å; E198-Q201 PolarHBondContact O-N 3.25Å; E198-E202 PolarHBondContact O-N 2.79Å
199	A	77.4	Confident	77.9	Confident	0 Å²	0	87 Å²	87	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-62.9	-29.2	179.9	0	0	0	0	0	114.5	E195 L1030	E195-A199 PolarHBondContact O-N 3.37Å; E195-A199 VanDerWaalsContact O-N 3.1Å; A199-L1030 HydrophobicContact CB-CB 4.35Å; A199-L1030 HydrophobicContact CB-CD1 3.96Å
200	K	77.3	Confident	76.8	Confident	120 Å²	120	88.8 Å²	88.8	52%	0.522	42%	0.416	S	S	.	.	H	α-helix	trans	-71.7	-40	177.9	-172.6	-175.9	174.5	-168	0	111.9	R196 K197 E198 E202 K203 E204 L1030	R196-K200 PolarHBondContact O-N 3.43Å; K197-K200 PolarHBondContact O-N 3.44Å; E198-K200 VanDerWaalsContact C-N 3.3Å; E198-K200 PolarHBondContact O-N 3.41Å; K200-E202 VanDerWaalsContact C-N 3.3Å; K200-E202 PolarHBondContact O-N 3.43Å; K200-K203 PolarHBondContact O-N 3.22Å; K200-E204 WeakPolarHBondContact CE-OE1 3.47Å; K200-E204 IonicContact NZ-OE1 3.33Å; K200-L1030 HydrophobicContact CB-CD1 4.15Å
201	Q	74.8	Confident	76	Confident	118 Å²	118	92.9 Å²	92.9	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-65.5	-36.7	179	-69.3	179.6	-32.4	0	0	111	K197 E198 K203	K197-Q201 PolarHBondContact O-N 3.37Å; E198-Q201 PolarHBondContact O-N 3.25Å; Q201-K203 VanDerWaalsContact C-N 3.26Å; Q201-K203 PolarHBondContact O-N 2.91Å
202	E	73.1	Confident	75.3	Confident	36 Å²	36	89.8 Å²	89.8	17%	0.168	41%	0.411	C	S	.	.	H	α-helix	trans	-60.2	-30.3	174.6	-66.9	179	-150.8	0	0	113.5	E198 K200 N1023 A1026 K1029	E198-E202 PolarHBondContact O-N 2.79Å; K200-E202 VanDerWaalsContact C-N 3.3Å; K200-E202 PolarHBondContact O-N 3.43Å; E202-N1023 PolarHBondContact OE2-ND2 3.39Å; E202-A1026 HydrophobicContact CB-CB 3.66Å; E202-K1029 IonicContact OE1-NZ 2.96Å; E202-K1029 PolarHBondContact OE1-NZ 3.19Å; E202-K1029 VanDerWaalsContact OE1-NZ 3.09Å; E202-K1029 IonicContact OE2-NZ 3.61Å
203	K	75.8	Confident	74.5	Confident	70 Å²	70	93.8 Å²	93.8	30%	0.304	43%	0.428	S	S	.	.	H	α-helix	trans	-76.4	-48.3	-177.7	-176.3	-168.3	168.1	-175.5	0	113.3	K200 Q201 E205 A206 E207 L1030	K200-K203 PolarHBondContact O-N 3.22Å; Q201-K203 VanDerWaalsContact C-N 3.26Å; Q201-K203 PolarHBondContact O-N 2.91Å; K203-E205 PolarHBondContact O-N 2.81Å; K203-A206 WeakPolarHBondContact O-CB 3.47Å; K203-A206 PolarHBondContact O-N 3.16Å; K203-E207 WeakPolarHBondContact CE-OE1 3.38Å; K203-E207 IonicContact NZ-OE1 2.85Å; K203-L1030 HydrophobicContact CD-CD2 4.1Å
204	E	72.4	Confident	73.7	Confident	120 Å²	120	96.8 Å²	96.8	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-64.1	-29.7	-173.3	-74.4	174.4	-172.9	0	0	111.9	K200 A206	K200-E204 WeakPolarHBondContact CE-OE1 3.47Å; K200-E204 IonicContact NZ-OE1 3.33Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 2.89Å
205	E	69.9	Low	73.2	Confident	113 Å²	113	98.5 Å²	98.5	53%	0.528	44%	0.436	S	S	.	.	H	α-helix	trans	-68.4	-30.3	173.8	-66.7	-179.8	168.8	0	0	112.2	K203 P1022	K203-E205 PolarHBondContact O-N 2.81Å; E205-P1022 VanDerWaalsContact C-CG 3.45Å; E205-P1022 HydrophobicContact CB-CB 3.94Å; E205-P1022 HydrophobicContact CB-CG 4.05Å
206	A	67.1	Low	72.7	Confident	11 Å²	11	94.4 Å²	94.4	9%	0.091	42%	0.417	C	S	.	.	H	α-helix	trans	-72.3	-38.4	-175	0	0	0	0	0	114.5	K203 E204 P1022	K203-A206 WeakPolarHBondContact O-CB 3.47Å; K203-A206 PolarHBondContact O-N 3.16Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 2.89Å; A206-P1022 HydrophobicContact CB-CB 4.37Å; A206-P1022 HydrophobicContact CB-CG 3.55Å; A206-P1022 VanDerWaalsContact N-CG 3.27Å
207	E	70.3	Confident	72.1	Confident	112 Å²	112	91.1 Å²	91.1	52%	0.523	41%	0.414	S	S	.	.	H	α-helix	trans	-71.1	-33.4	-178.2	-68.5	176.2	179.5	0	0	112.1	K203	K203-E207 WeakPolarHBondContact CE-OE1 3.38Å; K203-E207 IonicContact NZ-OE1 2.85Å
208	R	70.3	Confident	71.6	Confident	190 Å²	190	93.1 Å²	93.1	72%	0.717	42%	0.418	S	S	*	.	H	α-helix	trans	-71.4	-32.9	179	-163.5	178.1	-167.8	-175.3	3.7	112.7	Q210	R208-Q210 VanDerWaalsContact C-N 3.33Å
209	Y	69.5	Low	71.3	Confident	59 Å²	59	89 Å²	89	23%	0.231	40%	0.404	C	S	.	.	H	α-helix	trans	-65.9	-33.3	177.9	-176.7	-97.8	0	0	0	112.5	L1016 I1019 A1021	Y209-L1016 HydrophobicContact CD2-CD1 4.24Å; Y209-L1016 HydrophobicContact CE2-CD1 4.19Å; Y209-L1016 HydrophobicContact CE2-CG 4.4Å; Y209-I1019 HydrophobicContact CD2-CG2 4.3Å; Y209-I1019 WeakPolarHBondContact CD2-O 3.4Å; Y209-A1021 HydrophobicContact CE1-CB 4.26Å; Y209-A1021 HydrophobicContact CE2-CB 4.09Å
210	Q	65.6	Low	71	Confident	82 Å²	82	89.1 Å²	89.1	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-69.7	-42.9	-173.8	-168.5	65.3	20.9	0	0	114.1	R208 L212 K213	R208-Q210 VanDerWaalsContact C-N 3.33Å; Q210-L212 VanDerWaalsContact C-N 3.33Å; Q210-L212 PolarHBondContact O-N 3.37Å; Q210-K213 VanDerWaalsContact O-CB 3.28Å; Q210-K213 WeakPolarHBondContact O-CB 3.43Å; Q210-K213 PolarHBondContact O-N 3.41Å
211	R	70.5	Confident	71	Confident	213 Å²	213	85.3 Å²	85.3	80%	0.804	39%	0.391	S	S	*	.	H	α-helix	trans	-65.2	-34.8	-177.1	-71.3	-176.1	-175.5	171.8	2.5	113.7	K213	R211-K213 VanDerWaalsContact C-N 3.25Å; R211-K213 PolarHBondContact O-N 2.96Å
212	L	69.7	Low	71.1	Confident	40 Å²	40	85.7 Å²	85.7	21%	0.209	39%	0.393	C	S	.	.	H	α-helix	trans	-78.7	-15	-176.3	-163.5	70.6	0	0	0	111.7	Q210 I1015 L1016 I1019	Q210-L212 VanDerWaalsContact C-N 3.33Å; Q210-L212 PolarHBondContact O-N 3.37Å; L212-I1015 HydrophobicContact CD1-CG2 4.4Å; L212-I1015 HydrophobicContact CD2-CB 4.13Å; L212-I1015 HydrophobicContact CD2-CG2 3.64Å; L212-L1016 HydrophobicContact CB-CD1 3.65Å; L212-L1016 HydrophobicContact CD2-CB 3.98Å; L212-L1016 HydrophobicContact CD2-CD1 3.99Å; L212-L1016 HydrophobicContact CG-CB 4.24Å; L212-L1016 HydrophobicContact CG-CD1 3.95Å; L212-I1019 HydrophobicContact CD2-CD1 4.2Å
213	K	69.4	Low	71.2	Confident	108 Å²	108	84.1 Å²	84.1	47%	0.47	39%	0.385	S	S	.	.	H	α-helix	trans	-70.5	-34.4	175.4	-167.3	179.5	174.5	-176.8	0	112.6	Q210 R211	Q210-K213 VanDerWaalsContact O-CB 3.28Å; Q210-K213 WeakPolarHBondContact O-CB 3.43Å; Q210-K213 PolarHBondContact O-N 3.41Å; R211-K213 VanDerWaalsContact C-N 3.25Å; R211-K213 PolarHBondContact O-N 2.96Å
214	D	68.1	Low	71.3	Confident	102 Å²	102	81.4 Å²	81.4	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-75	-31.9	-173.8	-63.8	-21.8	0	0	0	113.5
215	E	71.7	Confident	71.5	Confident	100 Å²	100	76.1 Å²	76.1	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-72.5	-34.4	177.5	-70.3	-176.6	167.3	0	0	112.6	A217	E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 3.33Å
216	V	71.5	Confident	72	Confident	16 Å²	16	70.9 Å²	70.9	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-64.7	-31.2	176.2	168.2	0	0	0	0	111.9	R218 S220 L1009 Q1012 Q1013 L1016	V216-R218 PolarHBondContact O-N 2.86Å; V216-S220 PolarHBondContact O-N 3.27Å; V216-L1009 HydrophobicContact CG1-CD1 4.2Å; V216-Q1012 HydrophobicContact CG2-CB 4.13Å; V216-Q1013 HydrophobicContact CB-CG 4.48Å; V216-Q1013 HydrophobicContact CG1-CG 3.5Å; V216-Q1013 VanDerWaalsContact CG1-CG 3.5Å; V216-Q1013 HydrophobicContact CG2-CG 4.1Å; V216-L1016 HydrophobicContact CG2-CD2 4.12Å
217	A	70.3	Confident	72.4	Confident	41 Å²	41	72.8 Å²	72.8	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-40.2	-177.4	0	0	0	0	0	113.3	E215 S220	E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 3.33Å; A217-S220 PolarHBondContact O-N 3.34Å
218	R	71.1	Confident	72.7	Confident	187 Å²	187	67.4 Å²	67.4	71%	0.706	31%	0.306	S	S	*	.	H	α-helix	trans	-70	-43.7	-176.7	-75.5	-176.5	-73.6	-177.2	-2.8	113.7	V216 S220 V221	V216-R218 PolarHBondContact O-N 2.86Å; R218-S220 PolarHBondContact O-N 3.26Å; R218-V221 PolarHBondContact O-N 2.86Å
219	A	72.4	Confident	73.2	Confident	32 Å²	32	62.8 Å²	62.8	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-66.3	-24.7	178.1	0	0	0	0	0	112.1	L1009	A219-L1009 HydrophobicContact CB-CD1 3.84Å
220	S	70.3	Confident	73.6	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-72.8	-31.3	179	-160.1	0	0	0	0	113	V216 A217 R218 Q222 L223 Q224 Q936 I938	V216-S220 PolarHBondContact O-N 3.27Å; A217-S220 PolarHBondContact O-N 3.34Å; R218-S220 PolarHBondContact O-N 3.26Å; S220-Q222 PolarHBondContact O-N 3.03Å; S220-L223 PolarHBondContact O-N 3.33Å; S220-Q224 VanDerWaalsContact O-CG 3.31Å; S220-Q224 WeakPolarHBondContact O-CG 3.44Å; S220-Q224 PolarHBondContact O-N 3.31Å; S220-Q936 PolarHBondContact OG-OE1 3.43Å; S220-I938 WeakPolarHBondContact OG-CD1 3.38Å
221	V	76.2	Confident	74.1	Confident	39 Å²	39	58.8 Å²	58.8	24%	0.236	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-48.1	179.7	-173.7	0	0	0	0	113.4	R218 L223 Q224 I938 L940	R218-V221 PolarHBondContact O-N 2.86Å; V221-L223 VanDerWaalsContact C-N 3.35Å; V221-L223 PolarHBondContact O-N 3.48Å; V221-Q224 PolarHBondContact O-N 3.22Å; V221-I938 HydrophobicContact CB-CG2 3.56Å; V221-I938 HydrophobicContact CG1-CG2 3.82Å; V221-I938 HydrophobicContact CG2-CB 4.16Å; V221-I938 HydrophobicContact CG2-CG1 4.44Å; V221-I938 HydrophobicContact CG2-CG2 3.29Å; V221-L940 HydrophobicContact CG1-CD2 4.41Å
222	Q	77.1	Confident	74.4	Confident	126 Å²	126	51.5 Å²	51.5	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-67.8	-35.8	-173.6	-171.4	175.7	20.3	0	0	112.6	S220	S220-Q222 PolarHBondContact O-N 3.03Å
223	L	76	Confident	74.8	Confident	3 Å²	3	55 Å²	55	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-34	-179.5	176.6	64.5	0	0	0	112.7	S220 V221 L1005 Q1006 L1009	S220-L223 PolarHBondContact O-N 3.33Å; V221-L223 VanDerWaalsContact C-N 3.35Å; V221-L223 PolarHBondContact O-N 3.48Å; L223-L1005 HydrophobicContact CD1-CB 3.77Å; L223-Q1006 HydrophobicContact CD1-CB 4.44Å; L223-Q1006 HydrophobicContact CD2-CB 4.43Å; L223-L1009 HydrophobicContact CD2-CD2 3.54Å
224	Q	78.1	Confident	75	Confident	14 Å²	14	52.8 Å²	52.8	7%	0.065	26%	0.262	C	S	.	.	H	α-helix	trans	-79.5	-31.6	-174.2	-58.8	-61.9	42.9	0	0	113.3	S220 V221 F226 K227 L228 L929 C933	S220-Q224 VanDerWaalsContact O-CG 3.31Å; S220-Q224 WeakPolarHBondContact O-CG 3.44Å; S220-Q224 PolarHBondContact O-N 3.31Å; V221-Q224 PolarHBondContact O-N 3.22Å; Q224-F226 VanDerWaalsContact C-N 3.25Å; Q224-F226 PolarHBondContact O-N 3.09Å; Q224-K227 PolarHBondContact O-N 3.35Å; Q224-L228 WeakPolarHBondContact O-CD1 3.49Å; Q224-L228 WeakPolarHBondContact O-CG 3.42Å; Q224-L228 PolarHBondContact O-N 3.28Å; Q224-L929 HydrophobicContact CB-CD2 4.48Å; Q224-C933 WeakPolarHBondContact CB-SG 3.28Å; Q224-C933 WeakPolarHBondContact CG-SG 3.44Å
225	L	76.8	Confident	75.3	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-35.9	173.5	-75.4	173.7	0	0	0	112.6	L940 P941 I980 Y982 L985	L225-L940 HydrophobicContact CD2-CD2 3.81Å; L225-L940 HydrophobicContact CG-CD2 3.9Å; L225-P941 HydrophobicContact CD1-CG 3.94Å; L225-P941 HydrophobicContact CD2-CG 4.2Å; L225-I980 HydrophobicContact CD2-CG2 3.89Å; L225-Y982 WeakPolarHBondContact O-CE1 3.32Å; L225-L985 HydrophobicContact CB-CD1 4.44Å
226	F	80.4	Confident	75.5	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-69.5	-42.1	177.8	-177.2	-105.9	0	0	0	112.7	Q224 L228 L985 L989 I998 E1001 T1002	Q224-F226 VanDerWaalsContact C-N 3.25Å; Q224-F226 PolarHBondContact O-N 3.09Å; F226-L228 PolarHBondContact O-N 3.32Å; F226-L985 HydrophobicContact CB-CD1 4.24Å; F226-L985 HydrophobicContact CD2-CD2 4.44Å; F226-L989 HydrophobicContact CD2-CB 3.96Å; F226-L989 HydrophobicContact CD2-CD1 4.4Å; F226-L989 HydrophobicContact CD2-CD2 4.23Å; F226-L989 HydrophobicContact CD2-CG 4.43Å; F226-L989 HydrophobicContact CE2-CB 3.86Å; F226-L989 HydrophobicContact CE2-CD2 3.83Å; F226-L989 HydrophobicContact CE2-CG 4.35Å; F226-L989 WeakPolarHBondContact CE2-O 3.41Å; F226-I998 HydrophobicContact CE1-CG2 4.39Å; F226-E1001 HydrophobicContact CZ-CB 4.17Å; F226-T1002 VanDerWaalsContact CE1-OG1 3.27Å; F226-T1002 WeakPolarHBondContact CE1-OG1 3.4Å
227	K	74.8	Confident	75.6	Confident	51 Å²	51	57 Å²	57	22%	0.222	28%	0.275	C	S	.	.	H	α-helix	trans	-72	-28.8	-177.4	-68.8	177.1	-177.1	169.7	0	113.4	Q224 L929 T1002	Q224-K227 PolarHBondContact O-N 3.35Å; K227-L929 VanDerWaalsContact C-CD1 3.46Å; K227-L929 HydrophobicContact CB-CD1 3.49Å; K227-L929 VanDerWaalsContact CB-CD1 3.49Å; K227-L929 HydrophobicContact CB-CD2 3.47Å; K227-L929 VanDerWaalsContact CB-CD2 3.47Å; K227-L929 HydrophobicContact CB-CG 4.12Å; K227-L929 HydrophobicContact CD-CD2 3.66Å; K227-L929 HydrophobicContact CG-CD2 4.22Å; K227-L929 WeakPolarHBondContact O-CD1 3.5Å; K227-T1002 HydrophobicContact CD-CG2 4.47Å; K227-T1002 VanDerWaalsContact CE-CG2 3.49Å; K227-T1002 HydrophobicContact CG-CG2 4.31Å
228	L	78.1	Confident	75.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-44.6	-175.4	-86.3	158.3	0	0	0	112.9	Q224 F226 H230 N231 R926 L929 L930 L940 I980 Y982	Q224-L228 WeakPolarHBondContact O-CD1 3.49Å; Q224-L228 WeakPolarHBondContact O-CG 3.42Å; Q224-L228 PolarHBondContact O-N 3.28Å; F226-L228 PolarHBondContact O-N 3.32Å; L228-H230 PolarHBondContact O-N 2.95Å; L228-N231 WeakPolarHBondContact O-CB 3.28Å; L228-N231 PolarHBondContact O-N 3.36Å; L228-R926 HydrophobicContact CD2-CG 4.41Å; L228-R926 VanDerWaalsContact CD2-O 3.27Å; L228-R926 WeakPolarHBondContact CD2-O 3.39Å; L228-L929 HydrophobicContact CD1-CB 4.03Å; L228-L929 HydrophobicContact CD2-CB 3.31Å; L228-L929 HydrophobicContact CD2-CD1 4.19Å; L228-L929 HydrophobicContact CD2-CG 4.4Å; L228-L929 HydrophobicContact CG-CB 3.42Å; L228-L929 VanDerWaalsContact CG-CB 3.42Å; L228-L929 HydrophobicContact CG-CD1 4.12Å; L228-L929 HydrophobicContact CG-CG 4.34Å; L228-L930 HydrophobicContact CD1-CD2 4.21Å; L228-L930 HydrophobicContact CD1-CG 4.22Å; L228-L930 HydrophobicContact CD2-CB 4.46Å; L228-L930 HydrophobicContact CD2-CD1 4.33Å; L228-L930 HydrophobicContact CD2-CD2 4.49Å; L228-L930 HydrophobicContact CD2-CG 3.69Å; L228-L940 HydrophobicContact CD1-CD1 4.11Å; L228-I980 HydrophobicContact CB-CD1 4.15Å; L228-I980 HydrophobicContact CD1-CD1 3.73Å; L228-I980 HydrophobicContact CD2-CD1 4.04Å; L228-I980 HydrophobicContact CG-CD1 4.16Å; L228-Y982 HydrophobicContact CB-CE1 4.12Å
229	Y	78.9	Confident	76	Confident	93 Å²	93	49.5 Å²	49.5	37%	0.365	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-46.3	-175.5	179.6	-105.2	0	0	0	113.4	N231 Y982 K990	Y229-N231 VanDerWaalsContact C-N 3.32Å; Y229-N231 PolarHBondContact O-N 2.94Å; Y229-Y982 HydrophobicContact CD2-CD2 4.41Å; Y229-Y982 HydrophobicContact CD2-CE2 4.21Å; Y229-K990 WeakPolarHBondContact CE1-O 3.47Å
230	H	78.2	Confident	76	Confident	47 Å²	47	56.8 Å²	56.8	22%	0.218	27%	0.269	C	S	.	.	H	α-helix	trans	-80.1	-12.8	-178.3	-70.3	-66.8	0	0	0	114.2	L228 I998	L228-H230 PolarHBondContact O-N 2.95Å; H230-I998 HydrophobicContact CB-CD1 4.5Å; H230-I998 HydrophobicContact CB-CG2 4.47Å; H230-I998 WeakPolarHBondContact ND1-CD1 3.4Å
231	N	76.4	Confident	76.1	Confident	10 Å²	10	61.9 Å²	61.9	5%	0.053	29%	0.293	C	S	.	.	H	α-helix	trans	-78.3	-37.7	-177	-164.6	-85.6	0	0	0	113.2	L228 Y229 V233 E234 K922 D925 R926 L929	L228-N231 WeakPolarHBondContact O-CB 3.28Å; L228-N231 PolarHBondContact O-N 3.36Å; Y229-N231 VanDerWaalsContact C-N 3.32Å; Y229-N231 PolarHBondContact O-N 2.94Å; N231-V233 PolarHBondContact O-N 3.06Å; N231-E234 PolarHBondContact O-N 3.48Å; N231-K922 PolarHBondContact OD1-O 3.01Å; N231-D925 WeakPolarHBondContact ND2-CB 3.49Å; N231-D925 PolarHBondContact ND2-OD2 2.84Å; N231-R926 HydrophobicContact CB-CB 4.32Å; N231-R926 VanDerWaalsContact OD1-CB 3.24Å; N231-R926 WeakPolarHBondContact OD1-CB 3.48Å; N231-R926 PolarHBondContact OD1-N 3.39Å; N231-R926 VanDerWaalsContact OD1-N 3.12Å; N231-L929 HydrophobicContact CB-CD1 4.36Å
232	E	77.4	Confident	76.2	Confident	59 Å²	59	61.5 Å²	61.5	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-30.2	-176.1	-82.2	179.5	163.9	0	0	113.6	R926	E232-R926 HydrophobicContact CG-CG 3.87Å; E232-R926 IonicContact OE1-CZ 2.73Å; E232-R926 IonicContact OE1-NE 3.91Å; E232-R926 PolarHBondContact OE1-NE 3.03Å; E232-R926 IonicContact OE1-NH2 3.97Å
233	V	76.8	Confident	76	Confident	115 Å²	115	57.8 Å²	57.8	70%	0.697	29%	0.285	S	S	*	.	H	α-helix	trans	-71	-32.2	-177.6	178.4	0	0	0	0	113.7	N231	N231-V233 PolarHBondContact O-N 3.06Å
234	E	74.1	Confident	76	Confident	60 Å²	60	65.1 Å²	65.1	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-86.2	-21.2	-173.6	-173.3	60.8	-160.8	0	0	113.3	N231 E236 L238 K922	N231-E234 PolarHBondContact O-N 3.48Å; E234-E236 VanDerWaalsContact C-N 3.35Å; E234-E236 PolarHBondContact O-N 3.05Å; E234-L238 HydrophobicContact CG-CD1 4.41Å; E234-K922 HydrophobicContact CB-CD 3.99Å; E234-K922 HydrophobicContact CB-CG 4.16Å; E234-K922 HydrophobicContact CG-CD 3.9Å; E234-K922 HydrophobicContact CG-CG 3.86Å
235	I	75.4	Confident	76	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-39.7	-179.2	-71.2	169.4	0	0	0	112.7	K237 N239 L919 K922 R923 R926	I235-K237 VanDerWaalsContact C-N 3.26Å; I235-K237 PolarHBondContact O-N 3.39Å; I235-N239 PolarHBondContact O-ND2 2.81Å; I235-L919 HydrophobicContact CG2-CD1 4.35Å; I235-L919 WeakPolarHBondContact O-CD1 3.45Å; I235-K922 HydrophobicContact CB-CB 4.46Å; I235-K922 HydrophobicContact CD1-CB 4.48Å; I235-K922 WeakPolarHBondContact CD1-O 3.5Å; I235-K922 VanDerWaalsContact CG1-C 3.43Å; I235-K922 HydrophobicContact CG1-CB 3.44Å; I235-K922 VanDerWaalsContact CG1-CB 3.44Å; I235-R923 HydrophobicContact CB-CG 4.23Å; I235-R923 HydrophobicContact CD1-CB 4.34Å; I235-R923 HydrophobicContact CD1-CG 3.86Å; I235-R923 HydrophobicContact CG1-CG 3.9Å; I235-R923 HydrophobicContact CG2-CG 3.34Å; I235-R926 HydrophobicContact CD1-CB 3.91Å; I235-R926 HydrophobicContact CD1-CG 4.38Å
236	E	74.4	Confident	76	Confident	156 Å²	156	71 Å²	71	73%	0.729	35%	0.345	S	S	*	.	H	α-helix	trans	-66	-30.5	-172.2	-69	-168.9	153.7	0	0	112.8	E234	E234-E236 VanDerWaalsContact C-N 3.35Å; E234-E236 PolarHBondContact O-N 3.05Å
237	K	74.7	Confident	75.8	Confident	146 Å²	146	78.9 Å²	78.9	64%	0.635	38%	0.379	S	S	*	.	H	α-helix	trans	-71.8	-40	-176.6	-170.4	177.2	174.9	-173.9	0	113.1	I235 N239	I235-K237 VanDerWaalsContact C-N 3.26Å; I235-K237 PolarHBondContact O-N 3.39Å; K237-N239 PolarHBondContact O-N 3.48Å
238	L	73.9	Confident	75.9	Confident	17 Å²	17	81.1 Å²	81.1	9%	0.089	39%	0.39	C	S	.	.	H	α-helix	trans	-78	-17	-171	-69.4	156.3	0	0	0	114.3	E234 K240 K918 L919 K922	E234-L238 HydrophobicContact CG-CD1 4.41Å; L238-K240 VanDerWaalsContact C-N 3.34Å; L238-K240 PolarHBondContact O-N 3.41Å; L238-K918 HydrophobicContact CD1-CB 3.97Å; L238-K918 WeakPolarHBondContact CD1-O 3.47Å; L238-K918 HydrophobicContact CD2-CB 3.75Å; L238-K918 HydrophobicContact CD2-CD 4.29Å; L238-K918 HydrophobicContact CG-CB 4.46Å; L238-L919 HydrophobicContact CB-CB 3.67Å; L238-L919 HydrophobicContact CB-CD1 3.62Å; L238-L919 HydrophobicContact CB-CG 4.22Å; L238-K922 HydrophobicContact CD1-CB 4.5Å; L238-K922 HydrophobicContact CD1-CG 4.01Å
239	N	76.1	Confident	75.8	Confident	54 Å²	54	81.9 Å²	81.9	29%	0.289	39%	0.394	S	S	.	.	H	α-helix	trans	-66.4	-33.3	-179.3	-83.5	-76.3	0	0	0	113.4	I235 K237 L919 R923	I235-N239 PolarHBondContact O-ND2 2.81Å; K237-N239 PolarHBondContact O-N 3.48Å; N239-L919 HydrophobicContact CB-CD1 4.26Å; N239-L919 HydrophobicContact CB-CD2 4.36Å; N239-L919 VanDerWaalsContact CG-CD1 3.47Å; N239-L919 WeakPolarHBondContact ND2-CD1 3.45Å; N239-L919 VanDerWaalsContact OD1-CD2 3.27Å; N239-L919 WeakPolarHBondContact OD1-CD2 3.5Å; N239-R923 VanDerWaalsContact CG-NH2 3.27Å; N239-R923 VanDerWaalsContact ND2-CZ 3.3Å; N239-R923 PolarHBondContact ND2-NH2 2.98Å; N239-R923 PolarHBondContact OD1-NH1 2.95Å; N239-R923 PolarHBondContact OD1-NH2 3.42Å
240	K	71.7	Confident	75.7	Confident	186 Å²	186	82.3 Å²	82.3	81%	0.809	40%	0.403	S	S	*	.	H	α-helix	trans	-71.6	-29.4	-175.8	-75.8	179.6	178	173.3	0	112.9	L238	L238-K240 VanDerWaalsContact C-N 3.34Å; L238-K240 PolarHBondContact O-N 3.41Å
241	E	73.5	Confident	75.7	Confident	108 Å²	108	87.6 Å²	87.6	51%	0.505	43%	0.425	S	S	.	.	H	α-helix	trans	-79.3	-27.5	-178.3	-68	-178.4	170.2	0	0	112.9	G243 I915	E241-G243 PolarHBondContact O-N 3.22Å; E241-I915 HydrophobicContact CB-CD1 4.39Å; E241-I915 HydrophobicContact CB-CG2 3.79Å
242	L	77.4	Confident	75.7	Confident	31 Å²	31	88.6 Å²	88.6	16%	0.162	43%	0.43	C	S	.	.	H	α-helix	trans	-58.1	-43.9	-178.6	-144.3	97	0	0	0	114.6	Q244 R245 I915 E916 L919	L242-Q244 VanDerWaalsContact C-N 3.25Å; L242-Q244 PolarHBondContact O-N 3.37Å; L242-R245 PolarHBondContact O-N 3.03Å; L242-I915 HydrophobicContact CB-CG2 4.45Å; L242-I915 HydrophobicContact CD1-CB 4.46Å; L242-I915 HydrophobicContact CD1-CG2 3.89Å; L242-E916 HydrophobicContact CD1-CB 3.8Å; L242-E916 HydrophobicContact CD1-CG 3.11Å; L242-E916 HydrophobicContact CD2-CG 3.7Å; L242-E916 HydrophobicContact CG-CG 3.48Å; L242-E916 VanDerWaalsContact CG-CG 3.48Å; L242-L919 HydrophobicContact CD1-CB 4.21Å; L242-L919 HydrophobicContact CD1-CD2 3.57Å; L242-L919 HydrophobicContact CD2-CD2 4.39Å; L242-L919 HydrophobicContact CG-CD2 4.44Å
243	G	73.4	Confident	75.7	Confident	49 Å²	49	92.2 Å²	92.2	51%	0.505	44%	0.441	S	S	.	.	H	α-helix	trans	-69.4	-19.5	-165.2	0	0	0	0	0	114.5	E241	E241-G243 PolarHBondContact O-N 3.22Å
244	Q	75.8	Confident	75.8	Confident	157 Å²	157	94.4 Å²	94.4	73%	0.734	44%	0.442	S	S	*	.	H	α-helix	trans	-83	-37.5	-179.1	-67.8	-179.6	-2.5	0	0	112.4	L242	L242-Q244 VanDerWaalsContact C-N 3.25Å; L242-Q244 PolarHBondContact O-N 3.37Å
245	R	78.1	Confident	76	Confident	89 Å²	89	97.7 Å²	97.7	34%	0.336	46%	0.455	S	S	.	.	H	α-helix	trans	-80.2	-26.4	-173.2	-65	-56.9	-160.7	117.8	10.7	114	L242 K247 E248 E911 V912 I915	L242-R245 PolarHBondContact O-N 3.03Å; R245-K247 VanDerWaalsContact C-N 3.28Å; R245-K247 PolarHBondContact O-N 3.48Å; R245-E248 PolarHBondContact O-N 3.16Å; R245-E911 IonicContact CZ-OE2 3.32Å; R245-E911 IonicContact NH1-OE2 3.55Å; R245-E911 PolarHBondContact NH1-OE2 3.48Å; R245-E911 IonicContact NH2-OE2 2.81Å; R245-E911 PolarHBondContact NH2-OE2 3.04Å; R245-V912 VanDerWaalsContact C-CG2 3.4Å; R245-V912 HydrophobicContact CB-CB 4.48Å; R245-V912 HydrophobicContact CB-CG2 3.27Å; R245-V912 WeakPolarHBondContact O-CG2 3.49Å; R245-I915 HydrophobicContact CG-CD1 4.15Å
246	N	76.2	Confident	76.2	Confident	58 Å²	58	99 Å²	99	31%	0.31	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-25.2	177.9	-91.4	-39	0	0	0	114.6	E248 V912 E916	N246-E248 VanDerWaalsContact C-N 3.32Å; N246-E248 PolarHBondContact O-N 2.99Å; N246-V912 WeakPolarHBondContact OD1-CG1 3.45Å; N246-E916 PolarHBondContact ND2-OE1 3.26Å
247	K	76.6	Confident	76.4	Confident	166 Å²	166	95.2 Å²	95.2	72%	0.722	45%	0.446	S	S	*	.	H	α-helix	trans	-71.8	-21.2	178.8	-74.7	179.8	179.4	174.6	0	114.4	R245	R245-K247 VanDerWaalsContact C-N 3.28Å; R245-K247 PolarHBondContact O-N 3.48Å
248	E	76.1	Confident	76.7	Confident	99 Å²	99	93.9 Å²	93.9	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-84.4	-34	-178.8	-67.3	178.8	163.3	0	0	111.7	R245 N246 D250 K251 L908	R245-E248 PolarHBondContact O-N 3.16Å; N246-E248 VanDerWaalsContact C-N 3.32Å; N246-E248 PolarHBondContact O-N 2.99Å; E248-D250 PolarHBondContact O-N 3.14Å; E248-K251 PolarHBondContact O-N 3.09Å; E248-L908 HydrophobicContact CB-CD1 4.5Å
249	I	77.3	Confident	77	Confident	15 Å²	15	94.3 Å²	94.3	8%	0.077	45%	0.445	C	S	.	.	H	α-helix	trans	-59.8	-41.6	178.1	-71.2	177.7	0	0	0	112.8	K251 D252 R253 L905 L908 Q909 V912	I249-K251 PolarHBondContact O-N 3.36Å; I249-D252 PolarHBondContact O-N 3.39Å; I249-R253 PolarHBondContact O-N 2.99Å; I249-L905 HydrophobicContact CG2-CD1 4.01Å; I249-L908 HydrophobicContact CG1-CB 4.1Å; I249-Q909 HydrophobicContact CD1-CB 4.29Å; I249-Q909 HydrophobicContact CD1-CG 3.63Å; I249-Q909 HydrophobicContact CG1-CG 4.14Å; I249-Q909 HydrophobicContact CG2-CG 4.11Å; I249-V912 HydrophobicContact CD1-CB 3.58Å; I249-V912 HydrophobicContact CD1-CG1 3.92Å; I249-V912 HydrophobicContact CD1-CG2 3.35Å; I249-V912 HydrophobicContact CG1-CG2 4.17Å
250	D	76.1	Confident	77.2	Confident	102 Å²	102	96.6 Å²	96.6	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-25	-175.9	-92.6	-8.4	0	0	0	113.5	E248	E248-D250 PolarHBondContact O-N 3.14Å
251	K	77.5	Confident	77.7	Confident	159 Å²	159	93.6 Å²	93.6	69%	0.691	44%	0.443	S	S	*	.	H	α-helix	trans	-75.5	-40.7	177.1	-72.8	-177.1	-178.9	175.1	0	112.4	E248 I249	E248-K251 PolarHBondContact O-N 3.09Å; I249-K251 PolarHBondContact O-N 3.36Å
252	D	76.8	Confident	78.2	Confident	30 Å²	30	92.7 Å²	92.7	16%	0.16	44%	0.439	C	S	.	.	H	α-helix	trans	-82.3	-24.7	-177.9	-73.7	-23.8	0	0	0	112.6	I249 K254 K255 M256 L905 L908	I249-D252 PolarHBondContact O-N 3.39Å; D252-K254 VanDerWaalsContact C-N 3.33Å; D252-K254 PolarHBondContact O-N 3.23Å; D252-K255 PolarHBondContact O-N 2.8Å; D252-K255 IonicContact OD1-NZ 3.88Å; D252-K255 PolarHBondContact OD1-NZ 3.45Å; D252-M256 PolarHBondContact O-N 3.08Å; D252-L905 HydrophobicContact CB-CD1 3.86Å; D252-L908 WeakPolarHBondContact OD2-CD1 3.5Å
253	R	78.4	Confident	78.4	Confident	135 Å²	135	92.6 Å²	92.6	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-58.2	-43.1	172.4	-165.1	175.7	-174.5	178.1	3.1	112.3	I249 K255 M256 D257 L905	I249-R253 PolarHBondContact O-N 2.99Å; R253-K255 VanDerWaalsContact C-N 3.27Å; R253-K255 PolarHBondContact O-N 3.32Å; R253-M256 WeakPolarHBondContact O-CB 3.42Å; R253-M256 PolarHBondContact O-N 3.18Å; R253-M256 VanDerWaalsContact O-N 3.11Å; R253-D257 PolarHBondContact O-N 3.37Å; R253-D257 VanDerWaalsContact O-N 3.11Å; R253-L905 HydrophobicContact CB-CD1 4.28Å; R253-L905 HydrophobicContact CB-CD2 4.46Å
254	K	79.2	Confident	78.9	Confident	162 Å²	162	96.6 Å²	96.6	70%	0.704	44%	0.442	S	S	*	.	H	α-helix	trans	-62.3	-29.4	177.6	-71.3	-178.7	178.6	178.9	0	113.9	D252	D252-K254 VanDerWaalsContact C-N 3.33Å; D252-K254 PolarHBondContact O-N 3.23Å
255	K	77.3	Confident	79.3	Confident	128 Å²	128	93 Å²	93	56%	0.557	43%	0.428	S	S	*	.	H	α-helix	trans	-75.4	-35.4	175.5	-63.5	175.5	-170	152.4	0	111.5	D252 R253	D252-K255 PolarHBondContact O-N 2.8Å; D252-K255 IonicContact OD1-NZ 3.88Å; D252-K255 PolarHBondContact OD1-NZ 3.45Å; R253-K255 VanDerWaalsContact C-N 3.27Å; R253-K255 PolarHBondContact O-N 3.32Å
256	M	79.4	Confident	79.5	Confident	31 Å²	31	91.5 Å²	91.5	15%	0.153	42%	0.424	C	S	.	.	H	α-helix	trans	-66.9	-43.6	178.1	-171.8	-170.7	75	0	0	111.7	D252 R253 H258 V259 E260 L898 L905	D252-M256 PolarHBondContact O-N 3.08Å; R253-M256 WeakPolarHBondContact O-CB 3.42Å; R253-M256 PolarHBondContact O-N 3.18Å; R253-M256 VanDerWaalsContact O-N 3.11Å; M256-H258 PolarHBondContact O-N 3.47Å; M256-V259 PolarHBondContact O-N 2.88Å; M256-V259 VanDerWaalsContact O-N 3.09Å; M256-E260 PolarHBondContact O-N 3.36Å; M256-L898 HydrophobicContact CG-CD1 3.96Å; M256-L905 HydrophobicContact CB-CD2 4.42Å; M256-L905 HydrophobicContact CE-CD2 4.06Å; M256-L905 HydrophobicContact SD-CD2 3.54Å; M256-L905 VanDerWaalsContact SD-CD2 3.54Å
257	D	79.5	Confident	79.7	Confident	77 Å²	77	95.5 Å²	95.5	41%	0.412	44%	0.438	S	S	.	.	H	α-helix	trans	-57	-37.3	-179.4	-65	-20.3	0	0	0	111.9	R253 E260 E261	R253-D257 PolarHBondContact O-N 3.37Å; R253-D257 VanDerWaalsContact O-N 3.11Å; D257-E260 PolarHBondContact O-N 2.88Å; D257-E261 PolarHBondContact O-N 3.08Å; D257-E261 VanDerWaalsContact O-N 3.08Å
258	H	80.3	Confident	80.1	Confident	118 Å²	118	93.5 Å²	93.5	55%	0.546	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-41	177.4	-170.8	52	0	0	0	113	M256 E261 E262	M256-H258 PolarHBondContact O-N 3.47Å; H258-E261 PolarHBondContact O-N 3.28Å; H258-E262 PolarHBondContact O-N 3.4Å
259	V	80.8	Confident	80.5	Confident	26 Å²	26	92.3 Å²	92.3	16%	0.158	42%	0.424	C	S	.	.	H	α-helix	trans	-73.2	-30.2	178.1	-176.5	0	0	0	0	111.3	M256 L263 I894 K897 L898	M256-V259 PolarHBondContact O-N 2.88Å; M256-V259 VanDerWaalsContact O-N 3.09Å; V259-L263 PolarHBondContact O-N 2.89Å; V259-L263 VanDerWaalsContact O-N 3.14Å; V259-I894 HydrophobicContact CG1-CG2 4.36Å; V259-K897 HydrophobicContact CG1-CB 4.36Å; V259-L898 HydrophobicContact CB-CD1 4.12Å; V259-L898 HydrophobicContact CG1-CB 3.87Å; V259-L898 HydrophobicContact CG1-CD1 4.04Å
260	E	78.9	Confident	80.8	Confident	103 Å²	103	92.5 Å²	92.5	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-69.9	-34.7	175	-167.7	169.7	-170	0	0	112.2	M256 D257 L263 K264 L898	M256-E260 PolarHBondContact O-N 3.36Å; D257-E260 PolarHBondContact O-N 2.88Å; E260-L263 PolarHBondContact O-N 3.29Å; E260-K264 WeakPolarHBondContact O-CB 2.86Å; E260-K264 PolarHBondContact O-N 2.92Å; E260-L898 HydrophobicContact CB-CD1 4.33Å
261	E	83.3	Confident	81.2	Confident	123 Å²	123	88.9 Å²	88.9	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-65	-44.2	173.8	-164.1	164.5	-153	0	0	111.8	D257 H258 L263 K264 D265	D257-E261 PolarHBondContact O-N 3.08Å; D257-E261 VanDerWaalsContact O-N 3.08Å; H258-E261 PolarHBondContact O-N 3.28Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 2.68Å; E261-K264 WeakPolarHBondContact O-CB 3.45Å; E261-K264 PolarHBondContact O-N 2.8Å; E261-K264 VanDerWaalsContact O-N 3.16Å; E261-D265 PolarHBondContact O-N 3.48Å
262	E	83.1	Confident	81.8	Confident	89 Å²	89	88.3 Å²	88.3	42%	0.416	41%	0.406	S	S	.	.	H	α-helix	trans	-58.8	-41.5	172.8	-69.6	-173.2	160.7	0	0	112.5	H258 K264 D265 K266	H258-E262 PolarHBondContact O-N 3.4Å; E262-K264 VanDerWaalsContact C-N 3.34Å; E262-K264 PolarHBondContact O-N 3.5Å; E262-D265 PolarHBondContact O-N 2.91Å; E262-K266 PolarHBondContact O-N 3.08Å
263	L	82.6	Confident	82.3	Confident	28 Å²	28	87.5 Å²	87.5	15%	0.147	40%	0.401	C	S	.	.	H	α-helix	trans	-64.4	-38.8	176.9	-175	71.8	0	0	0	111.7	V259 E260 E261 K267 M891 I894 R895 L898	V259-L263 PolarHBondContact O-N 2.89Å; V259-L263 VanDerWaalsContact O-N 3.14Å; E260-L263 PolarHBondContact O-N 3.29Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 2.68Å; L263-K267 VanDerWaalsContact O-CB 3.29Å; L263-K267 WeakPolarHBondContact O-CB 3.44Å; L263-K267 PolarHBondContact O-N 2.98Å; L263-M891 HydrophobicContact CD1-CE 3.39Å; L263-M891 HydrophobicContact CD1-SD 3.75Å; L263-M891 HydrophobicContact CG-CE 4.11Å; L263-I894 HydrophobicContact CB-CG2 4.03Å; L263-I894 HydrophobicContact CD1-CB 4.35Å; L263-I894 HydrophobicContact CD1-CG2 3.98Å; L263-R895 HydrophobicContact CD1-CG 3.86Å; L263-L898 HydrophobicContact CD2-CD2 3.68Å
264	K	83.1	Confident	82.4	Confident	134 Å²	134	85.1 Å²	85.1	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-64.6	-41	-179.4	-173.1	179.5	-178.3	180	0	111.6	E260 E261 E262 K267 K268	E260-K264 WeakPolarHBondContact O-CB 2.86Å; E260-K264 PolarHBondContact O-N 2.92Å; E261-K264 WeakPolarHBondContact O-CB 3.45Å; E261-K264 PolarHBondContact O-N 2.8Å; E261-K264 VanDerWaalsContact O-N 3.16Å; E262-K264 VanDerWaalsContact C-N 3.34Å; E262-K264 PolarHBondContact O-N 3.5Å; K264-K267 PolarHBondContact O-N 2.92Å; K264-K268 WeakPolarHBondContact O-CG 3.48Å; K264-K268 PolarHBondContact O-N 2.81Å; K264-K268 VanDerWaalsContact O-N 3.16Å
265	D	84.7	Confident	82.8	Confident	82 Å²	82	86.2 Å²	86.2	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-71.9	-41.1	-179.8	-73.5	-21.2	0	0	0	112.2	E261 E262 K267 K268 E269	E261-D265 PolarHBondContact O-N 3.48Å; E262-D265 PolarHBondContact O-N 2.91Å; D265-K267 VanDerWaalsContact C-N 3.31Å; D265-K267 PolarHBondContact O-N 3.34Å; D265-K268 WeakPolarHBondContact O-CB 3.41Å; D265-K268 PolarHBondContact O-N 3.01Å; D265-K268 VanDerWaalsContact O-N 3.17Å; D265-K268 IonicContact OD1-NZ 3.32Å; D265-K268 PolarHBondContact OD1-NZ 3.13Å; D265-E269 PolarHBondContact O-N 3.2Å; D265-E269 VanDerWaalsContact O-N 3.16Å
266	K	82.6	Confident	83.3	Confident	57 Å²	57	83 Å²	83	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-33.7	172.8	-69.5	-70.3	-177.6	173.9	0	113.3	E262 E269 L270 E890 M891 I894	E262-K266 PolarHBondContact O-N 3.08Å; K266-E269 IonicContact NZ-OE2 2.84Å; K266-E269 PolarHBondContact O-N 2.91Å; K266-L270 PolarHBondContact O-N 3.4Å; K266-E890 IonicContact NZ-OE2 3.08Å; K266-E890 PolarHBondContact NZ-OE2 3.36Å; K266-M891 HydrophobicContact CB-CG 4.26Å; K266-M891 HydrophobicContact CB-SD 3.43Å; K266-M891 WeakPolarHBondContact CB-SD 3.35Å; K266-I894 HydrophobicContact CB-CD1 4.47Å; K266-I894 HydrophobicContact CG-CD1 3.77Å
267	K	80.4	Confident	83.7	Confident	141 Å²	141	83.1 Å²	83.1	61%	0.613	38%	0.384	S	S	*	.	H	α-helix	trans	-66.4	-35.7	173.8	-169.5	177.7	-178.5	-179.1	0	112.6	L263 K264 D265 G271 M891	L263-K267 VanDerWaalsContact O-CB 3.29Å; L263-K267 WeakPolarHBondContact O-CB 3.44Å; L263-K267 PolarHBondContact O-N 2.98Å; K264-K267 PolarHBondContact O-N 2.92Å; D265-K267 VanDerWaalsContact C-N 3.31Å; D265-K267 PolarHBondContact O-N 3.34Å; K267-G271 PolarHBondContact O-N 2.93Å; K267-M891 HydrophobicContact CB-CE 4.03Å; K267-M891 HydrophobicContact CB-SD 4.41Å; K267-M891 HydrophobicContact CG-CE 4.46Å
268	K	84.9	Confident	83.9	Confident	124 Å²	124	85.5 Å²	85.5	54%	0.539	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-43.1	173.7	-70.1	170.9	-168.5	153.8	0	111.3	K264 D265 G271 R272	K264-K268 WeakPolarHBondContact O-CG 3.48Å; K264-K268 PolarHBondContact O-N 2.81Å; K264-K268 VanDerWaalsContact O-N 3.16Å; D265-K268 WeakPolarHBondContact O-CB 3.41Å; D265-K268 PolarHBondContact O-N 3.01Å; D265-K268 VanDerWaalsContact O-N 3.17Å; D265-K268 IonicContact OD1-NZ 3.32Å; D265-K268 PolarHBondContact OD1-NZ 3.13Å; K268-G271 PolarHBondContact O-N 3.23Å; K268-R272 PolarHBondContact O-N 3.11Å
269	E	84.2	Confident	84.3	Confident	74 Å²	74	83.5 Å²	83.5	35%	0.346	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-46.5	177	-69.1	-170.8	152.3	0	0	111.9	D265 K266 G271 R272 L273	D265-E269 PolarHBondContact O-N 3.2Å; D265-E269 VanDerWaalsContact O-N 3.16Å; K266-E269 IonicContact NZ-OE2 2.84Å; K266-E269 PolarHBondContact O-N 2.91Å; E269-G271 VanDerWaalsContact C-N 3.33Å; E269-G271 PolarHBondContact O-N 3Å; E269-R272 WeakPolarHBondContact O-CB 3.49Å; E269-R272 PolarHBondContact O-N 3.41Å; E269-R272 VanDerWaalsContact O-N 3.16Å; E269-L273 PolarHBondContact O-N 3.32Å
270	L	84.8	Confident	84.8	Confident	19 Å²	19	83 Å²	83	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-59.5	-44	175.2	-177.2	70.4	0	0	0	111.6	K266 R272 L273 M274 V884 K887 N888	K266-L270 PolarHBondContact O-N 3.4Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.06Å; L270-L273 PolarHBondContact O-N 3.47Å; L270-M274 HydrophobicContact CG-SD 4.38Å; L270-M274 WeakPolarHBondContact O-CG 3.48Å; L270-M274 PolarHBondContact O-N 3.45Å; L270-V884 HydrophobicContact CD1-CG1 4.14Å; L270-K887 HydrophobicContact CD1-CB 4.11Å; L270-N888 WeakPolarHBondContact CD2-OD1 3.29Å
271	G	83.1	Confident	85.1	Confident	27 Å²	27	82.1 Å²	82.1	28%	0.278	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-33.2	176.4	0	0	0	0	0	113.5	K267 K268 E269 R275	K267-G271 PolarHBondContact O-N 2.93Å; K268-G271 PolarHBondContact O-N 3.23Å; E269-G271 VanDerWaalsContact C-N 3.33Å; E269-G271 PolarHBondContact O-N 3Å; G271-R275 WeakPolarHBondContact O-CG 3.44Å; G271-R275 PolarHBondContact O-N 3.33Å
272	R	89.6	Confident	85.3	Confident	147 Å²	147	82.6 Å²	82.6	56%	0.555	38%	0.381	S	S	*	.	H	α-helix	trans	-67.5	-50.3	173.1	-170.3	-175.1	70.4	-163.5	-5.3	111	K268 E269 L270 M274 R275 E276	K268-R272 PolarHBondContact O-N 3.11Å; E269-R272 WeakPolarHBondContact O-CB 3.49Å; E269-R272 PolarHBondContact O-N 3.41Å; E269-R272 VanDerWaalsContact O-N 3.16Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.06Å; R272-M274 VanDerWaalsContact C-N 3.34Å; R272-M274 PolarHBondContact O-N 3.21Å; R272-R275 PolarHBondContact O-N 3.05Å; R272-R275 VanDerWaalsContact O-N 3.15Å; R272-E276 WeakPolarHBondContact CG-OE1 3.25Å; R272-E276 IonicContact NE-OE1 2.96Å; R272-E276 PolarHBondContact O-N 3.14Å
273	L	87.4	Confident	85.6	Confident	12 Å²	12	82.7 Å²	82.7	6%	0.063	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-37.9	-179.7	-69.4	172.4	0	0	0	112.7	E269 L270 R275 E276 Q277 K880 E883 V884 K887	E269-L273 PolarHBondContact O-N 3.32Å; L270-L273 PolarHBondContact O-N 3.47Å; L273-R275 VanDerWaalsContact C-N 3.35Å; L273-R275 PolarHBondContact O-N 3.5Å; L273-E276 PolarHBondContact O-N 3.28Å; L273-Q277 WeakPolarHBondContact O-CB 3.39Å; L273-Q277 PolarHBondContact O-N 3.33Å; L273-K880 HydrophobicContact CD2-CD 4.41Å; L273-E883 HydrophobicContact CD1-CB 4.4Å; L273-E883 WeakPolarHBondContact CD2-OE2 3.39Å; L273-V884 HydrophobicContact CB-CG2 3.81Å; L273-K887 HydrophobicContact CD1-CB 4.46Å; L273-K887 HydrophobicContact CD1-CG 3.83Å
274	M	82.1	Confident	85.9	Confident	85 Å²	85	82.6 Å²	82.6	42%	0.419	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-35.8	175	-72.1	-173.5	80.1	0	0	112.7	L270 R272 Q277 Q278 V884	L270-M274 HydrophobicContact CG-SD 4.38Å; L270-M274 WeakPolarHBondContact O-CG 3.48Å; L270-M274 PolarHBondContact O-N 3.45Å; R272-M274 VanDerWaalsContact C-N 3.34Å; R272-M274 PolarHBondContact O-N 3.21Å; M274-Q277 PolarHBondContact O-N 3.43Å; M274-Q278 WeakPolarHBondContact O-CG 3.47Å; M274-Q278 PolarHBondContact O-N 2.84Å; M274-V884 HydrophobicContact CG-CG1 4.17Å; M274-V884 HydrophobicContact CG-CG2 4.39Å
275	R	87.3	Confident	85.9	Confident	185 Å²	185	82.9 Å²	82.9	70%	0.698	38%	0.382	S	S	*	.	H	α-helix	trans	-68.7	-43.4	174.7	-72	173	-171	167.9	2.8	111.4	G271 R272 L273 Q277 Q278 T279	G271-R275 WeakPolarHBondContact O-CG 3.44Å; G271-R275 PolarHBondContact O-N 3.33Å; R272-R275 PolarHBondContact O-N 3.05Å; R272-R275 VanDerWaalsContact O-N 3.15Å; L273-R275 VanDerWaalsContact C-N 3.35Å; L273-R275 PolarHBondContact O-N 3.5Å; R275-Q277 VanDerWaalsContact C-N 3.3Å; R275-Q277 PolarHBondContact O-N 3.11Å; R275-Q278 PolarHBondContact O-N 3.32Å; R275-T279 PolarHBondContact O-N 3.17Å; R275-T279 PolarHBondContact O-OG1 3.23Å
276	E	87.1	Confident	86.1	Confident	62 Å²	62	84.1 Å²	84.1	29%	0.29	39%	0.385	S	S	.	.	H	α-helix	trans	-59.1	-40.9	174.1	-71.1	171.7	-161.2	0	0	111.5	R272 L273 T279 I280 K880	R272-E276 WeakPolarHBondContact CG-OE1 3.25Å; R272-E276 IonicContact NE-OE1 2.96Å; R272-E276 PolarHBondContact O-N 3.14Å; L273-E276 PolarHBondContact O-N 3.28Å; E276-T279 WeakPolarHBondContact CA-OG1 3.15Å; E276-T279 PolarHBondContact O-N 3.29Å; E276-T279 PolarHBondContact O-OG1 2.96Å; E276-I280 VanDerWaalsContact O-CG1 3.31Å; E276-I280 WeakPolarHBondContact O-CG1 3.48Å; E276-I280 PolarHBondContact O-N 3.08Å; E276-I280 VanDerWaalsContact O-N 3.15Å; E276-K880 IonicContact OE2-NZ 3.52Å; E276-K880 PolarHBondContact OE2-NZ 3.34Å
277	Q	88.1	Confident	86.3	Confident	33 Å²	33	83.9 Å²	83.9	15%	0.154	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-45.5	174.6	-172.4	-171	4.9	0	0	111.8	L273 M274 R275 T279 I280 E281 H877	L273-Q277 WeakPolarHBondContact O-CB 3.39Å; L273-Q277 PolarHBondContact O-N 3.33Å; M274-Q277 PolarHBondContact O-N 3.43Å; R275-Q277 VanDerWaalsContact C-N 3.3Å; R275-Q277 PolarHBondContact O-N 3.11Å; Q277-T279 PolarHBondContact O-N 2.99Å; Q277-I280 PolarHBondContact O-N 2.71Å; Q277-E281 PolarHBondContact O-N 3.17Å; Q277-H877 PolarHBondContact NE2-NE2 2.95Å
278	Q	84.1	Confident	86.4	Confident	126 Å²	126	80.4 Å²	80.4	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-65.6	-35.6	178.7	-77.8	-179.3	-9.1	0	0	112.9	M274 R275 E281 K282	M274-Q278 WeakPolarHBondContact O-CG 3.47Å; M274-Q278 PolarHBondContact O-N 2.84Å; R275-Q278 PolarHBondContact O-N 3.32Å; Q278-E281 PolarHBondContact O-N 3.39Å; Q278-K282 PolarHBondContact O-N 2.93Å
279	T	89.2	Confident	86.4	Confident	76 Å²	76	77.3 Å²	77.3	47%	0.466	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-44.8	175.1	45.7	0	0	0	0	111.2	R275 E276 Q277 E281 K282 E283	R275-T279 PolarHBondContact O-N 3.17Å; R275-T279 PolarHBondContact O-OG1 3.23Å; E276-T279 WeakPolarHBondContact CA-OG1 3.15Å; E276-T279 PolarHBondContact O-N 3.29Å; E276-T279 PolarHBondContact O-OG1 2.96Å; Q277-T279 PolarHBondContact O-N 2.99Å; T279-E281 VanDerWaalsContact C-N 3.32Å; T279-E281 PolarHBondContact O-N 3.39Å; T279-K282 WeakPolarHBondContact O-CB 3.4Å; T279-K282 PolarHBondContact O-N 2.87Å; T279-E283 WeakPolarHBondContact O-CG 3.19Å; T279-E283 PolarHBondContact O-N 2.98Å
280	I	90	Very high	86.6	Confident	16 Å²	16	77 Å²	77	8%	0.082	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-40.5	176.4	-63.9	165.5	0	0	0	110.5	E276 Q277 K282 E283 I284 L873 Q876 H877 K880	E276-I280 VanDerWaalsContact O-CG1 3.31Å; E276-I280 WeakPolarHBondContact O-CG1 3.48Å; E276-I280 PolarHBondContact O-N 3.08Å; E276-I280 VanDerWaalsContact O-N 3.15Å; Q277-I280 PolarHBondContact O-N 2.71Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 3.35Å; I280-E283 PolarHBondContact O-N 2.88Å; I280-I284 HydrophobicContact CG2-CD1 4.15Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.48Å; I280-I284 PolarHBondContact O-N 3.48Å; I280-L873 HydrophobicContact CG2-CD2 4.32Å; I280-L873 WeakPolarHBondContact CG2-O 3.44Å; I280-Q876 HydrophobicContact CD1-CB 4.36Å; I280-H877 HydrophobicContact CG2-CB 3.84Å; I280-K880 HydrophobicContact CD1-CG 3.91Å
281	E	84.7	Confident	86.7	Confident	85 Å²	85	76.4 Å²	76.4	40%	0.397	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-35.9	176.8	-165.7	-176.3	168.6	0	0	112.5	Q277 Q278 T279 K285	Q277-E281 PolarHBondContact O-N 3.17Å; Q278-E281 PolarHBondContact O-N 3.39Å; T279-E281 VanDerWaalsContact C-N 3.32Å; T279-E281 PolarHBondContact O-N 3.39Å; E281-K285 PolarHBondContact O-N 3.33Å; E281-K285 IonicContact OE1-NZ 3.1Å
282	K	88.1	Confident	86.5	Confident	133 Å²	133	79.2 Å²	79.2	58%	0.578	37%	0.37	S	S	*	.	H	α-helix	trans	-67.3	-44.7	173.7	-170.6	-175.7	175.1	-162.2	0	111.5	Q278 T279 I280 I284 K285 E286	Q278-K282 PolarHBondContact O-N 2.93Å; T279-K282 WeakPolarHBondContact O-CB 3.4Å; T279-K282 PolarHBondContact O-N 2.87Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 3.35Å; K282-I284 VanDerWaalsContact C-N 3.32Å; K282-I284 PolarHBondContact O-N 3.24Å; K282-K285 WeakPolarHBondContact O-CB 3.03Å; K282-K285 PolarHBondContact O-N 3.46Å; K282-K285 VanDerWaalsContact O-N 3.12Å; K282-E286 VanDerWaalsContact CE-OE1 3.23Å; K282-E286 WeakPolarHBondContact CE-OE1 3.49Å; K282-E286 IonicContact NZ-OE1 3.33Å; K282-E286 WeakPolarHBondContact O-CG 3.48Å; K282-E286 PolarHBondContact O-N 3.46Å
283	E	89.8	Confident	86.3	Confident	90 Å²	90	78.3 Å²	78.3	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-37.8	176.6	-71.6	175.2	-170.6	0	0	112.2	T279 I280 K285 E286 K287 L873	T279-E283 WeakPolarHBondContact O-CG 3.19Å; T279-E283 PolarHBondContact O-N 2.98Å; I280-E283 PolarHBondContact O-N 2.88Å; E283-K285 VanDerWaalsContact C-N 3.34Å; E283-K285 PolarHBondContact O-N 2.74Å; E283-E286 PolarHBondContact O-N 3.47Å; E283-K287 WeakPolarHBondContact O-CB 3.42Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å; E283-K287 PolarHBondContact O-N 3.36Å; E283-L873 HydrophobicContact CB-CD1 4.16Å; E283-L873 HydrophobicContact CB-CD2 4.45Å; E283-L873 WeakPolarHBondContact OE2-CD2 3.47Å
284	I	89.1	Confident	86.2	Confident	27 Å²	27	80.6 Å²	80.6	14%	0.138	38%	0.381	C	S	.	.	H	α-helix	trans	-58.8	-46.1	172.2	-70.2	167.9	0	0	0	110.5	I280 K282 K287 D288 L873 K874 H877	I280-I284 HydrophobicContact CG2-CD1 4.15Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.48Å; I280-I284 PolarHBondContact O-N 3.48Å; K282-I284 VanDerWaalsContact C-N 3.32Å; K282-I284 PolarHBondContact O-N 3.24Å; I284-K287 PolarHBondContact O-N 3.2Å; I284-D288 VanDerWaalsContact O-CB 3.31Å; I284-D288 WeakPolarHBondContact O-CB 3.12Å; I284-D288 PolarHBondContact O-N 2.84Å; I284-L873 HydrophobicContact CD1-CB 4.4Å; I284-L873 HydrophobicContact CG1-CB 3.72Å; I284-K874 HydrophobicContact CD1-CG 4.17Å; I284-H877 HydrophobicContact CD1-CB 3.89Å
285	K	83.7	Confident	86.2	Confident	139 Å²	139	82 Å²	82	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-64.7	-40.1	178.6	-74.3	176.5	-177.4	167.8	0	112.4	E281 K282 E283 D288 S289	E281-K285 PolarHBondContact O-N 3.33Å; E281-K285 IonicContact OE1-NZ 3.1Å; K282-K285 WeakPolarHBondContact O-CB 3.03Å; K282-K285 PolarHBondContact O-N 3.46Å; K282-K285 VanDerWaalsContact O-N 3.12Å; E283-K285 VanDerWaalsContact C-N 3.34Å; E283-K285 PolarHBondContact O-N 2.74Å; K285-D288 PolarHBondContact O-N 2.99Å; K285-S289 WeakPolarHBondContact O-CB 3.39Å; K285-S289 PolarHBondContact O-N 2.97Å
286	E	87.8	Confident	86.1	Confident	108 Å²	108	76.8 Å²	76.8	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-46	177	-72	176	-174.2	0	0	111.2	K282 E283 S289 E290	K282-E286 VanDerWaalsContact CE-OE1 3.23Å; K282-E286 WeakPolarHBondContact CE-OE1 3.49Å; K282-E286 IonicContact NZ-OE1 3.33Å; K282-E286 WeakPolarHBondContact O-CG 3.48Å; K282-E286 PolarHBondContact O-N 3.46Å; E283-E286 PolarHBondContact O-N 3.47Å; E286-S289 PolarHBondContact O-N 3.25Å; E286-E290 PolarHBondContact O-N 3.01Å
287	K	87.9	Confident	86.1	Confident	53 Å²	53	77.8 Å²	77.8	23%	0.23	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-34.6	176.8	-73.2	-74.1	167	-170.7	0	113.4	E283 I284 E290 L291 T866 L870 L873	E283-K287 WeakPolarHBondContact O-CB 3.42Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å; E283-K287 PolarHBondContact O-N 3.36Å; I284-K287 PolarHBondContact O-N 3.2Å; K287-E290 WeakPolarHBondContact CD-OE2 3.29Å; K287-E290 IonicContact NZ-OE2 3.8Å; K287-E290 PolarHBondContact NZ-OE2 3.17Å; K287-E290 PolarHBondContact O-N 3.1Å; K287-L291 WeakPolarHBondContact O-CB 3.23Å; K287-L291 PolarHBondContact O-N 3.11Å; K287-T866 HydrophobicContact CD-CG2 4.24Å; K287-L870 HydrophobicContact CB-CD1 3.95Å; K287-L873 HydrophobicContact CG-CD1 4.04Å
288	D	82.6	Confident	86.1	Confident	67 Å²	67	77.6 Å²	77.6	36%	0.358	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-39.5	174.8	-158.4	66	0	0	0	111.5	I284 K285 L291 N292 L870	I284-D288 VanDerWaalsContact O-CB 3.31Å; I284-D288 WeakPolarHBondContact O-CB 3.12Å; I284-D288 PolarHBondContact O-N 2.84Å; K285-D288 PolarHBondContact O-N 2.99Å; D288-L291 PolarHBondContact O-N 3.4Å; D288-N292 WeakPolarHBondContact O-CB 3.48Å; D288-N292 PolarHBondContact O-N 3.49Å; D288-N292 PolarHBondContact O-ND2 3.18Å; D288-L870 HydrophobicContact CB-CD1 3.85Å
289	S	84.8	Confident	86	Confident	59 Å²	59	76 Å²	76	41%	0.413	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-43	171.6	179.8	0	0	0	0	112	K285 E286 L291 N292 Q293	K285-S289 WeakPolarHBondContact O-CB 3.39Å; K285-S289 PolarHBondContact O-N 2.97Å; E286-S289 PolarHBondContact O-N 3.25Å; S289-L291 VanDerWaalsContact C-N 3.33Å; S289-L291 PolarHBondContact O-N 2.81Å; S289-N292 PolarHBondContact O-N 3.26Å; S289-Q293 WeakPolarHBondContact O-CG 3.2Å; S289-Q293 PolarHBondContact O-N 3.29Å
290	E	87.4	Confident	85.8	Confident	68 Å²	68	79 Å²	79	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-58.9	-45.1	175.1	-173	174.8	-165.5	0	0	111	E286 K287 N292 Q293 K294	E286-E290 PolarHBondContact O-N 3.01Å; K287-E290 WeakPolarHBondContact CD-OE2 3.29Å; K287-E290 IonicContact NZ-OE2 3.8Å; K287-E290 PolarHBondContact NZ-OE2 3.17Å; K287-E290 PolarHBondContact O-N 3.1Å; E290-N292 PolarHBondContact O-N 3.28Å; E290-Q293 PolarHBondContact O-N 2.98Å; E290-K294 VanDerWaalsContact O-CG 3.31Å; E290-K294 WeakPolarHBondContact O-CG 3.21Å; E290-K294 PolarHBondContact O-N 3.13Å; E290-K294 VanDerWaalsContact O-N 3.09Å
291	L	86.6	Confident	85.6	Confident	7 Å²	7	78.9 Å²	78.9	4%	0.037	38%	0.377	C	S	.	.	H	α-helix	trans	-60.6	-44	176.5	-169.9	71.7	0	0	0	112.2	K287 D288 S289 Q293 K294 R295 I863 T866 M867	K287-L291 WeakPolarHBondContact O-CB 3.23Å; K287-L291 PolarHBondContact O-N 3.11Å; D288-L291 PolarHBondContact O-N 3.4Å; S289-L291 VanDerWaalsContact C-N 3.33Å; S289-L291 PolarHBondContact O-N 2.81Å; L291-Q293 VanDerWaalsContact C-N 3.28Å; L291-Q293 PolarHBondContact O-N 3.18Å; L291-K294 PolarHBondContact O-N 3.16Å; L291-R295 WeakPolarHBondContact O-CG 3.35Å; L291-R295 PolarHBondContact O-N 3.27Å; L291-I863 HydrophobicContact CD1-CG2 4.05Å; L291-T866 HydrophobicContact CB-CG2 4.39Å; L291-T866 HydrophobicContact CD1-CG2 4.31Å; L291-M867 HydrophobicContact CD1-CG 3.66Å; L291-M867 HydrophobicContact CD1-SD 4.48Å; L291-M867 HydrophobicContact CD2-CG 3.97Å; L291-M867 HydrophobicContact CG-CG 4.5Å
292	N	80.2	Confident	85.6	Confident	86 Å²	86	79.9 Å²	79.9	46%	0.46	38%	0.38	S	S	.	.	H	α-helix	trans	-66.2	-27.8	178.4	-75.6	-33.8	0	0	0	113.1	D288 S289 E290 P296	D288-N292 WeakPolarHBondContact O-CB 3.48Å; D288-N292 PolarHBondContact O-N 3.49Å; D288-N292 PolarHBondContact O-ND2 3.18Å; S289-N292 PolarHBondContact O-N 3.26Å; E290-N292 PolarHBondContact O-N 3.28Å; N292-P296 WeakPolarHBondContact O-CD 3.49Å
293	Q	84.9	Confident	85.5	Confident	127 Å²	127	79.7 Å²	79.7	59%	0.593	38%	0.382	S	S	*	.	H	α-helix	trans	-77.5	-33.6	172.8	-71.2	-177.9	8.9	0	0	113.3	S289 E290 L291	S289-Q293 WeakPolarHBondContact O-CG 3.2Å; S289-Q293 PolarHBondContact O-N 3.29Å; E290-Q293 PolarHBondContact O-N 2.98Å; L291-Q293 VanDerWaalsContact C-N 3.28Å; L291-Q293 PolarHBondContact O-N 3.18Å
294	K	84.6	Confident	85.2	Confident	60 Å²	60	79.2 Å²	79.2	26%	0.261	38%	0.382	S	S	.	.	H	α-helix	trans	-81.8	-30.6	-177.1	-62.8	-67.1	178.8	178.9	0	113.4	E290 L291 Q297 Y298 I863	E290-K294 VanDerWaalsContact O-CG 3.31Å; E290-K294 WeakPolarHBondContact O-CG 3.21Å; E290-K294 PolarHBondContact O-N 3.13Å; E290-K294 VanDerWaalsContact O-N 3.09Å; L291-K294 PolarHBondContact O-N 3.16Å; K294-Q297 WeakPolarHBondContact O-CB 3.39Å; K294-Q297 PolarHBondContact O-N 2.99Å; K294-Q297 VanDerWaalsContact O-N 3.11Å; K294-Y298 PolarHBondContact O-N 2.62Å; K294-Y298 VanDerWaalsContact O-N 3.17Å; K294-I863 HydrophobicContact CB-CG1 4.26Å
295	R	83.1	Confident	85.1	Confident	115 Å²	115	78.1 Å²	78.1	43%	0.434	38%	0.376	S	S	.	.	H	α-helix	trans	-56.1	-47.1	178.2	-81.1	176.5	175.9	-163.7	-1.3	114	L291 Q297 Y298 I299 I863	L291-R295 WeakPolarHBondContact O-CG 3.35Å; L291-R295 PolarHBondContact O-N 3.27Å; R295-Q297 VanDerWaalsContact C-N 3.27Å; R295-Q297 PolarHBondContact O-N 3.02Å; R295-Y298 PolarHBondContact O-N 3.21Å; R295-I299 WeakPolarHBondContact O-CG1 3.29Å; R295-I299 PolarHBondContact O-N 3.39Å; R295-I863 HydrophobicContact CG-CD1 4.37Å
296	P	85.5	Confident	85.2	Confident	75 Å²	75	73.8 Å²	73.8	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-32.7	175.1	-25.3	34.3	0	0	0	113.7	N292 I299 K300	N292-P296 WeakPolarHBondContact O-CD 3.49Å; P296-I299 PolarHBondContact O-N 3.06Å; P296-K300 WeakPolarHBondContact O-CB 3.17Å; P296-K300 PolarHBondContact O-N 2.98Å
297	Q	85.3	Confident	85	Confident	83 Å²	83	74.7 Å²	74.7	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-68.4	-41.1	178.3	-60.4	179.6	2.3	0	0	111.3	K294 R295 K300 A301	K294-Q297 WeakPolarHBondContact O-CB 3.39Å; K294-Q297 PolarHBondContact O-N 2.99Å; K294-Q297 VanDerWaalsContact O-N 3.11Å; R295-Q297 VanDerWaalsContact C-N 3.27Å; R295-Q297 PolarHBondContact O-N 3.02Å; Q297-K300 PolarHBondContact O-N 3.25Å; Q297-A301 WeakPolarHBondContact O-CB 3.43Å; Q297-A301 PolarHBondContact O-N 2.98Å
298	Y	88.9	Confident	84.9	Confident	30 Å²	30	74 Å²	74	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-45.8	172.1	170.2	-102.5	0	0	0	111.9	K294 R295 K300 A301 K302 E856 H859 M860 I863	K294-Y298 PolarHBondContact O-N 2.62Å; K294-Y298 VanDerWaalsContact O-N 3.17Å; R295-Y298 PolarHBondContact O-N 3.21Å; Y298-K300 VanDerWaalsContact C-N 3.33Å; Y298-K300 PolarHBondContact O-N 3.01Å; Y298-A301 PolarHBondContact O-N 3.42Å; Y298-K302 HydrophobicContact CE1-CD 4.09Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.4Å; Y298-K302 WeakPolarHBondContact OH-CD 3.29Å; Y298-K302 PolarHBondContact OH-NZ 3.01Å; Y298-E856 HydrophobicContact CD2-CG 4.16Å; Y298-E856 HydrophobicContact CE2-CG 3.55Å; Y298-E856 PolarHBondContact OH-OE1 3.34Å; Y298-H859 HydrophobicContact CD2-CB 4.31Å; Y298-M860 HydrophobicContact CD2-CB 4.34Å; Y298-M860 HydrophobicContact CD2-CE 4.44Å; Y298-M860 HydrophobicContact CD2-SD 4.5Å; Y298-M860 HydrophobicContact CE1-CE 4Å; Y298-M860 HydrophobicContact CE2-CB 4.16Å; Y298-M860 HydrophobicContact CE2-CE 3.48Å; Y298-M860 VanDerWaalsContact CE2-CE 3.48Å; Y298-M860 HydrophobicContact CE2-SD 4.07Å; Y298-M860 WeakPolarHBondContact OH-CE 3.4Å; Y298-I863 HydrophobicContact CD1-CD1 4.47Å; Y298-I863 HydrophobicContact CG-CD1 4.01Å
299	I	82.5	Confident	85.1	Confident	91 Å²	91	73.6 Å²	73.6	47%	0.467	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-46.1	178	-66.2	167.3	0	0	0	110.4	R295 P296 A301 K302 E303	R295-I299 WeakPolarHBondContact O-CG1 3.29Å; R295-I299 PolarHBondContact O-N 3.39Å; P296-I299 PolarHBondContact O-N 3.06Å; I299-A301 PolarHBondContact O-N 2.97Å; I299-K302 PolarHBondContact O-N 3.47Å; I299-E303 WeakPolarHBondContact O-CG 3.41Å; I299-E303 PolarHBondContact O-N 3.34Å
300	K	84.6	Confident	85.2	Confident	141 Å²	141	78.2 Å²	78.2	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-61.9	-42	177.1	-171	176.9	-177.4	178.5	0	112.5	P296 Q297 Y298 N304	P296-K300 WeakPolarHBondContact O-CB 3.17Å; P296-K300 PolarHBondContact O-N 2.98Å; Q297-K300 PolarHBondContact O-N 3.25Å; Y298-K300 VanDerWaalsContact C-N 3.33Å; Y298-K300 PolarHBondContact O-N 3.01Å; K300-N304 WeakPolarHBondContact O-CB 3.39Å; K300-N304 PolarHBondContact O-N 2.99Å; K300-N304 VanDerWaalsContact O-N 3.1Å; K300-N304 PolarHBondContact O-ND2 3.23Å
301	A	85.6	Confident	85.1	Confident	12 Å²	12	80.2 Å²	80.2	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-44.7	175.8	0	0	0	0	0	111.4	Q297 Y298 I299 N304 T305	Q297-A301 WeakPolarHBondContact O-CB 3.43Å; Q297-A301 PolarHBondContact O-N 2.98Å; Y298-A301 PolarHBondContact O-N 3.42Å; I299-A301 PolarHBondContact O-N 2.97Å; A301-N304 PolarHBondContact O-N 3.32Å; A301-T305 PolarHBondContact O-N 2.95Å; A301-T305 PolarHBondContact O-OG1 2.99Å
302	K	85.7	Confident	85.2	Confident	106 Å²	106	80.7 Å²	80.7	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-44	178.3	-171.8	-178.7	-166.6	165.8	0	112.8	Y298 I299 T305 A306	Y298-K302 HydrophobicContact CE1-CD 4.09Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.4Å; Y298-K302 WeakPolarHBondContact OH-CD 3.29Å; Y298-K302 PolarHBondContact OH-NZ 3.01Å; I299-K302 PolarHBondContact O-N 3.47Å; K302-T305 PolarHBondContact O-N 3.19Å; K302-A306 WeakPolarHBondContact O-CB 3.44Å; K302-A306 PolarHBondContact O-N 3.47Å
303	E	84.9	Confident	85.5	Confident	130 Å²	130	82.7 Å²	82.7	61%	0.607	39%	0.394	S	S	*	.	H	α-helix	trans	-63.1	-42.6	176	-77.6	-174.5	159.9	0	0	111.8	I299 A306 H307	I299-E303 WeakPolarHBondContact O-CG 3.41Å; I299-E303 PolarHBondContact O-N 3.34Å; E303-A306 PolarHBondContact O-N 3.15Å; E303-H307 WeakPolarHBondContact O-CB 3.34Å; E303-H307 PolarHBondContact O-N 3.34Å
304	N	83.3	Confident	85.6	Confident	79 Å²	79	79.2 Å²	79.2	42%	0.422	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-43.4	175.8	-73.5	-23	0	0	0	111.9	K300 A301 H307 K308	K300-N304 WeakPolarHBondContact O-CB 3.39Å; K300-N304 PolarHBondContact O-N 2.99Å; K300-N304 VanDerWaalsContact O-N 3.1Å; K300-N304 PolarHBondContact O-ND2 3.23Å; A301-N304 PolarHBondContact O-N 3.32Å; N304-H307 PolarHBondContact O-N 2.81Å; N304-K308 WeakPolarHBondContact O-CB 3.44Å; N304-K308 PolarHBondContact O-N 2.84Å
305	T	87.1	Confident	85.7	Confident	4 Å²	4	76.7 Å²	76.7	3%	0.025	38%	0.377	C	S	.	.	H	α-helix	trans	-59.7	-48.3	173.8	-56.9	0	0	0	0	110.8	A301 K302 H307 K308 I309 K853	A301-T305 PolarHBondContact O-N 2.95Å; A301-T305 PolarHBondContact O-OG1 2.99Å; K302-T305 PolarHBondContact O-N 3.19Å; T305-H307 PolarHBondContact O-N 3.39Å; T305-K308 PolarHBondContact O-N 3.15Å; T305-I309 HydrophobicContact CG2-CD1 3.86Å; T305-I309 HydrophobicContact CG2-CG1 4.47Å; T305-I309 VanDerWaalsContact O-CG1 3.28Å; T305-I309 WeakPolarHBondContact O-CG1 3.35Å; T305-I309 PolarHBondContact O-N 3.34Å; T305-K853 HydrophobicContact CG2-CG 3.89Å
306	A	85.2	Confident	86	Confident	48 Å²	48	75.3 Å²	75.3	40%	0.397	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-42.4	-179.8	0	0	0	0	0	112.7	K302 E303 I309 K310	K302-A306 WeakPolarHBondContact O-CB 3.44Å; K302-A306 PolarHBondContact O-N 3.47Å; E303-A306 PolarHBondContact O-N 3.15Å; A306-I309 PolarHBondContact O-N 2.95Å; A306-K310 PolarHBondContact O-N 3.15Å; A306-K310 VanDerWaalsContact O-N 3.1Å
307	H	84.1	Confident	86.1	Confident	128 Å²	128	78.6 Å²	78.6	59%	0.593	38%	0.381	S	S	*	.	H	α-helix	trans	-62.8	-43.5	176.3	179.1	-92.2	0	0	0	111.6	E303 N304 T305 K310 K311	E303-H307 WeakPolarHBondContact O-CB 3.34Å; E303-H307 PolarHBondContact O-N 3.34Å; N304-H307 PolarHBondContact O-N 2.81Å; T305-H307 PolarHBondContact O-N 3.39Å; H307-K310 PolarHBondContact O-N 3Å; H307-K311 PolarHBondContact O-N 3.16Å; H307-K311 VanDerWaalsContact O-N 3.09Å
308	K	85.5	Confident	86.1	Confident	38 Å²	38	76.8 Å²	76.8	17%	0.165	38%	0.378	C	S	.	.	H	α-helix	trans	-67.3	-37.6	176.8	-78.7	-73.6	-168	155.1	0	112.8	N304 T305 K310 K311 L312 E848 I849 L852	N304-K308 WeakPolarHBondContact O-CB 3.44Å; N304-K308 PolarHBondContact O-N 2.84Å; T305-K308 PolarHBondContact O-N 3.15Å; K308-K310 PolarHBondContact O-N 3.05Å; K308-K311 WeakPolarHBondContact O-CB 3.22Å; K308-K311 PolarHBondContact O-N 3.02Å; K308-L312 PolarHBondContact O-N 3.38Å; K308-E848 WeakPolarHBondContact CE-OE1 3.44Å; K308-E848 IonicContact NZ-OE1 3.64Å; K308-E848 PolarHBondContact NZ-OE1 3.08Å; K308-E848 IonicContact NZ-OE2 3.3Å; K308-E848 PolarHBondContact NZ-OE2 2.98Å; K308-I849 HydrophobicContact CB-CD1 4.39Å; K308-I849 HydrophobicContact CB-CG1 3.83Å; K308-L852 HydrophobicContact CB-CD1 4.15Å; K308-L852 HydrophobicContact CG-CD1 3.78Å
309	I	86.6	Confident	86.2	Confident	59 Å²	59	76.9 Å²	76.9	30%	0.303	38%	0.379	S	S	.	.	H	α-helix	trans	-59	-47.1	173.5	-72.1	168.2	0	0	0	110.9	T305 A306 K311 L312 E313 I849	T305-I309 HydrophobicContact CG2-CD1 3.86Å; T305-I309 HydrophobicContact CG2-CG1 4.47Å; T305-I309 VanDerWaalsContact O-CG1 3.28Å; T305-I309 WeakPolarHBondContact O-CG1 3.35Å; T305-I309 PolarHBondContact O-N 3.34Å; A306-I309 PolarHBondContact O-N 2.95Å; I309-K311 VanDerWaalsContact C-N 3.29Å; I309-K311 PolarHBondContact O-N 2.97Å; I309-L312 WeakPolarHBondContact O-CB 3.5Å; I309-L312 PolarHBondContact O-N 3.45Å; I309-L312 VanDerWaalsContact O-N 3.17Å; I309-E313 PolarHBondContact O-N 3.39Å; I309-I849 HydrophobicContact CG1-CD1 4.03Å; I309-I849 HydrophobicContact CG1-CG1 4.32Å; I309-I849 HydrophobicContact CG1-CG2 4.11Å
310	K	86.9	Confident	86.5	Confident	155 Å²	155	77.9 Å²	77.9	67%	0.674	38%	0.382	S	S	*	.	H	α-helix	trans	-59.7	-40.1	175.7	-73.5	-177.7	178.9	-179.5	0	112.3	A306 H307 K308 E313 A314	A306-K310 PolarHBondContact O-N 3.15Å; A306-K310 VanDerWaalsContact O-N 3.1Å; H307-K310 PolarHBondContact O-N 3Å; K308-K310 PolarHBondContact O-N 3.05Å; K310-E313 PolarHBondContact O-N 3.17Å; K310-A314 PolarHBondContact O-N 3.48Å; K310-A314 VanDerWaalsContact O-N 3.14Å
311	K	85.5	Confident	86.5	Confident	111 Å²	111	75.2 Å²	75.2	48%	0.483	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-41.7	176	-167.7	-178.7	-179.9	-173.6	0	111.8	H307 K308 I309 A314 A315	H307-K311 PolarHBondContact O-N 3.16Å; H307-K311 VanDerWaalsContact O-N 3.09Å; K308-K311 WeakPolarHBondContact O-CB 3.22Å; K308-K311 PolarHBondContact O-N 3.02Å; I309-K311 VanDerWaalsContact C-N 3.29Å; I309-K311 PolarHBondContact O-N 2.97Å; K311-A314 PolarHBondContact O-N 3.36Å; K311-A315 PolarHBondContact O-N 2.82Å
312	L	90.1	Very high	86.6	Confident	17 Å²	17	75.4 Å²	75.4	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-42.4	175.6	176.7	66.2	0	0	0	111.7	K308 I309 A314 A315 K316 V842 D845 E846 I849	K308-L312 PolarHBondContact O-N 3.38Å; I309-L312 WeakPolarHBondContact O-CB 3.5Å; I309-L312 PolarHBondContact O-N 3.45Å; I309-L312 VanDerWaalsContact O-N 3.17Å; L312-A314 VanDerWaalsContact C-N 3.34Å; L312-A314 PolarHBondContact O-N 2.7Å; L312-A315 PolarHBondContact O-N 2.76Å; L312-K316 HydrophobicContact CD1-CD 4.5Å; L312-K316 HydrophobicContact CD1-CG 4.26Å; L312-K316 HydrophobicContact CG-CD 4.28Å; L312-K316 HydrophobicContact CG-CG 4.39Å; L312-K316 WeakPolarHBondContact O-CB 3.28Å; L312-K316 WeakPolarHBondContact O-CG 3.36Å; L312-K316 PolarHBondContact O-N 2.74Å; L312-V842 HydrophobicContact CD1-CB 4.36Å; L312-V842 HydrophobicContact CD1-CG1 3.99Å; L312-V842 HydrophobicContact CD1-CG2 4.47Å; L312-D845 HydrophobicContact CB-CB 4.43Å; L312-D845 HydrophobicContact CD1-CB 3.91Å; L312-E846 HydrophobicContact CD1-CG 3.81Å; L312-E846 HydrophobicContact CD2-CG 3.62Å; L312-E846 HydrophobicContact CG-CG 4.38Å; L312-I849 HydrophobicContact CB-CD1 3.64Å; L312-I849 HydrophobicContact CD2-CD1 3.51Å; L312-I849 HydrophobicContact CG-CD1 4.15Å
313	E	86.2	Confident	86.7	Confident	127 Å²	127	74 Å²	74	59%	0.593	37%	0.371	S	S	*	.	H	α-helix	trans	-61.1	-42.4	176.5	-74.7	-177.8	168.1	0	0	112	I309 K310 K316 K317	I309-E313 PolarHBondContact O-N 3.39Å; K310-E313 PolarHBondContact O-N 3.17Å; E313-K316 PolarHBondContact O-N 3.23Å; E313-K317 WeakPolarHBondContact O-CB 3.49Å; E313-K317 PolarHBondContact O-N 3.16Å
314	A	86.4	Confident	86.8	Confident	55 Å²	55	74.5 Å²	74.5	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-41.4	174.4	0	0	0	0	0	112.2	K310 K311 L312 K317 S318	K310-A314 PolarHBondContact O-N 3.48Å; K310-A314 VanDerWaalsContact O-N 3.14Å; K311-A314 PolarHBondContact O-N 3.36Å; L312-A314 VanDerWaalsContact C-N 3.34Å; L312-A314 PolarHBondContact O-N 2.7Å; A314-K317 PolarHBondContact O-N 2.96Å; A314-S318 WeakPolarHBondContact O-CB 3.31Å; A314-S318 PolarHBondContact O-N 3.17Å; A314-S318 PolarHBondContact O-OG 3.29Å
315	A	87.2	Confident	86.9	Confident	6 Å²	6	75.4 Å²	75.4	5%	0.05	37%	0.374	C	S	.	.	H	α-helix	trans	-65.6	-41.5	175.4	0	0	0	0	0	112.1	K311 L312 S318 H319 W838 V842	K311-A315 PolarHBondContact O-N 2.82Å; L312-A315 PolarHBondContact O-N 2.76Å; A315-S318 PolarHBondContact O-N 3.26Å; A315-H319 WeakPolarHBondContact O-CB 3.48Å; A315-H319 PolarHBondContact O-N 3.09Å; A315-W838 HydrophobicContact CB-CE3 4.44Å; A315-W838 HydrophobicContact CB-CZ3 4.49Å; A315-V842 HydrophobicContact CB-CG2 4Å
316	K	88.2	Confident	87	Confident	87 Å²	87	77.6 Å²	77.6	38%	0.378	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175	-78.4	-174.9	176.8	-174.8	0	112.2	L312 E313 S318 H319 Q320 V842 E846	L312-K316 HydrophobicContact CD1-CD 4.5Å; L312-K316 HydrophobicContact CD1-CG 4.26Å; L312-K316 HydrophobicContact CG-CD 4.28Å; L312-K316 HydrophobicContact CG-CG 4.39Å; L312-K316 WeakPolarHBondContact O-CB 3.28Å; L312-K316 WeakPolarHBondContact O-CG 3.36Å; L312-K316 PolarHBondContact O-N 2.74Å; E313-K316 PolarHBondContact O-N 3.23Å; K316-S318 VanDerWaalsContact C-N 3.33Å; K316-H319 PolarHBondContact O-N 3.35Å; K316-Q320 PolarHBondContact O-N 2.87Å; K316-V842 HydrophobicContact CG-CG1 3.99Å; K316-V842 HydrophobicContact CG-CG2 4.02Å; K316-E846 WeakPolarHBondContact CE-OE1 3.23Å; K316-E846 IonicContact NZ-OE1 3.79Å; K316-E846 PolarHBondContact NZ-OE1 3.35Å
317	K	87.4	Confident	87.1	Confident	143 Å²	143	81.7 Å²	81.7	62%	0.622	39%	0.391	S	S	*	.	H	α-helix	trans	-63.9	-40.4	175.4	-168.3	175.4	-176.3	177.7	0	111.5	E313 A314 Q320 N321	E313-K317 WeakPolarHBondContact O-CB 3.49Å; E313-K317 PolarHBondContact O-N 3.16Å; A314-K317 PolarHBondContact O-N 2.96Å; K317-Q320 PolarHBondContact O-N 3.31Å; K317-N321 PolarHBondContact O-N 2.84Å
318	S	86.6	Confident	87.2	Confident	46 Å²	46	81.9 Å²	81.9	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-66.7	-42	176.2	-56.7	0	0	0	0	111.8	A314 A315 K316 N321 A322	A314-S318 WeakPolarHBondContact O-CB 3.31Å; A314-S318 PolarHBondContact O-N 3.17Å; A314-S318 PolarHBondContact O-OG 3.29Å; A315-S318 PolarHBondContact O-N 3.26Å; K316-S318 VanDerWaalsContact C-N 3.33Å; S318-N321 PolarHBondContact O-N 3.41Å; S318-A322 WeakPolarHBondContact O-CB 3.44Å; S318-A322 PolarHBondContact O-N 2.96Å
319	H	90.7	Very high	87.2	Confident	32 Å²	32	82.3 Å²	82.3	15%	0.148	39%	0.391	C	S	.	.	H	α-helix	trans	-60.8	-46.4	173.1	-179.4	69.7	0	0	0	111.9	A315 K316 N321 A322 Q323 V835 W838 V842	A315-H319 WeakPolarHBondContact O-CB 3.48Å; A315-H319 PolarHBondContact O-N 3.09Å; K316-H319 PolarHBondContact O-N 3.35Å; H319-N321 VanDerWaalsContact C-N 3.33Å; H319-N321 PolarHBondContact O-N 2.93Å; H319-A322 PolarHBondContact O-N 3.49Å; H319-Q323 VanDerWaalsContact O-CB 3.31Å; H319-Q323 WeakPolarHBondContact O-CB 3.36Å; H319-Q323 PolarHBondContact O-N 3.35Å; H319-V835 PolarHBondContact ND1-O 3.35Å; H319-W838 HydrophobicContact CB-CB 3.91Å; H319-V842 HydrophobicContact CB-CG2 4.38Å
320	Q	88.1	Confident	87.2	Confident	112 Å²	112	83.9 Å²	83.9	52%	0.523	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-41.7	175.9	-85.8	-173.4	-11.5	0	0	112.5	K316 K317 Q323 K324	K316-Q320 PolarHBondContact O-N 2.87Å; K317-Q320 PolarHBondContact O-N 3.31Å; Q320-Q323 PolarHBondContact O-N 3.3Å; Q320-K324 WeakPolarHBondContact O-CG 3.29Å; Q320-K324 PolarHBondContact O-N 3.23Å
321	N	86.1	Confident	87.1	Confident	84 Å²	84	79 Å²	79	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-65.4	-45.6	177.2	-73.9	-12.3	0	0	0	111.4	K317 S318 H319 Q323 K324 M325	K317-N321 PolarHBondContact O-N 2.84Å; S318-N321 PolarHBondContact O-N 3.41Å; H319-N321 VanDerWaalsContact C-N 3.33Å; H319-N321 PolarHBondContact O-N 2.93Å; N321-Q323 VanDerWaalsContact C-N 3.3Å; N321-Q323 PolarHBondContact O-N 3.39Å; N321-K324 PolarHBondContact O-N 3.06Å; N321-M325 WeakPolarHBondContact O-CG 3.45Å; N321-M325 PolarHBondContact O-N 2.91Å
322	A	86.6	Confident	86.9	Confident	17 Å²	17	76.7 Å²	76.7	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-41.5	174.9	0	0	0	0	0	111.5	S318 H319 M325 Y326 V835	S318-A322 WeakPolarHBondContact O-CB 3.44Å; S318-A322 PolarHBondContact O-N 2.96Å; H319-A322 PolarHBondContact O-N 3.49Å; A322-M325 PolarHBondContact O-N 3.43Å; A322-Y326 WeakPolarHBondContact O-CB 3.41Å; A322-Y326 PolarHBondContact O-N 2.92Å; A322-V835 HydrophobicContact CB-CG2 3.79Å
323	Q	88.4	Confident	86.8	Confident	76 Å²	76	77.4 Å²	77.4	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-67.9	-37.1	179	-162.5	-176.8	30.9	0	0	112.5	H319 Q320 N321 K327	H319-Q323 VanDerWaalsContact O-CB 3.31Å; H319-Q323 WeakPolarHBondContact O-CB 3.36Å; H319-Q323 PolarHBondContact O-N 3.35Å; Q320-Q323 PolarHBondContact O-N 3.3Å; N321-Q323 VanDerWaalsContact C-N 3.3Å; N321-Q323 PolarHBondContact O-N 3.39Å; Q323-K327 WeakPolarHBondContact O-CB 3.48Å; Q323-K327 WeakPolarHBondContact O-CG 3.42Å; Q323-K327 PolarHBondContact O-N 2.85Å
324	K	87.2	Confident	86.7	Confident	141 Å²	141	74.7 Å²	74.7	61%	0.613	37%	0.37	S	S	*	.	H	α-helix	trans	-63.9	-44.9	173.1	-77.8	177.6	-179.2	179.7	0	111.5	Q320 N321 K327 K328	Q320-K324 WeakPolarHBondContact O-CG 3.29Å; Q320-K324 PolarHBondContact O-N 3.23Å; N321-K324 PolarHBondContact O-N 3.06Å; K324-K327 PolarHBondContact O-N 3.33Å; K324-K328 WeakPolarHBondContact O-CB 3.46Å; K324-K328 PolarHBondContact O-N 2.92Å
325	M	84.9	Confident	86.6	Confident	97 Å²	97	77.6 Å²	77.6	48%	0.478	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-46	177.5	-69	-60.7	-68.1	0	0	111.5	N321 A322 K327 K328 R329	N321-M325 WeakPolarHBondContact O-CG 3.45Å; N321-M325 PolarHBondContact O-N 2.91Å; A322-M325 PolarHBondContact O-N 3.43Å; M325-K327 PolarHBondContact O-N 2.61Å; M325-K328 PolarHBondContact O-N 2.92Å; M325-R329 PolarHBondContact O-N 3.03Å
326	Y	89.4	Confident	86.5	Confident	50 Å²	50	78.9 Å²	78.9	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-46.9	174.9	174.2	-96.1	0	0	0	112.3	A322 K328 K330 L828 Q832	A322-Y326 WeakPolarHBondContact O-CB 3.41Å; A322-Y326 PolarHBondContact O-N 2.92Å; Y326-K328 VanDerWaalsContact C-N 3.34Å; Y326-K328 PolarHBondContact O-N 2.93Å; Y326-K330 HydrophobicContact CE1-CD 4.33Å; Y326-K330 VanDerWaalsContact O-CB 3.28Å; Y326-K330 WeakPolarHBondContact O-CB 3.47Å; Y326-K330 PolarHBondContact O-N 2.83Å; Y326-L828 HydrophobicContact CD2-CD1 3.52Å; Y326-L828 HydrophobicContact CD2-CG 4.09Å; Y326-L828 HydrophobicContact CE2-CD1 3.61Å; Y326-L828 HydrophobicContact CE2-CD2 4.42Å; Y326-L828 HydrophobicContact CE2-CG 3.77Å; Y326-L828 HydrophobicContact CG-CD1 4.28Å; Y326-L828 WeakPolarHBondContact O-CD1 3.4Å; Y326-Q832 HydrophobicContact CD2-CB 4.08Å; Y326-Q832 HydrophobicContact CE2-CB 3.77Å; Y326-Q832 HydrophobicContact CE2-CG 4.1Å
327	K	86.7	Confident	86.2	Confident	135 Å²	135	76.4 Å²	76.4	59%	0.587	37%	0.371	S	S	*	.	H	α-helix	trans	-62.3	-40.4	177.9	-77.2	-178.9	179.6	-176.4	0	112.5	Q323 K324 M325 A331	Q323-K327 WeakPolarHBondContact O-CB 3.48Å; Q323-K327 WeakPolarHBondContact O-CG 3.42Å; Q323-K327 PolarHBondContact O-N 2.85Å; K324-K327 PolarHBondContact O-N 3.33Å; M325-K327 PolarHBondContact O-N 2.61Å; K327-A331 PolarHBondContact O-N 3.34Å; K327-A331 VanDerWaalsContact O-N 3.12Å
328	K	86.4	Confident	86.1	Confident	132 Å²	132	76.5 Å²	76.5	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-64.3	-53.3	178.3	-174	-178.6	174.6	-173.7	0	110.9	K324 M325 Y326 K330 A331 D332	K324-K328 WeakPolarHBondContact O-CB 3.46Å; K324-K328 PolarHBondContact O-N 2.92Å; M325-K328 PolarHBondContact O-N 2.92Å; Y326-K328 VanDerWaalsContact C-N 3.34Å; Y326-K328 PolarHBondContact O-N 2.93Å; K328-K330 VanDerWaalsContact C-N 3.27Å; K328-K330 PolarHBondContact O-N 3.35Å; K328-A331 WeakPolarHBondContact O-CB 3.47Å; K328-A331 PolarHBondContact O-N 3.33Å; K328-D332 VanDerWaalsContact O-CG 3.3Å; K328-D332 PolarHBondContact O-N 2.99Å
329	R	84.7	Confident	85.9	Confident	47 Å²	47	78.7 Å²	78.7	18%	0.177	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-33.5	179	-66.4	-159.4	-146.8	-150.6	21.5	113.1	M325 A331 D332 M333 L828 D831	M325-R329 PolarHBondContact O-N 3.03Å; R329-A331 VanDerWaalsContact C-N 3.34Å; R329-D332 PolarHBondContact O-N 3.26Å; R329-M333 WeakPolarHBondContact O-CB 3.47Å; R329-M333 PolarHBondContact O-N 2.94Å; R329-L828 HydrophobicContact CB-CD1 3.91Å; R329-D831 IonicContact CZ-OD2 3.47Å; R329-D831 IonicContact NE-OD2 2.9Å; R329-D831 PolarHBondContact NE-OD2 3.07Å; R329-D831 IonicContact NH2-OD1 2.73Å; R329-D831 IonicContact NH2-OD2 2.81Å; R329-D831 PolarHBondContact NH2-OD2 3.22Å
330	K	87.3	Confident	85.5	Confident	91 Å²	91	78.9 Å²	78.9	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-42.7	173.6	-171.5	176.1	178.4	-177.9	0	111.5	Y326 K328 M333 D334 L828	Y326-K330 HydrophobicContact CE1-CD 4.33Å; Y326-K330 VanDerWaalsContact O-CB 3.28Å; Y326-K330 WeakPolarHBondContact O-CB 3.47Å; Y326-K330 PolarHBondContact O-N 2.83Å; K328-K330 VanDerWaalsContact C-N 3.27Å; K328-K330 PolarHBondContact O-N 3.35Å; K330-M333 PolarHBondContact O-N 3.47Å; K330-D334 WeakPolarHBondContact O-CB 3.16Å; K330-D334 VanDerWaalsContact O-CG 3.27Å; K330-D334 PolarHBondContact O-N 3.45Å; K330-L828 HydrophobicContact CB-CD1 3.96Å; K330-L828 HydrophobicContact CB-CD2 4.36Å; K330-L828 HydrophobicContact CG-CD2 4.41Å
331	A	84.8	Confident	85.2	Confident	52 Å²	52	80.5 Å²	80.5	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-44.1	176	0	0	0	0	0	111.7	K327 K328 R329 M333 D334 E335	K327-A331 PolarHBondContact O-N 3.34Å; K327-A331 VanDerWaalsContact O-N 3.12Å; K328-A331 WeakPolarHBondContact O-CB 3.47Å; K328-A331 PolarHBondContact O-N 3.33Å; R329-A331 VanDerWaalsContact C-N 3.34Å; A331-M333 VanDerWaalsContact C-N 3.3Å; A331-M333 PolarHBondContact O-N 3.01Å; A331-D334 PolarHBondContact O-N 2.94Å; A331-E335 PolarHBondContact O-N 3.49Å
332	D	82.5	Confident	85.1	Confident	63 Å²	63	79.4 Å²	79.4	34%	0.337	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-39.6	176.7	-58.6	-20.3	0	0	0	110.9	K328 R329 E335 L336	K328-D332 VanDerWaalsContact O-CG 3.3Å; K328-D332 PolarHBondContact O-N 2.99Å; R329-D332 PolarHBondContact O-N 3.26Å; D332-E335 PolarHBondContact O-N 3.4Å; D332-L336 WeakPolarHBondContact O-CG 3.31Å; D332-L336 PolarHBondContact O-N 3.49Å
333	M	86.6	Confident	85	Confident	32 Å²	32	79.8 Å²	79.8	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-66.9	-43.6	174.5	-172	-128.7	72.9	0	0	112.4	R329 K330 A331 E335 L336 D337 L828	R329-M333 WeakPolarHBondContact O-CB 3.47Å; R329-M333 PolarHBondContact O-N 2.94Å; K330-M333 PolarHBondContact O-N 3.47Å; A331-M333 VanDerWaalsContact C-N 3.3Å; A331-M333 PolarHBondContact O-N 3.01Å; M333-E335 PolarHBondContact O-N 3.31Å; M333-L336 PolarHBondContact O-N 3.34Å; M333-D337 WeakPolarHBondContact O-CB 3.35Å; M333-D337 PolarHBondContact O-N 3.49Å; M333-L828 HydrophobicContact SD-CD2 4.43Å
334	D	83.8	Confident	84.6	Confident	71 Å²	71	79.4 Å²	79.4	38%	0.38	38%	0.38	S	S	.	.	H	α-helix	trans	-64.4	-29.6	178.1	-73.6	-28.4	0	0	0	111.3	K330 A331 K338	K330-D334 WeakPolarHBondContact O-CB 3.16Å; K330-D334 VanDerWaalsContact O-CG 3.27Å; K330-D334 PolarHBondContact O-N 3.45Å; A331-D334 PolarHBondContact O-N 2.94Å; D334-K338 VanDerWaalsContact O-CG 3.3Å; D334-K338 WeakPolarHBondContact O-CG 3.5Å; D334-K338 PolarHBondContact O-N 3.25Å
335	E	85.3	Confident	84.4	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	38%	0.376	S	S	.	.	H	α-helix	trans	-72.6	-48.9	173.8	-171.6	166.9	-160.2	0	0	111.6	A331 D332 M333 D337 K338 E339	A331-E335 PolarHBondContact O-N 3.49Å; D332-E335 PolarHBondContact O-N 3.4Å; M333-E335 PolarHBondContact O-N 3.31Å; E335-D337 VanDerWaalsContact C-N 3.29Å; E335-D337 PolarHBondContact O-N 3.47Å; E335-K338 WeakPolarHBondContact O-CB 3.24Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-K338 VanDerWaalsContact O-N 3.11Å; E335-E339 PolarHBondContact O-N 2.91Å
336	L	84.6	Confident	84.3	Confident	32 Å²	32	74.5 Å²	74.5	17%	0.168	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-37.2	175.5	-72.3	168.8	0	0	0	112.7	D332 M333 E339 M340 L817 V821 E824	D332-L336 WeakPolarHBondContact O-CG 3.31Å; D332-L336 PolarHBondContact O-N 3.49Å; M333-L336 PolarHBondContact O-N 3.34Å; L336-E339 PolarHBondContact O-N 3.3Å; L336-M340 WeakPolarHBondContact O-CB 3.33Å; L336-M340 PolarHBondContact O-N 3.18Å; L336-L817 HydrophobicContact CD2-CD2 4Å; L336-V821 HydrophobicContact CB-CG2 3.78Å; L336-E824 HydrophobicContact CD1-CG 4.25Å
337	D	81.8	Confident	83.9	Confident	35 Å²	35	73.7 Å²	73.7	19%	0.187	37%	0.365	C	S	.	.	H	α-helix	trans	-70.3	-31.8	177.3	-165.9	66.9	0	0	0	112.2	M333 E335 M340 R341	M333-D337 WeakPolarHBondContact O-CB 3.35Å; M333-D337 PolarHBondContact O-N 3.49Å; E335-D337 VanDerWaalsContact C-N 3.29Å; E335-D337 PolarHBondContact O-N 3.47Å; D337-M340 WeakPolarHBondContact OD1-CE 3.45Å; D337-R341 WeakPolarHBondContact O-CB 3.5Å; D337-R341 WeakPolarHBondContact O-CG 3.34Å; D337-R341 PolarHBondContact O-N 3.46Å; D337-R341 VanDerWaalsContact O-N 3.07Å; D337-R341 IonicContact OD2-CZ 3.68Å; D337-R341 VanDerWaalsContact OD2-CZ 3.32Å; D337-R341 IonicContact OD2-NE 3.62Å; D337-R341 PolarHBondContact OD2-NE 3.19Å; D337-R341 VanDerWaalsContact OD2-NE 3.16Å; D337-R341 IonicContact OD2-NH2 2.67Å; D337-R341 PolarHBondContact OD2-NH2 3.03Å
338	K	84.8	Confident	83.4	Confident	146 Å²	146	72.4 Å²	72.4	64%	0.635	36%	0.36	S	S	*	.	H	α-helix	trans	-68.9	-42.8	170.3	-77	171.7	-176.2	174.1	0	111.8	D334 E335 M340 R341 A342	D334-K338 VanDerWaalsContact O-CG 3.3Å; D334-K338 WeakPolarHBondContact O-CG 3.5Å; D334-K338 PolarHBondContact O-N 3.25Å; E335-K338 WeakPolarHBondContact O-CB 3.24Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-K338 VanDerWaalsContact O-N 3.11Å; K338-M340 VanDerWaalsContact C-N 3.34Å; K338-R341 PolarHBondContact O-N 2.68Å; K338-A342 WeakPolarHBondContact O-CB 3.21Å; K338-A342 PolarHBondContact O-N 2.92Å
339	E	83.9	Confident	83.1	Confident	92 Å²	92	70.7 Å²	70.7	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175.7	-71.4	-176.9	173.8	0	0	111.2	E335 L336 R341 A342 V343 L817	E335-E339 PolarHBondContact O-N 2.91Å; L336-E339 PolarHBondContact O-N 3.3Å; E339-R341 PolarHBondContact O-N 3.22Å; E339-A342 PolarHBondContact O-N 3.1Å; E339-V343 WeakPolarHBondContact O-CG2 3.4Å; E339-V343 PolarHBondContact O-N 2.81Å; E339-L817 HydrophobicContact CB-CD1 4.49Å
340	M	81.8	Confident	82.8	Confident	35 Å²	35	69.7 Å²	69.7	17%	0.172	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-44.2	175.9	-172	174.8	66.1	0	0	111.6	L336 D337 K338 A342 V343 E344	L336-M340 WeakPolarHBondContact O-CB 3.33Å; L336-M340 PolarHBondContact O-N 3.18Å; D337-M340 WeakPolarHBondContact OD1-CE 3.45Å; K338-M340 VanDerWaalsContact C-N 3.34Å; M340-A342 PolarHBondContact O-N 3.44Å; M340-V343 PolarHBondContact O-N 2.82Å; M340-E344 WeakPolarHBondContact O-CB 3.39Å; M340-E344 PolarHBondContact O-N 3.09Å
341	R	82.2	Confident	82.1	Confident	147 Å²	147	67.8 Å²	67.8	56%	0.555	34%	0.344	S	S	*	.	H	α-helix	trans	-64.8	-36.4	175	-77.6	-172.4	-105.5	175.7	-6.9	113.1	D337 K338 E339 E344 L345	D337-R341 WeakPolarHBondContact O-CB 3.5Å; D337-R341 WeakPolarHBondContact O-CG 3.34Å; D337-R341 PolarHBondContact O-N 3.46Å; D337-R341 VanDerWaalsContact O-N 3.07Å; D337-R341 IonicContact OD2-CZ 3.68Å; D337-R341 VanDerWaalsContact OD2-CZ 3.32Å; D337-R341 IonicContact OD2-NE 3.62Å; D337-R341 PolarHBondContact OD2-NE 3.19Å; D337-R341 VanDerWaalsContact OD2-NE 3.16Å; D337-R341 IonicContact OD2-NH2 2.67Å; D337-R341 PolarHBondContact OD2-NH2 3.03Å; K338-R341 PolarHBondContact O-N 2.68Å; E339-R341 PolarHBondContact O-N 3.22Å; R341-E344 PolarHBondContact O-N 3.01Å; R341-L345 PolarHBondContact O-N 3.35Å
342	A	84.1	Confident	81.6	Confident	60 Å²	60	71.3 Å²	71.3	50%	0.496	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-40.9	176	0	0	0	0	0	111.9	K338 E339 M340 E344 A346	K338-A342 WeakPolarHBondContact O-CB 3.21Å; K338-A342 PolarHBondContact O-N 2.92Å; E339-A342 PolarHBondContact O-N 3.1Å; M340-A342 PolarHBondContact O-N 3.44Å; A342-E344 VanDerWaalsContact C-N 3.31Å; A342-A346 WeakPolarHBondContact O-CB 3.43Å; A342-A346 PolarHBondContact O-N 2.82Å
343	V	84.3	Confident	81.1	Confident	26 Å²	26	74.8 Å²	74.8	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-38	174.1	172.9	0	0	0	0	111.1	E339 M340 A346 K347 F810 Q813 L817	E339-V343 WeakPolarHBondContact O-CG2 3.4Å; E339-V343 PolarHBondContact O-N 2.81Å; M340-V343 PolarHBondContact O-N 2.82Å; V343-A346 PolarHBondContact O-N 3.49Å; V343-K347 WeakPolarHBondContact O-CB 3.49Å; V343-K347 PolarHBondContact O-N 2.89Å; V343-F810 HydrophobicContact CG1-CD1 4.14Å; V343-Q813 HydrophobicContact CG1-CB 4.46Å; V343-L817 HydrophobicContact CG2-CD1 4.19Å
344	E	79.6	Confident	80.1	Confident	68 Å²	68	74.9 Å²	74.9	32%	0.318	36%	0.36	S	S	.	.	H	α-helix	trans	-70.2	-40.8	178.8	-166.8	144.1	-146.5	0	0	112.8	M340 R341 A342 K347 Q348 K814	M340-E344 WeakPolarHBondContact O-CB 3.39Å; M340-E344 PolarHBondContact O-N 3.09Å; R341-E344 PolarHBondContact O-N 3.01Å; A342-E344 VanDerWaalsContact C-N 3.31Å; E344-K347 PolarHBondContact O-N 2.69Å; E344-Q348 PolarHBondContact O-N 3.12Å; E344-K814 WeakPolarHBondContact OE1-CE 3.42Å; E344-K814 IonicContact OE1-NZ 3.56Å; E344-K814 PolarHBondContact OE1-NZ 2.91Å; E344-K814 IonicContact OE2-NZ 2.85Å
345	L	83.4	Confident	79	Confident	99 Å²	99	77.5 Å²	77.5	52%	0.518	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-45.3	170.2	-112	105.1	0	0	0	111.6	R341 K347 Q348 E349	R341-L345 PolarHBondContact O-N 3.35Å; L345-K347 VanDerWaalsContact C-N 3.25Å; L345-K347 PolarHBondContact O-N 2.71Å; L345-Q348 PolarHBondContact O-N 2.73Å; L345-Q348 VanDerWaalsContact O-N 3.13Å; L345-E349 WeakPolarHBondContact O-CG 3.5Å; L345-E349 PolarHBondContact O-N 3.46Å
346	A	81.8	Confident	77.9	Confident	36 Å²	36	78.5 Å²	78.5	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-33.2	178.9	0	0	0	0	0	112.4	A342 V343 F350 F810	A342-A346 WeakPolarHBondContact O-CB 3.43Å; A342-A346 PolarHBondContact O-N 2.82Å; V343-A346 PolarHBondContact O-N 3.49Å; A346-F350 VanDerWaalsContact O-CB 3.28Å; A346-F350 WeakPolarHBondContact O-CB 3.29Å; A346-F350 PolarHBondContact O-N 3.4Å; A346-F350 VanDerWaalsContact O-N 3.12Å; A346-F810 HydrophobicContact CB-CE1 4.45Å
347	K	80.7	Confident	76.7	Confident	33 Å²	33	82.2 Å²	82.2	14%	0.143	39%	0.392	C	S	.	.	H	α-helix	trans	-66.2	-45.9	172	-177.2	-173.2	171.8	-173.6	0	111.3	V343 E344 L345 F350 E351 F810 E811	V343-K347 WeakPolarHBondContact O-CB 3.49Å; V343-K347 PolarHBondContact O-N 2.89Å; E344-K347 PolarHBondContact O-N 2.69Å; L345-K347 VanDerWaalsContact C-N 3.25Å; L345-K347 PolarHBondContact O-N 2.71Å; K347-F350 WeakPolarHBondContact O-CB 3.3Å; K347-F350 PolarHBondContact O-N 3.09Å; K347-E351 WeakPolarHBondContact CE-OE1 3.47Å; K347-E351 WeakPolarHBondContact O-CG 3.43Å; K347-E351 PolarHBondContact O-N 2.74Å; K347-F810 HydrophobicContact CB-CB 4.33Å; K347-F810 HydrophobicContact CB-CD2 4.37Å; K347-F810 HydrophobicContact CB-CG 4.27Å; K347-F810 HydrophobicContact CD-CB 4.35Å; K347-F810 HydrophobicContact CG-CB 4.28Å; K347-F810 HydrophobicContact CG-CD2 4.4Å; K347-F810 HydrophobicContact CG-CG 4.5Å; K347-E811 WeakPolarHBondContact CE-OE2 3.47Å; K347-E811 IonicContact NZ-OE1 2.73Å; K347-E811 PolarHBondContact NZ-OE1 2.87Å; K347-E811 IonicContact NZ-OE2 2.74Å; K347-E811 PolarHBondContact NZ-OE2 3.35Å
348	Q	77.2	Confident	75.4	Confident	107 Å²	107	84.1 Å²	84.1	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-47.3	178.2	-76.3	-179.6	-24.3	0	0	112.1	E344 L345 F350 E351 E352	E344-Q348 PolarHBondContact O-N 3.12Å; L345-Q348 PolarHBondContact O-N 2.73Å; L345-Q348 VanDerWaalsContact O-N 3.13Å; Q348-F350 PolarHBondContact O-N 3.35Å; Q348-E351 PolarHBondContact O-N 2.88Å; Q348-E351 VanDerWaalsContact O-N 3.09Å; Q348-E352 PolarHBondContact O-N 3.29Å
349	E	80.9	Confident	73.7	Confident	96 Å²	96	85.4 Å²	85.4	45%	0.449	42%	0.421	S	S	.	.	H	α-helix	trans	-62.3	-27.2	176	-72.2	-179.4	-177.4	0	0	113.2	L345 R353	L345-E349 WeakPolarHBondContact O-CG 3.5Å; L345-E349 PolarHBondContact O-N 3.46Å; E349-R353 WeakPolarHBondContact O-CB 3.46Å; E349-R353 PolarHBondContact O-N 2.92Å; E349-R353 PolarHBondContact O-NE 3.02Å; E349-R353 IonicContact OE2-NH2 3.49Å
350	F	78.3	Confident	72.2	Confident	26 Å²	26	85.3 Å²	85.3	11%	0.114	43%	0.43	C	S	.	.	H	α-helix	trans	-75.9	-43.5	173.1	178.2	-104	0	0	0	110.9	A346 K347 Q348 R353 M354 K806 F810	A346-F350 VanDerWaalsContact O-CB 3.28Å; A346-F350 WeakPolarHBondContact O-CB 3.29Å; A346-F350 PolarHBondContact O-N 3.4Å; A346-F350 VanDerWaalsContact O-N 3.12Å; K347-F350 WeakPolarHBondContact O-CB 3.3Å; K347-F350 PolarHBondContact O-N 3.09Å; Q348-F350 PolarHBondContact O-N 3.35Å; F350-R353 PolarHBondContact O-N 3.41Å; F350-M354 HydrophobicContact CD1-CG 4.39Å; F350-M354 HydrophobicContact CE1-CG 4.01Å; F350-M354 HydrophobicContact CE2-CG 4.19Å; F350-M354 HydrophobicContact CE2-SD 3.89Å; F350-M354 HydrophobicContact CZ-CG 3.9Å; F350-M354 HydrophobicContact CZ-SD 3.95Å; F350-M354 VanDerWaalsContact O-CG 3.28Å; F350-M354 WeakPolarHBondContact O-CG 3.32Å; F350-M354 PolarHBondContact O-N 3.09Å; F350-K806 HydrophobicContact CD2-CD 4.48Å; F350-K806 HydrophobicContact CE1-CB 3.96Å; F350-K806 HydrophobicContact CE1-CD 4.38Å; F350-K806 HydrophobicContact CE2-CD 3.68Å; F350-K806 HydrophobicContact CZ-CB 3.93Å; F350-K806 HydrophobicContact CZ-CD 3.62Å; F350-K806 HydrophobicContact CZ-CG 4.41Å; F350-F810 HydrophobicContact CB-CE2 4.26Å; F350-F810 HydrophobicContact CD1-CE2 4.15Å; F350-F810 HydrophobicContact CG-CE2 4.17Å
351	E	71.2	Confident	70.6	Confident	52 Å²	52	89.6 Å²	89.6	24%	0.243	45%	0.45	C	S	.	.	H	α-helix	trans	-64.3	-42.8	178.1	-74.7	177.3	161.9	0	0	112.6	K347 Q348 M354 E355 R807	K347-E351 WeakPolarHBondContact CE-OE1 3.47Å; K347-E351 WeakPolarHBondContact O-CG 3.43Å; K347-E351 PolarHBondContact O-N 2.74Å; Q348-E351 PolarHBondContact O-N 2.88Å; Q348-E351 VanDerWaalsContact O-N 3.09Å; E351-M354 PolarHBondContact O-N 3.19Å; E351-E355 PolarHBondContact O-N 3.48Å; E351-R807 IonicContact OE1-CZ 3.84Å; E351-R807 IonicContact OE1-NE 2.81Å; E351-R807 PolarHBondContact OE1-NE 2.86Å; E351-R807 IonicContact OE1-NH2 3.91Å
352	E	73.9	Confident	68.9	Low	125 Å²	125	86.1 Å²	86.1	58%	0.584	46%	0.46	S	S	*	.	H	α-helix	trans	-62.6	-43.5	175.3	-73.3	179.1	170.4	0	0	111.8	Q348 M354 E355 E356	Q348-E352 PolarHBondContact O-N 3.29Å; E352-M354 VanDerWaalsContact C-N 3.33Å; E352-M354 PolarHBondContact O-N 2.97Å; E352-E355 PolarHBondContact O-N 3.39Å; E352-E356 WeakPolarHBondContact O-CG 3.44Å; E352-E356 PolarHBondContact O-N 3.5Å
353	R	73.3	Confident	67.1	Low	136 Å²	136	92.6 Å²	92.6	51%	0.513	48%	0.48	S	S	.	.	H	α-helix	trans	-59.6	-41.4	173.7	-98.3	179.9	-80.2	-178.8	-13.2	112.7	E349 F350 E355 E356 E357	E349-R353 WeakPolarHBondContact O-CB 3.46Å; E349-R353 PolarHBondContact O-N 2.92Å; E349-R353 PolarHBondContact O-NE 3.02Å; E349-R353 IonicContact OE2-NH2 3.49Å; F350-R353 PolarHBondContact O-N 3.41Å; R353-E355 VanDerWaalsContact C-N 3.34Å; R353-E356 PolarHBondContact O-N 3.37Å; R353-E357 WeakPolarHBondContact O-CB 3.33Å; R353-E357 WeakPolarHBondContact O-CG 3.35Å; R353-E357 PolarHBondContact O-N 3.04Å
354	M	64.6	Low	65.2	Low	34 Å²	34	96.6 Å²	96.6	17%	0.167	50%	0.5	C	S	.	.	H	α-helix	trans	-69.4	-32.2	178.4	-65.7	-38.1	-59.7	0	0	112.3	F350 E351 E352 E357 A358 I803	F350-M354 HydrophobicContact CD1-CG 4.39Å; F350-M354 HydrophobicContact CE1-CG 4.01Å; F350-M354 HydrophobicContact CE2-CG 4.19Å; F350-M354 HydrophobicContact CE2-SD 3.89Å; F350-M354 HydrophobicContact CZ-CG 3.9Å; F350-M354 HydrophobicContact CZ-SD 3.95Å; F350-M354 VanDerWaalsContact O-CG 3.28Å; F350-M354 WeakPolarHBondContact O-CG 3.32Å; F350-M354 PolarHBondContact O-N 3.09Å; E351-M354 PolarHBondContact O-N 3.19Å; E352-M354 VanDerWaalsContact C-N 3.33Å; E352-M354 PolarHBondContact O-N 2.97Å; M354-E357 WeakPolarHBondContact CE-OE2 3.45Å; M354-A358 WeakPolarHBondContact O-CB 3.27Å; M354-A358 PolarHBondContact O-N 3.09Å; M354-I803 HydrophobicContact CE-CD1 3.43Å; M354-I803 VanDerWaalsContact CE-CD1 3.43Å; M354-I803 HydrophobicContact CE-CG1 3.68Å; M354-I803 HydrophobicContact CG-CD1 4.5Å; M354-I803 HydrophobicContact CG-CG1 4.34Å; M354-I803 HydrophobicContact SD-CG1 4.39Å
355	E	62	Low	63.8	Low	127 Å²	127	99 Å²	99	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-71.6	-39.2	174.8	-81.2	-177.4	165.8	0	0	112.5	E351 E352 R353 A358 Q359	E351-E355 PolarHBondContact O-N 3.48Å; E352-E355 PolarHBondContact O-N 3.39Å; R353-E355 VanDerWaalsContact C-N 3.34Å; E355-A358 PolarHBondContact O-N 2.97Å; E355-Q359 PolarHBondContact O-N 3.4Å; E355-Q359 VanDerWaalsContact O-N 3.16Å
356	E	62	Low	62.2	Low	137 Å²	137	99.9 Å²	99.9	64%	0.64	52%	0.524	S	S	*	.	H	α-helix	trans	-65.8	-39.2	173.3	-72.7	-177.3	164.1	0	0	112.3	E352 R353 Q359 S360	E352-E356 WeakPolarHBondContact O-CG 3.44Å; E352-E356 PolarHBondContact O-N 3.5Å; R353-E356 PolarHBondContact O-N 3.37Å; E356-Q359 PolarHBondContact O-N 2.92Å; E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 3.19Å; E356-S360 PolarHBondContact O-OG 3.26Å
357	E	58.3	Low	60.8	Low	109 Å²	109	99.9 Å²	99.9	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-67.2	-34.6	173.6	-76.7	-179.2	179.1	0	0	112.4	R353 M354 Q359 S360	R353-E357 WeakPolarHBondContact O-CB 3.33Å; R353-E357 WeakPolarHBondContact O-CG 3.35Å; R353-E357 PolarHBondContact O-N 3.04Å; M354-E357 WeakPolarHBondContact CE-OE2 3.45Å; E357-Q359 VanDerWaalsContact C-N 3.33Å; E357-Q359 PolarHBondContact O-N 3.42Å; E357-S360 WeakPolarHBondContact CA-OG 3.34Å; E357-S360 PolarHBondContact O-OG 3.01Å
358	A	54.3	Low	59.6	Low	76 Å²	76	105 Å²	105	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-69.8	-27.5	175.9	0	0	0	0	0	113.4	M354 E355	M354-A358 WeakPolarHBondContact O-CB 3.27Å; M354-A358 PolarHBondContact O-N 3.09Å; E355-A358 PolarHBondContact O-N 2.97Å
359	Q	49.7	Very low	58.4	Low	172 Å²	172	107.4 Å²	107.4	80%	0.804	56%	0.555	S	S	*	*	H	α-helix	trans	-86.5	-22	177.2	-71.9	-178.8	6.5	0	0	113.7	E355 E356 E357	E355-Q359 PolarHBondContact O-N 3.4Å; E355-Q359 VanDerWaalsContact O-N 3.16Å; E356-Q359 PolarHBondContact O-N 2.92Å; E357-Q359 VanDerWaalsContact C-N 3.33Å; E357-Q359 PolarHBondContact O-N 3.42Å
360	S	52.4	Low	57.2	Low	90 Å²	90	108.4 Å²	108.4	63%	0.629	56%	0.563	S	S	*	*	H	α-helix	trans	-92	-12.8	-175.3	55.2	0	0	0	0	115.1	E356 E357	E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 3.19Å; E356-S360 PolarHBondContact O-OG 3.26Å; E357-S360 WeakPolarHBondContact CA-OG 3.34Å; E357-S360 PolarHBondContact O-OG 3.01Å
361	Q	48.9	Very low	56.3	Low	125 Å²	125	109.4 Å²	109.4	58%	0.584	57%	0.568	S	S	*	*			trans	-102.1	96.2	172.1	-71	-172.4	-11.3	0	0	111.1
362	G	46.1	Very low	55.8	Low	74 Å²	74	109.5 Å²	109.5	76%	0.763	57%	0.572	S	S	*	*			trans	-74	148.2	170.7	0	0	0	0	0	112.9
363	Q	46.4	Very low	55.2	Low	197 Å²	197	110 Å²	110	92%	0.921	57%	0.572	S	S	*	*			trans	74.1	87.4	-179.5	-77.6	-178.6	-21.2	0	0	116.5
364	D	43.5	Very low	54.9	Low	109 Å²	109	107.5 Å²	107.5	58%	0.583	57%	0.567	S	S	*	*			trans	-84.6	113.1	164.5	-148	14.8	0	0	0	108.5	T366 K796	D364-T366 PolarHBondContact O-N 3.44Å; D364-K796 VanDerWaalsContact CG-NZ 3.32Å; D364-K796 WeakPolarHBondContact OD1-CE 3.33Å; D364-K796 IonicContact OD1-NZ 3.53Å; D364-K796 PolarHBondContact OD1-NZ 3.5Å; D364-K796 WeakPolarHBondContact OD2-CE 3.44Å; D364-K796 IonicContact OD2-NZ 2.76Å; D364-K796 PolarHBondContact OD2-NZ 2.94Å
365	L	50.6	Low	55.1	Low	120 Å²	120	107.5 Å²	107.5	63%	0.628	57%	0.565	S	S	*	*			trans	-62.5	101.7	169.7	-94.9	121.5	0	0	0	108.4
366	T	49.5	Very low	55.3	Low	116 Å²	116	106.8 Å²	106.8	71%	0.712	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-91.3	118.4	170.5	42.2	0	0	0	0	108.4	D364	D364-T366 PolarHBondContact O-N 3.44Å
367	L	53	Low	55.8	Low	36 Å²	36	109.5 Å²	109.5	19%	0.188	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-66.3	137.6	174.6	-68.3	175.4	0	0	0	109.9	Q371 V372 F780 I784 F792	L367-Q371 HydrophobicContact CB-CB 4.17Å; L367-Q371 HydrophobicContact CD2-CB 4.09Å; L367-V372 HydrophobicContact CB-CG2 4.02Å; L367-F780 HydrophobicContact CD1-CZ 4.42Å; L367-I784 HydrophobicContact CD2-CB 4.37Å; L367-I784 HydrophobicContact CD2-CG2 3.45Å; L367-I784 VanDerWaalsContact CD2-CG2 3.45Å; L367-F792 HydrophobicContact CD1-CE1 3.66Å; L367-F792 HydrophobicContact CD1-CE2 4.18Å; L367-F792 HydrophobicContact CD1-CZ 3.29Å; L367-F792 HydrophobicContact CD2-CE2 4.47Å; L367-F792 HydrophobicContact CD2-CZ 4.35Å; L367-F792 HydrophobicContact CG-CE1 4.49Å; L367-F792 HydrophobicContact CG-CE2 4.14Å; L367-F792 HydrophobicContact CG-CZ 3.67Å
368	E	55.4	Low	56.5	Low	141 Å²	141	105.8 Å²	105.8	66%	0.659	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-68.3	154.4	170.9	-69	-175.3	168.2	0	0	110.9	N370 Q371 V372	E368-N370 PolarHBondContact O-N 3.41Å; E368-Q371 WeakPolarHBondContact O-CB 3.13Å; E368-Q371 PolarHBondContact O-N 3.02Å; E368-V372 PolarHBondContact O-N 3.04Å
369	E	51.1	Low	57.3	Low	157 Å²	157	105.8 Å²	105.8	73%	0.734	54%	0.535	S	S	*	.	H	α-helix	trans	-57.3	-24.3	-173.8	-154.5	178.3	-175.4	0	0	113.8
370	N	57.4	Low	58.2	Low	117 Å²	117	102.9 Å²	102.9	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-76.4	-35.9	173.6	-75.6	-24.4	0	0	0	113.3	E368 V372 K373 Q374	E368-N370 PolarHBondContact O-N 3.41Å; N370-V372 VanDerWaalsContact C-N 3.33Å; N370-K373 PolarHBondContact O-N 3.28Å; N370-Q374 PolarHBondContact O-N 3.03Å; N370-Q374 VanDerWaalsContact O-N 3.16Å
371	Q	59.5	Low	59.2	Low	47 Å²	47	102.3 Å²	102.3	22%	0.22	51%	0.509	C	S	.	.	H	α-helix	trans	-71.3	-30.7	177.8	-66.7	176.3	-29.7	0	0	111.4	L367 E368 Q374 Y375 F780	L367-Q371 HydrophobicContact CB-CB 4.17Å; L367-Q371 HydrophobicContact CD2-CB 4.09Å; E368-Q371 WeakPolarHBondContact O-CB 3.13Å; E368-Q371 PolarHBondContact O-N 3.02Å; Q371-Q374 PolarHBondContact O-N 3.13Å; Q371-Y375 VanDerWaalsContact O-CB 3.3Å; Q371-Y375 WeakPolarHBondContact O-CB 3.48Å; Q371-Y375 PolarHBondContact O-N 2.77Å; Q371-F780 HydrophobicContact CB-CE2 4.39Å
372	V	59.8	Low	60.3	Low	55 Å²	55	96.4 Å²	96.4	33%	0.333	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-39.9	172.9	178.3	0	0	0	0	111.7	L367 E368 N370 Y375 H376	L367-V372 HydrophobicContact CB-CG2 4.02Å; E368-V372 PolarHBondContact O-N 3.04Å; N370-V372 VanDerWaalsContact C-N 3.33Å; V372-Y375 PolarHBondContact O-N 3.24Å; V372-H376 PolarHBondContact O-CD2 3.31Å; V372-H376 PolarHBondContact O-N 2.93Å
373	K	61.9	Low	61.4	Low	134 Å²	134	96.7 Å²	96.7	58%	0.583	47%	0.472	S	S	*	.	H	α-helix	trans	-67.7	-39	175.6	-71.3	175.9	-175.8	167.1	0	112.2	N370 H376 R377	N370-K373 PolarHBondContact O-N 3.28Å; K373-H376 PolarHBondContact O-N 3.25Å; K373-R377 PolarHBondContact O-N 2.98Å; K373-R377 VanDerWaalsContact O-N 3.09Å
374	Q	66.2	Low	62.8	Low	84 Å²	84	94 Å²	94	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-67.5	-41.6	176.1	-168.8	174.4	-11.5	0	0	111.6	N370 Q371 R377 L378 F780	N370-Q374 PolarHBondContact O-N 3.03Å; N370-Q374 VanDerWaalsContact O-N 3.16Å; Q371-Q374 PolarHBondContact O-N 3.13Å; Q374-R377 PolarHBondContact O-N 3.29Å; Q374-L378 HydrophobicContact CG-CD1 4.23Å; Q374-L378 WeakPolarHBondContact O-CG 3.32Å; Q374-L378 PolarHBondContact O-N 3.37Å; Q374-F780 HydrophobicContact CB-CE2 4.34Å; Q374-F780 HydrophobicContact CG-CD2 4.2Å; Q374-F780 HydrophobicContact CG-CE2 4.44Å
375	Y	68.5	Low	64.3	Low	34 Å²	34	95.2 Å²	95.2	13%	0.133	45%	0.453	C	S	.	.	H	α-helix	trans	-56.4	-49.6	171.1	169.3	-99.7	0	0	0	112.3	Q371 V372 R377 L378 K379 F777 F780 I789 E793	Q371-Y375 VanDerWaalsContact O-CB 3.3Å; Q371-Y375 WeakPolarHBondContact O-CB 3.48Å; Q371-Y375 PolarHBondContact O-N 2.77Å; V372-Y375 PolarHBondContact O-N 3.24Å; Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3Å; Y375-L378 PolarHBondContact O-N 3.11Å; Y375-K379 HydrophobicContact CE1-CD 4.03Å; Y375-K379 HydrophobicContact CE2-CD 4.28Å; Y375-K379 VanDerWaalsContact O-CB 3.29Å; Y375-K379 WeakPolarHBondContact O-CB 3.26Å; Y375-K379 PolarHBondContact O-N 2.88Å; Y375-K379 WeakPolarHBondContact OH-CD 3.43Å; Y375-K379 PolarHBondContact OH-NZ 3.15Å; Y375-F777 AromaticContact CD2-CE1 3.86Å; Y375-F777 HydrophobicContact CD2-CE1 3.86Å; Y375-F777 HydrophobicContact CD2-CZ 4.49Å; Y375-F777 HydrophobicContact CE2-CE1 4.21Å; Y375-F780 AromaticContact CD2-CE1 3.92Å; Y375-F780 HydrophobicContact CD2-CE1 3.92Å; Y375-F780 HydrophobicContact CD2-CZ 4.37Å; Y375-F780 HydrophobicContact CG-CE1 4.47Å; Y375-F780 HydrophobicContact CG-CZ 4.48Å; Y375-I789 HydrophobicContact CD2-CD1 4Å; Y375-I789 HydrophobicContact CE2-CD1 3.86Å; Y375-I789 HydrophobicContact CE2-CG1 4.18Å; Y375-E793 WeakPolarHBondContact CE2-OE1 3.36Å; Y375-E793 VanDerWaalsContact CZ-OE1 3.32Å; Y375-E793 PolarHBondContact OH-OE1 3Å
376	H	66.4	Low	65.6	Low	112 Å²	112	89.6 Å²	89.6	52%	0.519	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-38	178.3	-77.6	-58.6	0	0	0	112.7	V372 K373 K379 E380	V372-H376 PolarHBondContact O-CD2 3.31Å; V372-H376 PolarHBondContact O-N 2.93Å; K373-H376 PolarHBondContact O-N 3.25Å; H376-K379 PolarHBondContact O-N 2.62Å; H376-E380 WeakPolarHBondContact O-CB 3.25Å; H376-E380 PolarHBondContact O-N 3.16Å
377	R	71.7	Confident	66.8	Low	194 Å²	194	86.1 Å²	86.1	73%	0.732	41%	0.408	S	S	*	.	H	α-helix	trans	-67	-44.2	177.4	-170.2	177.7	-179.8	176.9	-0.4	112.3	K373 Q374 Y375 K379 E380 E381	K373-R377 PolarHBondContact O-N 2.98Å; K373-R377 VanDerWaalsContact O-N 3.09Å; Q374-R377 PolarHBondContact O-N 3.29Å; Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3Å; R377-K379 VanDerWaalsContact C-N 3.33Å; R377-E380 PolarHBondContact O-N 3.24Å; R377-E381 PolarHBondContact O-N 3.05Å; R377-E381 VanDerWaalsContact O-N 3.09Å
378	L	72.9	Confident	68.1	Low	32 Å²	32	89 Å²	89	17%	0.168	43%	0.426	C	S	.	.	H	α-helix	trans	-67.5	-35.2	176.4	-69.7	170.8	0	0	0	111.7	Q374 Y375 E380 E381 A382 V776 F777 F780	Q374-L378 HydrophobicContact CG-CD1 4.23Å; Q374-L378 WeakPolarHBondContact O-CG 3.32Å; Q374-L378 PolarHBondContact O-N 3.37Å; Y375-L378 PolarHBondContact O-N 3.11Å; L378-E380 VanDerWaalsContact C-N 3.35Å; L378-E381 PolarHBondContact O-N 3.41Å; L378-A382 WeakPolarHBondContact O-CB 3.32Å; L378-A382 PolarHBondContact O-N 3.19Å; L378-V776 HydrophobicContact CB-CG1 4.39Å; L378-V776 HydrophobicContact CD2-CG1 4.22Å; L378-V776 WeakPolarHBondContact O-CG1 3.49Å; L378-F777 HydrophobicContact CB-CD1 3.99Å; L378-F777 HydrophobicContact CB-CE1 3.57Å; L378-F777 HydrophobicContact CB-CE2 4.44Å; L378-F777 HydrophobicContact CB-CZ 3.85Å; L378-F777 HydrophobicContact CD1-CD1 4.24Å; L378-F777 HydrophobicContact CD1-CE1 4.44Å; L378-F780 HydrophobicContact CD1-CB 3.49Å; L378-F780 VanDerWaalsContact CD1-CB 3.49Å; L378-F780 HydrophobicContact CD1-CD2 4Å; L378-F780 HydrophobicContact CD1-CG 3.8Å
379	K	71.8	Confident	69.2	Low	75 Å²	75	83.5 Å²	83.5	33%	0.326	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-38.9	174.3	-163.2	146.7	-174.7	158.2	0	112	Y375 H376 R377 E381 S383 F777 E793	Y375-K379 HydrophobicContact CE1-CD 4.03Å; Y375-K379 HydrophobicContact CE2-CD 4.28Å; Y375-K379 VanDerWaalsContact O-CB 3.29Å; Y375-K379 WeakPolarHBondContact O-CB 3.26Å; Y375-K379 PolarHBondContact O-N 2.88Å; Y375-K379 WeakPolarHBondContact OH-CD 3.43Å; Y375-K379 PolarHBondContact OH-NZ 3.15Å; H376-K379 PolarHBondContact O-N 2.62Å; R377-K379 VanDerWaalsContact C-N 3.33Å; K379-E381 VanDerWaalsContact C-N 3.33Å; K379-S383 WeakPolarHBondContact O-CB 3.5Å; K379-S383 PolarHBondContact O-N 3.21Å; K379-F777 HydrophobicContact CB-CZ 3.86Å; K379-F777 HydrophobicContact CG-CZ 4.45Å; K379-F777 VanDerWaalsContact N-CZ 3.33Å; K379-E793 VanDerWaalsContact NZ-CD 3.34Å; K379-E793 IonicContact NZ-OE1 3.29Å; K379-E793 PolarHBondContact NZ-OE1 3.49Å; K379-E793 IonicContact NZ-OE2 3.46Å; K379-E793 PolarHBondContact NZ-OE2 3.13Å
380	E	68.6	Low	70.4	Confident	112 Å²	112	77.8 Å²	77.8	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-35	174.9	-151.3	-168.6	144.1	0	0	112	H376 R377 L378 K384	H376-E380 WeakPolarHBondContact O-CB 3.25Å; H376-E380 PolarHBondContact O-N 3.16Å; R377-E380 PolarHBondContact O-N 3.24Å; L378-E380 VanDerWaalsContact C-N 3.35Å; E380-K384 WeakPolarHBondContact O-CG 3.5Å; E380-K384 PolarHBondContact O-N 3.31Å; E380-K384 VanDerWaalsContact O-N 3.11Å; E380-K384 IonicContact OE1-NZ 2.59Å; E380-K384 PolarHBondContact OE1-NZ 3.49Å
381	E	74.3	Confident	71.5	Confident	78 Å²	78	78.9 Å²	78.9	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-72.4	-43.5	175.6	-171.4	170.8	174.4	0	0	112.7	R377 L378 K379 S383 K384 R385 V776	R377-E381 PolarHBondContact O-N 3.05Å; R377-E381 VanDerWaalsContact O-N 3.09Å; L378-E381 PolarHBondContact O-N 3.41Å; K379-E381 VanDerWaalsContact C-N 3.33Å; E381-S383 VanDerWaalsContact C-N 3.31Å; E381-S383 PolarHBondContact O-N 3.44Å; E381-K384 PolarHBondContact O-N 2.93Å; E381-R385 PolarHBondContact O-N 3.38Å; E381-R385 IonicContact OE1-CZ 2.85Å; E381-R385 IonicContact OE1-NE 3.98Å; E381-R385 IonicContact OE1-NH2 3.5Å; E381-R385 PolarHBondContact OE1-NH2 3.02Å; E381-V776 HydrophobicContact CB-CG1 4.26Å; E381-V776 HydrophobicContact CG-CG1 4.42Å
382	A	72	Confident	72.5	Confident	1 Å²	1	81.1 Å²	81.1	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-41.3	173.8	0	0	0	0	0	111.3	L378 K384 R385 A386 E773 V776 F777	L378-A382 WeakPolarHBondContact O-CB 3.32Å; L378-A382 PolarHBondContact O-N 3.19Å; A382-K384 VanDerWaalsContact C-N 3.35Å; A382-K384 PolarHBondContact O-N 3.03Å; A382-R385 PolarHBondContact O-N 3.15Å; A382-A386 VanDerWaalsContact O-CB 3.28Å; A382-A386 WeakPolarHBondContact O-CB 3.22Å; A382-A386 PolarHBondContact O-N 3.32Å; A382-E773 HydrophobicContact CB-CG 4.18Å; A382-V776 HydrophobicContact CB-CB 4.05Å; A382-V776 HydrophobicContact CB-CG1 3.96Å; A382-V776 HydrophobicContact CB-CG2 4.26Å; A382-F777 HydrophobicContact CB-CD2 4.39Å; A382-F777 HydrophobicContact CB-CE2 3.82Å
383	S	69.4	Low	73.7	Confident	79 Å²	79	79.8 Å²	79.8	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-37.3	175.4	-173.6	0	0	0	0	112.7	K379 E381 A387	K379-S383 WeakPolarHBondContact O-CB 3.5Å; K379-S383 PolarHBondContact O-N 3.21Å; E381-S383 VanDerWaalsContact C-N 3.31Å; E381-S383 PolarHBondContact O-N 3.44Å; S383-A387 WeakPolarHBondContact O-CB 3.25Å; S383-A387 PolarHBondContact O-N 3.48Å; S383-A387 VanDerWaalsContact O-N 3.14Å
384	K	74.8	Confident	74.6	Confident	140 Å²	140	78.1 Å²	78.1	61%	0.609	38%	0.378	S	S	*	.	H	α-helix	trans	-67.7	-41.7	174.8	-76.6	170.1	-172.3	162.3	0	112.4	E380 E381 A382 A387	E380-K384 WeakPolarHBondContact O-CG 3.5Å; E380-K384 PolarHBondContact O-N 3.31Å; E380-K384 VanDerWaalsContact O-N 3.11Å; E380-K384 IonicContact OE1-NZ 2.59Å; E380-K384 PolarHBondContact OE1-NZ 3.49Å; E381-K384 PolarHBondContact O-N 2.93Å; A382-K384 VanDerWaalsContact C-N 3.35Å; A382-K384 PolarHBondContact O-N 3.03Å; K384-A387 WeakPolarHBondContact O-CB 3.49Å
385	R	75.3	Confident	75.5	Confident	135 Å²	135	80.5 Å²	80.5	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-73	-34.4	179.2	-67.3	-172.8	-168.1	-176.4	6	112.8	E381 A382 A387 V772	E381-R385 PolarHBondContact O-N 3.38Å; E381-R385 IonicContact OE1-CZ 2.85Å; E381-R385 IonicContact OE1-NE 3.98Å; E381-R385 IonicContact OE1-NH2 3.5Å; E381-R385 PolarHBondContact OE1-NH2 3.02Å; A382-R385 PolarHBondContact O-N 3.15Å; R385-A387 VanDerWaalsContact C-N 3.35Å; R385-V772 HydrophobicContact CB-CG1 3.74Å
386	A	77.6	Confident	76.3	Confident	3 Å²	3	81.6 Å²	81.6	3%	0.025	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.1	178.3	0	0	0	0	0	113.7	A382 T388 L389 A390 M769 V772	A382-A386 VanDerWaalsContact O-CB 3.28Å; A382-A386 WeakPolarHBondContact O-CB 3.22Å; A382-A386 PolarHBondContact O-N 3.32Å; A386-T388 VanDerWaalsContact C-N 3.34Å; A386-T388 PolarHBondContact O-N 2.93Å; A386-L389 PolarHBondContact O-N 3.16Å; A386-A390 VanDerWaalsContact O-CB 3.31Å; A386-A390 WeakPolarHBondContact O-CB 3.42Å; A386-A390 PolarHBondContact O-N 2.99Å; A386-M769 HydrophobicContact CB-CE 4.2Å; A386-V772 HydrophobicContact CB-CG1 4.34Å
387	A	76.2	Confident	77	Confident	43 Å²	43	78.8 Å²	78.8	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-58.8	-38.5	-171.2	0	0	0	0	0	114.3	S383 K384 R385 Q391	S383-A387 WeakPolarHBondContact O-CB 3.25Å; S383-A387 PolarHBondContact O-N 3.48Å; S383-A387 VanDerWaalsContact O-N 3.14Å; K384-A387 WeakPolarHBondContact O-CB 3.49Å; R385-A387 VanDerWaalsContact C-N 3.35Å; A387-Q391 WeakPolarHBondContact O-CG 3.43Å; A387-Q391 PolarHBondContact O-N 3.41Å; A387-Q391 VanDerWaalsContact O-N 3.07Å
388	T	78.6	Confident	77.5	Confident	95 Å²	95	77.2 Å²	77.2	58%	0.583	38%	0.375	S	S	*	.	H	α-helix	trans	-70	-45	178	47.8	0	0	0	0	111.8	A386 A390 Q391 E392	A386-T388 VanDerWaalsContact C-N 3.34Å; A386-T388 PolarHBondContact O-N 2.93Å; T388-A390 VanDerWaalsContact C-N 3.3Å; T388-A390 PolarHBondContact O-N 3.04Å; T388-Q391 PolarHBondContact O-N 3.28Å; T388-E392 PolarHBondContact O-N 3.31Å; T388-E392 VanDerWaalsContact O-N 3.13Å
389	L	80.1	Confident	78	Confident	27 Å²	27	78.8 Å²	78.8	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-64.6	-35.3	174.3	-66.8	171.3	0	0	0	111.7	A386 E392 L393 L765 R768 M769 V772	A386-L389 PolarHBondContact O-N 3.16Å; L389-E392 PolarHBondContact O-N 3.03Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.41Å; L389-L393 PolarHBondContact O-N 3.36Å; L389-L765 HydrophobicContact CD2-CD2 4Å; L389-R768 HydrophobicContact CD1-CB 4.28Å; L389-M769 HydrophobicContact CB-CG 3.53Å; L389-M769 HydrophobicContact CB-SD 4.2Å; L389-M769 HydrophobicContact CD1-CG 4.13Å; L389-M769 HydrophobicContact CG-CG 4.46Å; L389-V772 HydrophobicContact CD1-CG2 4.41Å
390	A	76.3	Confident	78.7	Confident	36 Å²	36	76.5 Å²	76.5	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-39.6	176	0	0	0	0	0	112.2	A386 T388 L393 E394 M769	A386-A390 VanDerWaalsContact O-CB 3.31Å; A386-A390 WeakPolarHBondContact O-CB 3.42Å; A386-A390 PolarHBondContact O-N 2.99Å; T388-A390 VanDerWaalsContact C-N 3.3Å; T388-A390 PolarHBondContact O-N 3.04Å; A390-L393 PolarHBondContact O-N 3.15Å; A390-E394 WeakPolarHBondContact O-CB 3.43Å; A390-E394 PolarHBondContact O-N 3.37Å; A390-M769 HydrophobicContact CB-CE 3.87Å; A390-M769 HydrophobicContact CB-SD 4.43Å
391	Q	79.5	Confident	79.5	Confident	140 Å²	140	77.9 Å²	77.9	65%	0.654	38%	0.379	S	S	*	.	H	α-helix	trans	-65.8	-41.7	173.9	-77.2	-178.1	-11.5	0	0	112.4	A387 T388 E394 K395	A387-Q391 WeakPolarHBondContact O-CG 3.43Å; A387-Q391 PolarHBondContact O-N 3.41Å; A387-Q391 VanDerWaalsContact O-N 3.07Å; T388-Q391 PolarHBondContact O-N 3.28Å; Q391-E394 PolarHBondContact O-N 3.44Å; Q391-K395 PolarHBondContact O-N 2.91Å
392	E	81.4	Confident	79.9	Confident	94 Å²	94	76.7 Å²	76.7	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-45.9	174.5	-72.9	-177.5	176	0	0	111.2	T388 L389 E394 K395 F396 L765	T388-E392 PolarHBondContact O-N 3.31Å; T388-E392 VanDerWaalsContact O-N 3.13Å; L389-E392 PolarHBondContact O-N 3.03Å; E392-E394 VanDerWaalsContact C-N 3.32Å; E392-E394 PolarHBondContact O-N 3.02Å; E392-K395 WeakPolarHBondContact O-CB 3.43Å; E392-K395 PolarHBondContact O-N 3.04Å; E392-F396 VanDerWaalsContact O-CD2 3.25Å; E392-F396 WeakPolarHBondContact O-CD2 3.37Å; E392-F396 PolarHBondContact O-N 3.11Å; E392-L765 HydrophobicContact CB-CD1 4.48Å; E392-L765 HydrophobicContact CB-CD2 4.44Å
393	L	83.8	Confident	80.6	Confident	27 Å²	27	77.9 Å²	77.9	14%	0.141	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-38.7	176.3	-175.8	125.5	0	0	0	112.1	L389 A390 F396 N397 I762 L765 R766 M769	L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.41Å; L389-L393 PolarHBondContact O-N 3.36Å; A390-L393 PolarHBondContact O-N 3.15Å; L393-F396 PolarHBondContact O-N 3.33Å; L393-N397 WeakPolarHBondContact CD2-ND2 3.46Å; L393-N397 WeakPolarHBondContact O-CB 3.33Å; L393-N397 VanDerWaalsContact O-CG 3.31Å; L393-N397 PolarHBondContact O-N 2.84Å; L393-N397 PolarHBondContact O-ND2 3.4Å; L393-I762 HydrophobicContact CD1-CG2 4.43Å; L393-L765 HydrophobicContact CD1-CB 4.17Å; L393-R766 HydrophobicContact CD1-CB 4.43Å; L393-R766 HydrophobicContact CD1-CG 3.41Å; L393-R766 VanDerWaalsContact CD1-CG 3.41Å; L393-M769 HydrophobicContact CB-SD 4.23Å; L393-M769 HydrophobicContact CD1-SD 4.09Å
394	E	81.3	Confident	81.3	Confident	99 Å²	99	77.7 Å²	77.7	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-41.2	175.3	-162.6	-173.2	168.1	0	0	111.5	A390 Q391 E392 N397 R398	A390-E394 WeakPolarHBondContact O-CB 3.43Å; A390-E394 PolarHBondContact O-N 3.37Å; Q391-E394 PolarHBondContact O-N 3.44Å; E392-E394 VanDerWaalsContact C-N 3.32Å; E392-E394 PolarHBondContact O-N 3.02Å; E394-N397 PolarHBondContact O-N 3.4Å; E394-R398 VanDerWaalsContact O-CG 3.32Å; E394-R398 WeakPolarHBondContact O-CG 3.5Å; E394-R398 PolarHBondContact O-N 3.21Å; E394-R398 IonicContact OE1-CZ 3.43Å; E394-R398 IonicContact OE1-NE 3.71Å; E394-R398 PolarHBondContact OE1-NE 3.48Å; E394-R398 IonicContact OE1-NH2 3.75Å; E394-R398 PolarHBondContact OE1-NH2 3.08Å
395	K	85.6	Confident	81.7	Confident	134 Å²	134	75.4 Å²	75.4	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-60.3	-51.1	174.1	-177	-172.3	173.9	-169.5	0	111.4	Q391 E392 N397 R398 D399	Q391-K395 PolarHBondContact O-N 2.91Å; E392-K395 WeakPolarHBondContact O-CB 3.43Å; E392-K395 PolarHBondContact O-N 3.04Å; K395-N397 VanDerWaalsContact C-N 3.3Å; K395-N397 PolarHBondContact O-N 3.36Å; K395-R398 PolarHBondContact O-N 3.12Å; K395-R398 VanDerWaalsContact O-N 3.16Å; K395-D399 PolarHBondContact O-N 3.29Å
396	F	84.3	Confident	82.3	Confident	57 Å²	57	75.5 Å²	75.5	25%	0.25	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-35.4	178.5	-81.3	-76	0	0	0	112.5	E392 L393 D399 Q400 R758 E761 I762 L765	E392-F396 VanDerWaalsContact O-CD2 3.25Å; E392-F396 WeakPolarHBondContact O-CD2 3.37Å; E392-F396 PolarHBondContact O-N 3.11Å; L393-F396 PolarHBondContact O-N 3.33Å; F396-D399 PolarHBondContact O-N 3.13Å; F396-Q400 WeakPolarHBondContact O-CB 3.31Å; F396-Q400 PolarHBondContact O-N 3.17Å; F396-R758 HydrophobicContact CD1-CG 3.77Å; F396-R758 HydrophobicContact CE1-CG 4.48Å; F396-E761 WeakPolarHBondContact CE1-OE2 3.49Å; F396-I762 HydrophobicContact CB-CD1 4.34Å; F396-I762 HydrophobicContact CB-CG1 3.8Å; F396-L765 HydrophobicContact CD2-CD1 3.49Å; F396-L765 VanDerWaalsContact CD2-CD1 3.49Å; F396-L765 HydrophobicContact CE2-CD1 3.82Å; F396-L765 HydrophobicContact CG-CD1 4.32Å
397	N	81.6	Confident	82.8	Confident	54 Å²	54	75.8 Å²	75.8	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-68.4	-37.1	173.8	-78.6	-52.1	0	0	0	113	L393 E394 K395 Q400 K401	L393-N397 WeakPolarHBondContact CD2-ND2 3.46Å; L393-N397 WeakPolarHBondContact O-CB 3.33Å; L393-N397 VanDerWaalsContact O-CG 3.31Å; L393-N397 PolarHBondContact O-N 2.84Å; L393-N397 PolarHBondContact O-ND2 3.4Å; E394-N397 PolarHBondContact O-N 3.4Å; K395-N397 VanDerWaalsContact C-N 3.3Å; K395-N397 PolarHBondContact O-N 3.36Å; N397-Q400 WeakPolarHBondContact O-CB 3.47Å; N397-Q400 PolarHBondContact O-N 3.23Å; N397-K401 WeakPolarHBondContact O-CB 3.41Å; N397-K401 PolarHBondContact O-N 3.1Å
398	R	81.8	Confident	83.3	Confident	160 Å²	160	76.3 Å²	76.3	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-63.9	-43.6	173.7	-73.9	174.2	-173.7	-167.7	4	110.8	E394 K395 K401 A402	E394-R398 VanDerWaalsContact O-CG 3.32Å; E394-R398 WeakPolarHBondContact O-CG 3.5Å; E394-R398 PolarHBondContact O-N 3.21Å; E394-R398 IonicContact OE1-CZ 3.43Å; E394-R398 IonicContact OE1-NE 3.71Å; E394-R398 PolarHBondContact OE1-NE 3.48Å; E394-R398 IonicContact OE1-NH2 3.75Å; E394-R398 PolarHBondContact OE1-NH2 3.08Å; K395-R398 PolarHBondContact O-N 3.12Å; K395-R398 VanDerWaalsContact O-N 3.16Å; R398-K401 PolarHBondContact O-N 3.15Å; R398-A402 PolarHBondContact O-N 3.05Å
399	D	84.8	Confident	83.6	Confident	66 Å²	66	76 Å²	76	35%	0.353	37%	0.366	S	S	.	.	H	α-helix	trans	-67.9	-38.5	176.5	-62.4	-20.9	0	0	0	110.8	K395 F396 K401 A402 D403 R758	K395-D399 PolarHBondContact O-N 3.29Å; F396-D399 PolarHBondContact O-N 3.13Å; D399-K401 VanDerWaalsContact C-N 3.31Å; D399-K401 PolarHBondContact O-N 3.27Å; D399-A402 PolarHBondContact O-N 3.03Å; D399-D403 PolarHBondContact O-N 3.35Å; D399-R758 VanDerWaalsContact C-NH1 3.32Å; D399-R758 VanDerWaalsContact C-NH2 3.28Å; D399-R758 VanDerWaalsContact CB-NH1 3.26Å; D399-R758 PolarHBondContact O-NH1 3.2Å; D399-R758 PolarHBondContact O-NH2 3.43Å
400	Q	86.1	Confident	83.9	Confident	27 Å²	27	75.7 Å²	75.7	13%	0.126	36%	0.364	C	S	.	.	H	α-helix	trans	-52.5	-49.9	170.9	-162.3	79.3	2.4	0	0	110.9	F396 N397 D403 Q404 I755 R758 I762	F396-Q400 WeakPolarHBondContact O-CB 3.31Å; F396-Q400 PolarHBondContact O-N 3.17Å; N397-Q400 WeakPolarHBondContact O-CB 3.47Å; N397-Q400 PolarHBondContact O-N 3.23Å; Q400-D403 PolarHBondContact O-N 3.35Å; Q400-Q404 WeakPolarHBondContact O-CB 3.44Å; Q400-Q404 PolarHBondContact O-N 2.91Å; Q400-I755 PolarHBondContact NE2-O 2.95Å; Q400-I755 VanDerWaalsContact NE2-O 3.16Å; Q400-R758 VanDerWaalsContact N-CZ 3.26Å; Q400-I762 HydrophobicContact CB-CD1 3.94Å; Q400-I762 HydrophobicContact CG-CD1 4.03Å
401	K	84.8	Confident	84.4	Confident	141 Å²	141	77.5 Å²	77.5	61%	0.613	37%	0.366	S	S	*	.	H	α-helix	trans	-64.2	-41.2	178.4	-171.8	168.9	-177.2	171.5	0	112.3	N397 R398 D399 D403 Q404 D405	N397-K401 WeakPolarHBondContact O-CB 3.41Å; N397-K401 PolarHBondContact O-N 3.1Å; R398-K401 PolarHBondContact O-N 3.15Å; D399-K401 VanDerWaalsContact C-N 3.31Å; D399-K401 PolarHBondContact O-N 3.27Å; K401-D403 PolarHBondContact O-N 3.48Å; K401-Q404 PolarHBondContact O-N 2.85Å; K401-D405 VanDerWaalsContact O-CG 3.28Å; K401-D405 PolarHBondContact O-N 3.01Å
402	A	82.8	Confident	84.7	Confident	53 Å²	53	79.3 Å²	79.3	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-42.8	178	0	0	0	0	0	112.8	R398 D399 R406	R398-A402 PolarHBondContact O-N 3.05Å; D399-A402 PolarHBondContact O-N 3.03Å; A402-R406 WeakPolarHBondContact O-CB 3.48Å; A402-R406 PolarHBondContact O-N 2.89Å
403	D	86.6	Confident	84.9	Confident	25 Å²	25	78.6 Å²	78.6	13%	0.134	36%	0.362	C	S	.	.	H	α-helix	trans	-75.3	-26.7	175.5	-70.5	-49.4	0	0	0	112.9	D399 Q400 K401 R406 L407 I755 R758	D399-D403 PolarHBondContact O-N 3.35Å; Q400-D403 PolarHBondContact O-N 3.35Å; K401-D403 PolarHBondContact O-N 3.48Å; D403-R406 WeakPolarHBondContact O-CB 3.18Å; D403-R406 PolarHBondContact O-N 3.49Å; D403-L407 WeakPolarHBondContact O-CB 3.45Å; D403-L407 PolarHBondContact O-N 3.47Å; D403-I755 HydrophobicContact CB-CD1 4.43Å; D403-I755 HydrophobicContact CB-CG1 4.02Å; D403-R758 VanDerWaalsContact CB-NH2 3.27Å; D403-R758 IonicContact OD2-CZ 3.31Å; D403-R758 IonicContact OD2-NH1 3.57Å; D403-R758 PolarHBondContact OD2-NH1 2.79Å; D403-R758 IonicContact OD2-NH2 3Å; D403-R758 PolarHBondContact OD2-NH2 3.46Å
404	Q	84.9	Confident	85.2	Confident	75 Å²	75	80.8 Å²	80.8	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-66.1	-45.2	170.2	-173	62.2	47.5	0	0	111.1	Q400 K401 R406 L407 D408	Q400-Q404 WeakPolarHBondContact O-CB 3.44Å; Q400-Q404 PolarHBondContact O-N 2.91Å; K401-Q404 PolarHBondContact O-N 2.85Å; Q404-R406 PolarHBondContact O-N 3.25Å; Q404-L407 WeakPolarHBondContact O-CB 3.23Å; Q404-L407 PolarHBondContact O-N 3.13Å; Q404-L407 VanDerWaalsContact O-N 3.14Å; Q404-D408 PolarHBondContact NE2-OD1 3.34Å; Q404-D408 PolarHBondContact O-N 3.25Å
405	D	82.9	Confident	85.5	Confident	93 Å²	93	80.5 Å²	80.5	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-35.1	174.4	-69.1	-25	0	0	0	111	K401 L409	K401-D405 VanDerWaalsContact O-CG 3.28Å; K401-D405 PolarHBondContact O-N 3.01Å; D405-L409 WeakPolarHBondContact O-CB 3.32Å; D405-L409 PolarHBondContact O-N 3.44Å
406	R	86.8	Confident	85.5	Confident	136 Å²	136	79.1 Å²	79.1	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-40.4	173.8	-172	-177.6	175.4	-179.8	-0.6	112.4	A402 D403 Q404 L409 E410 I751	A402-R406 WeakPolarHBondContact O-CB 3.48Å; A402-R406 PolarHBondContact O-N 2.89Å; D403-R406 WeakPolarHBondContact O-CB 3.18Å; D403-R406 PolarHBondContact O-N 3.49Å; Q404-R406 PolarHBondContact O-N 3.25Å; R406-L409 PolarHBondContact O-N 2.93Å; R406-E410 PolarHBondContact O-N 3.07Å; R406-I751 HydrophobicContact CG-CD1 4.11Å
407	L	89.4	Confident	85.7	Confident	9 Å²	9	76.9 Å²	76.9	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-48.7	174.3	174.7	60.7	0	0	0	110.6	D403 Q404 L409 E410 E411 I748 I751 K752 I755	D403-L407 WeakPolarHBondContact O-CB 3.45Å; D403-L407 PolarHBondContact O-N 3.47Å; Q404-L407 WeakPolarHBondContact O-CB 3.23Å; Q404-L407 PolarHBondContact O-N 3.13Å; Q404-L407 VanDerWaalsContact O-N 3.14Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 PolarHBondContact O-N 2.97Å; L407-E410 PolarHBondContact O-N 3.4Å; L407-E411 HydrophobicContact CD1-CG 4.12Å; L407-E411 PolarHBondContact O-N 2.88Å; L407-I748 HydrophobicContact CD1-CB 4.39Å; L407-I748 HydrophobicContact CD1-CG1 4.38Å; L407-I748 HydrophobicContact CD1-CG2 3.77Å; L407-I751 HydrophobicContact CB-CG2 3.91Å; L407-K752 HydrophobicContact CD1-CG 4.2Å; L407-K752 HydrophobicContact CD2-CG 4Å; L407-I755 HydrophobicContact CB-CD1 4.22Å; L407-I755 HydrophobicContact CD2-CD1 3.93Å
408	D	84.9	Confident	86	Confident	54 Å²	54	77.6 Å²	77.6	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-38.8	178	-73.1	10	0	0	0	111.3	Q404 R412	Q404-D408 PolarHBondContact NE2-OD1 3.34Å; Q404-D408 PolarHBondContact O-N 3.25Å; D408-R412 WeakPolarHBondContact O-CB 3.41Å; D408-R412 WeakPolarHBondContact O-CG 3.49Å; D408-R412 PolarHBondContact O-N 3.36Å
409	L	85.3	Confident	86.2	Confident	89 Å²	89	72.6 Å²	72.6	47%	0.466	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-45.5	175.5	-179.2	64.3	0	0	0	112.2	D405 R406 L407 R412 K413	D405-L409 WeakPolarHBondContact O-CB 3.32Å; D405-L409 PolarHBondContact O-N 3.44Å; R406-L409 PolarHBondContact O-N 2.93Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 PolarHBondContact O-N 2.97Å; L409-R412 PolarHBondContact O-N 3.26Å; L409-K413 WeakPolarHBondContact O-CG 3.32Å; L409-K413 PolarHBondContact O-N 2.78Å
410	E	88	Confident	86.4	Confident	21 Å²	21	73.5 Å²	73.5	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-35.9	178.3	-70.1	-64.2	124.5	0	0	112	R406 L407 K413 K414 F744 I748 I751	R406-E410 PolarHBondContact O-N 3.07Å; L407-E410 PolarHBondContact O-N 3.4Å; E410-K413 PolarHBondContact O-N 3.25Å; E410-K413 IonicContact OE1-NZ 3.45Å; E410-K413 PolarHBondContact OE1-NZ 2.93Å; E410-K414 WeakPolarHBondContact O-CB 3.43Å; E410-K414 PolarHBondContact O-N 2.78Å; E410-F744 WeakPolarHBondContact OE2-CD1 3.38Å; E410-F744 WeakPolarHBondContact OE2-CE1 3.41Å; E410-I748 HydrophobicContact CB-CG1 4.25Å; E410-I751 HydrophobicContact CG-CD1 4.14Å
411	E	85.8	Confident	86.5	Confident	74 Å²	74	72.9 Å²	72.9	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-39.9	172.5	-74.4	-171.9	168.7	0	0	111.6	L407 K414 V415 I748 K752	L407-E411 HydrophobicContact CD1-CG 4.12Å; L407-E411 PolarHBondContact O-N 2.88Å; E411-K414 WeakPolarHBondContact O-CB 3.47Å; E411-K414 PolarHBondContact O-N 3.25Å; E411-V415 WeakPolarHBondContact O-CG2 3.46Å; E411-V415 PolarHBondContact O-N 3.41Å; E411-V415 VanDerWaalsContact O-N 3.07Å; E411-I748 HydrophobicContact CG-CD1 3.91Å; E411-I748 HydrophobicContact CG-CG1 4.29Å; E411-K752 IonicContact OE1-NZ 2.82Å; E411-K752 PolarHBondContact OE1-NZ 2.93Å
412	R	85.7	Confident	86.7	Confident	178 Å²	178	72.8 Å²	72.8	67%	0.672	36%	0.355	S	S	*	.	H	α-helix	trans	-61.4	-46	172.3	-76.1	173	-168	-172.9	7.5	112.2	D408 L409 K414 V415 E416	D408-R412 WeakPolarHBondContact O-CB 3.41Å; D408-R412 WeakPolarHBondContact O-CG 3.49Å; D408-R412 PolarHBondContact O-N 3.36Å; L409-R412 PolarHBondContact O-N 3.26Å; R412-K414 VanDerWaalsContact C-N 3.3Å; R412-K414 PolarHBondContact O-N 2.95Å; R412-V415 PolarHBondContact O-N 2.93Å; R412-E416 WeakPolarHBondContact O-CB 3.25Å; R412-E416 PolarHBondContact O-N 3.41Å
413	K	86	Confident	86.9	Confident	78 Å²	78	75.6 Å²	75.6	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-38	176.7	-73.7	176.2	-170.8	167.1	0	112.2	L409 E410 E416 T417 F744	L409-K413 WeakPolarHBondContact O-CG 3.32Å; L409-K413 PolarHBondContact O-N 2.78Å; E410-K413 PolarHBondContact O-N 3.25Å; E410-K413 IonicContact OE1-NZ 3.45Å; E410-K413 PolarHBondContact OE1-NZ 2.93Å; K413-E416 PolarHBondContact O-N 2.89Å; K413-T417 WeakPolarHBondContact O-CB 3.26Å; K413-T417 PolarHBondContact O-N 3.01Å; K413-T417 PolarHBondContact O-OG1 2.78Å; K413-F744 HydrophobicContact CB-CE1 3.86Å; K413-F744 HydrophobicContact CB-CZ 4.03Å; K413-F744 HydrophobicContact CD-CE1 4.33Å
414	K	90.3	Very high	87	Confident	73 Å²	73	76.2 Å²	76.2	32%	0.317	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-50.8	174.2	-176.1	-170.2	170.5	-168.5	0	111	E410 E411 R412 E416 T417 E418 L741 F744 I748	E410-K414 WeakPolarHBondContact O-CB 3.43Å; E410-K414 PolarHBondContact O-N 2.78Å; E411-K414 WeakPolarHBondContact O-CB 3.47Å; E411-K414 PolarHBondContact O-N 3.25Å; R412-K414 VanDerWaalsContact C-N 3.3Å; R412-K414 PolarHBondContact O-N 2.95Å; K414-E416 VanDerWaalsContact C-N 3.34Å; K414-E416 PolarHBondContact O-N 3.23Å; K414-T417 PolarHBondContact O-N 3.49Å; K414-E418 WeakPolarHBondContact CE-OE1 3.44Å; K414-E418 IonicContact NZ-OE1 2.63Å; K414-E418 WeakPolarHBondContact O-CG 3.49Å; K414-E418 PolarHBondContact O-N 3.26Å; K414-L741 HydrophobicContact CG-CD1 3.72Å; K414-F744 HydrophobicContact CB-CB 4.22Å; K414-F744 HydrophobicContact CB-CD2 4.45Å; K414-F744 HydrophobicContact CB-CG 4.26Å; K414-F744 HydrophobicContact CG-CB 4.25Å; K414-I748 HydrophobicContact CD-CD1 4.01Å
415	V	87.7	Confident	87.3	Confident	94 Å²	94	75.3 Å²	75.3	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-62	-40.7	178.7	173.8	0	0	0	0	111.6	E411 R412 T417 E418 A419	E411-V415 WeakPolarHBondContact O-CG2 3.46Å; E411-V415 PolarHBondContact O-N 3.41Å; E411-V415 VanDerWaalsContact O-N 3.07Å; R412-V415 PolarHBondContact O-N 2.93Å; V415-T417 VanDerWaalsContact C-N 3.34Å; V415-T417 PolarHBondContact O-N 3.07Å; V415-E418 PolarHBondContact O-N 2.71Å; V415-A419 WeakPolarHBondContact O-CB 3.41Å; V415-A419 PolarHBondContact O-N 3.36Å
416	E	85	Confident	87.5	Confident	105 Å²	105	79.2 Å²	79.2	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.2	-163.9	-167.5	149.1	0	0	111.8	R412 K413 K414 A419 K420	R412-E416 WeakPolarHBondContact O-CB 3.25Å; R412-E416 PolarHBondContact O-N 3.41Å; K413-E416 PolarHBondContact O-N 2.89Å; K414-E416 VanDerWaalsContact C-N 3.34Å; K414-E416 PolarHBondContact O-N 3.23Å; E416-A419 PolarHBondContact O-N 3.39Å; E416-K420 WeakPolarHBondContact O-CG 3.25Å; E416-K420 PolarHBondContact O-N 3.02Å; E416-K420 VanDerWaalsContact OE1-CE 3.23Å; E416-K420 WeakPolarHBondContact OE1-CE 3.42Å; E416-K420 IonicContact OE1-NZ 2.78Å; E416-K420 PolarHBondContact OE1-NZ 2.89Å
417	T	88.4	Confident	87.5	Confident	9 Å²	9	75 Å²	75	6%	0.055	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-41.5	177	-54.3	0	0	0	0	111.4	K413 K414 V415 A419 K420 I421 L737 F744	K413-T417 WeakPolarHBondContact O-CB 3.26Å; K413-T417 PolarHBondContact O-N 3.01Å; K413-T417 PolarHBondContact O-OG1 2.78Å; K414-T417 PolarHBondContact O-N 3.49Å; V415-T417 VanDerWaalsContact C-N 3.34Å; V415-T417 PolarHBondContact O-N 3.07Å; T417-A419 VanDerWaalsContact C-N 3.32Å; T417-A419 PolarHBondContact O-N 3.24Å; T417-K420 PolarHBondContact O-N 3.46Å; T417-I421 HydrophobicContact CG2-CD1 4.38Å; T417-I421 WeakPolarHBondContact O-CG1 3.47Å; T417-I421 PolarHBondContact O-N 2.82Å; T417-L737 HydrophobicContact CG2-CB 4.46Å; T417-L737 HydrophobicContact CG2-CD2 4.26Å; T417-F744 HydrophobicContact CG2-CE2 4.46Å
418	E	87.9	Confident	87.5	Confident	69 Å²	69	75.3 Å²	75.3	32%	0.322	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-39	173.2	-72.6	177	179.9	0	0	112.3	K414 V415 I421 K422 L741	K414-E418 WeakPolarHBondContact CE-OE1 3.44Å; K414-E418 IonicContact NZ-OE1 2.63Å; K414-E418 WeakPolarHBondContact O-CG 3.49Å; K414-E418 PolarHBondContact O-N 3.26Å; V415-E418 PolarHBondContact O-N 2.71Å; E418-I421 PolarHBondContact O-N 3.28Å; E418-K422 PolarHBondContact O-N 3.26Å; E418-L741 HydrophobicContact CG-CD1 3.58Å; E418-L741 HydrophobicContact CG-CD2 3.92Å; E418-L741 HydrophobicContact CG-CG 4.42Å
419	A	86.3	Confident	87.8	Confident	55 Å²	55	77.3 Å²	77.3	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-64.5	-42.5	174.8	0	0	0	0	0	111.8	V415 E416 T417 I421 K422 Q423	V415-A419 WeakPolarHBondContact O-CB 3.41Å; V415-A419 PolarHBondContact O-N 3.36Å; E416-A419 PolarHBondContact O-N 3.39Å; T417-A419 VanDerWaalsContact C-N 3.32Å; T417-A419 PolarHBondContact O-N 3.24Å; A419-I421 PolarHBondContact O-N 2.85Å; A419-K422 PolarHBondContact O-N 3.07Å; A419-Q423 PolarHBondContact O-N 2.97Å
420	K	87.9	Confident	87.9	Confident	86 Å²	86	79.5 Å²	79.5	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-40.9	174.3	-71.8	171.1	-174.7	166.4	0	111.9	E416 T417 Q423 K424 L737	E416-K420 WeakPolarHBondContact O-CG 3.25Å; E416-K420 PolarHBondContact O-N 3.02Å; E416-K420 VanDerWaalsContact OE1-CE 3.23Å; E416-K420 WeakPolarHBondContact OE1-CE 3.42Å; E416-K420 IonicContact OE1-NZ 2.78Å; E416-K420 PolarHBondContact OE1-NZ 2.89Å; T417-K420 PolarHBondContact O-N 3.46Å; K420-Q423 PolarHBondContact O-N 3.49Å; K420-K424 WeakPolarHBondContact O-CG 3.3Å; K420-K424 PolarHBondContact O-N 2.83Å; K420-L737 HydrophobicContact CB-CD1 4.08Å
421	I	89.2	Confident	87.9	Confident	14 Å²	14	79.9 Å²	79.9	7%	0.072	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-47.1	174.7	-67.9	165	0	0	0	110.8	T417 E418 A419 Q423 K424 I425 K734 L737 E738 L741	T417-I421 HydrophobicContact CG2-CD1 4.38Å; T417-I421 WeakPolarHBondContact O-CG1 3.47Å; T417-I421 PolarHBondContact O-N 2.82Å; E418-I421 PolarHBondContact O-N 3.28Å; A419-I421 PolarHBondContact O-N 2.85Å; I421-Q423 VanDerWaalsContact C-N 3.29Å; I421-Q423 PolarHBondContact O-N 3.14Å; I421-K424 PolarHBondContact O-N 3.33Å; I421-K424 VanDerWaalsContact O-N 3.17Å; I421-I425 HydrophobicContact CG2-CD1 3.95Å; I421-I425 HydrophobicContact CG2-CG1 4.5Å; I421-I425 WeakPolarHBondContact O-CG1 3.27Å; I421-I425 PolarHBondContact O-N 3.23Å; I421-K734 HydrophobicContact CG2-CG 4.49Å; I421-L737 HydrophobicContact CD1-CB 4.07Å; I421-L737 HydrophobicContact CG1-CB 3.57Å; I421-L737 HydrophobicContact CG1-CD1 4.34Å; I421-E738 HydrophobicContact CD1-CG 4.06Å; I421-E738 HydrophobicContact CG2-CG 4.42Å; I421-L741 HydrophobicContact CD1-CB 4.19Å; I421-L741 HydrophobicContact CD1-CD2 3.9Å
422	K	89.4	Confident	88.1	Confident	139 Å²	139	80.7 Å²	80.7	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-59.1	-40.1	176.6	-78.3	-179.5	-178.8	173.8	0	112.2	E418 A419 I425 R426	E418-K422 PolarHBondContact O-N 3.26Å; A419-K422 PolarHBondContact O-N 3.07Å; K422-I425 PolarHBondContact O-N 3.41Å; K422-R426 PolarHBondContact O-N 3.47Å
423	Q	87.3	Confident	88.2	Confident	111 Å²	111	78.2 Å²	78.2	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-47.9	174.5	-177.9	-176.8	-14.3	0	0	111.3	A419 K420 I421 I425 R426 E427	A419-Q423 PolarHBondContact O-N 2.97Å; K420-Q423 PolarHBondContact O-N 3.49Å; I421-Q423 VanDerWaalsContact C-N 3.29Å; I421-Q423 PolarHBondContact O-N 3.14Å; Q423-I425 VanDerWaalsContact C-N 3.3Å; Q423-I425 PolarHBondContact O-N 3.3Å; Q423-R426 WeakPolarHBondContact O-CB 3.39Å; Q423-R426 PolarHBondContact O-N 2.92Å; Q423-R426 VanDerWaalsContact O-N 3.11Å; Q423-E427 PolarHBondContact NE2-OE1 3.49Å; Q423-E427 VanDerWaalsContact NE2-OE1 3.09Å; Q423-E427 PolarHBondContact O-N 3.31Å
424	K	88.8	Confident	88.4	Confident	38 Å²	38	80.2 Å²	80.2	17%	0.165	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-35.7	179.3	-70.6	-73.9	159.4	-172.3	0	113	K420 I421 E427 I428 E733 K734 L737	K420-K424 WeakPolarHBondContact O-CG 3.3Å; K420-K424 PolarHBondContact O-N 2.83Å; I421-K424 PolarHBondContact O-N 3.33Å; I421-K424 VanDerWaalsContact O-N 3.17Å; K424-E427 WeakPolarHBondContact CD-OE2 3.49Å; K424-E427 WeakPolarHBondContact CE-OE2 3.23Å; K424-E427 IonicContact NZ-OE2 2.87Å; K424-E427 PolarHBondContact NZ-OE2 2.84Å; K424-E427 PolarHBondContact O-N 3.42Å; K424-I428 VanDerWaalsContact O-CG1 3.27Å; K424-I428 WeakPolarHBondContact O-CG1 3.36Å; K424-I428 PolarHBondContact O-N 3.07Å; K424-E733 HydrophobicContact CD-CB 4.47Å; K424-E733 VanDerWaalsContact CE-OE2 3.22Å; K424-E733 WeakPolarHBondContact CE-OE2 3.44Å; K424-E733 IonicContact NZ-OE2 3.69Å; K424-E733 PolarHBondContact NZ-OE2 3.12Å; K424-K734 HydrophobicContact CB-CB 4.4Å; K424-L737 HydrophobicContact CG-CD1 4.27Å
425	I	89.6	Confident	88.3	Confident	57 Å²	57	77.4 Å²	77.4	29%	0.292	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-44.2	173.6	-69.8	168.4	0	0	0	111.1	I421 K422 Q423 E427 I428 E429 K734	I421-I425 HydrophobicContact CG2-CD1 3.95Å; I421-I425 HydrophobicContact CG2-CG1 4.5Å; I421-I425 WeakPolarHBondContact O-CG1 3.27Å; I421-I425 PolarHBondContact O-N 3.23Å; K422-I425 PolarHBondContact O-N 3.41Å; Q423-I425 VanDerWaalsContact C-N 3.3Å; Q423-I425 PolarHBondContact O-N 3.3Å; I425-E427 PolarHBondContact O-N 3.32Å; I425-I428 WeakPolarHBondContact O-CB 3.4Å; I425-I428 PolarHBondContact O-N 3.48Å; I425-E429 PolarHBondContact O-N 3.28Å; I425-K734 HydrophobicContact CG1-CD 3.93Å
426	R	88.5	Confident	88.4	Confident	174 Å²	174	78.7 Å²	78.7	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-62.5	-43.7	176.1	-67.5	179	-174.7	176.4	2.7	112.1	K422 Q423 I428 E429 E430	K422-R426 PolarHBondContact O-N 3.47Å; Q423-R426 WeakPolarHBondContact O-CB 3.39Å; Q423-R426 PolarHBondContact O-N 2.92Å; Q423-R426 VanDerWaalsContact O-N 3.11Å; R426-I428 VanDerWaalsContact C-N 3.27Å; R426-I428 PolarHBondContact O-N 2.89Å; R426-E429 PolarHBondContact O-N 3.23Å; R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 3.42Å
427	E	86.3	Confident	88.7	Confident	49 Å²	49	81 Å²	81	23%	0.229	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-36.3	176.4	-67.6	173.2	-169.1	0	0	111.9	Q423 K424 I425 N431	Q423-E427 PolarHBondContact NE2-OE1 3.49Å; Q423-E427 VanDerWaalsContact NE2-OE1 3.09Å; Q423-E427 PolarHBondContact O-N 3.31Å; K424-E427 WeakPolarHBondContact CD-OE2 3.49Å; K424-E427 WeakPolarHBondContact CE-OE2 3.23Å; K424-E427 IonicContact NZ-OE2 2.87Å; K424-E427 PolarHBondContact NZ-OE2 2.84Å; K424-E427 PolarHBondContact O-N 3.42Å; I425-E427 PolarHBondContact O-N 3.32Å; E427-N431 WeakPolarHBondContact O-CB 2.99Å; E427-N431 VanDerWaalsContact O-CG 3.25Å; E427-N431 PolarHBondContact O-N 3.05Å; E427-N431 VanDerWaalsContact O-N 3.09Å; E427-N431 PolarHBondContact O-ND2 3.13Å; E427-N431 VanDerWaalsContact O-ND2 3.16Å
428	I	90.1	Very high	88.7	Confident	15 Å²	15	81.8 Å²	81.8	8%	0.077	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-47.3	174.4	-72.6	166.2	0	0	0	111	K424 I425 R426 E430 N431 Q432 L727 N730 M731 K734	K424-I428 VanDerWaalsContact O-CG1 3.27Å; K424-I428 WeakPolarHBondContact O-CG1 3.36Å; K424-I428 PolarHBondContact O-N 3.07Å; I425-I428 WeakPolarHBondContact O-CB 3.4Å; I425-I428 PolarHBondContact O-N 3.48Å; R426-I428 VanDerWaalsContact C-N 3.27Å; R426-I428 PolarHBondContact O-N 2.89Å; I428-E430 VanDerWaalsContact C-N 3.35Å; I428-E430 PolarHBondContact O-N 2.94Å; I428-N431 PolarHBondContact O-N 3.18Å; I428-Q432 WeakPolarHBondContact O-CG 3.4Å; I428-Q432 PolarHBondContact O-N 3.22Å; I428-L727 HydrophobicContact CB-CD1 4.44Å; I428-L727 HydrophobicContact CG2-CD1 3.86Å; I428-N730 HydrophobicContact CD1-CB 4.34Å; I428-N730 HydrophobicContact CG1-CB 3.76Å; I428-M731 HydrophobicContact CD1-CG 4Å; I428-M731 HydrophobicContact CG1-CG 4.46Å; I428-M731 HydrophobicContact CG2-CE 4.3Å; I428-K734 HydrophobicContact CD1-CB 4.35Å; I428-K734 HydrophobicContact CD1-CD 4.02Å
429	E	90	Very high	88.8	Confident	96 Å²	96	82.3 Å²	82.3	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-39.8	178.5	-73.5	177.8	-175.1	0	0	112.5	I425 R426 Q432 K433	I425-E429 PolarHBondContact O-N 3.28Å; R426-E429 PolarHBondContact O-N 3.23Å; E429-Q432 PolarHBondContact O-N 2.84Å; E429-K433 WeakPolarHBondContact O-CG 3.21Å; E429-K433 PolarHBondContact O-N 2.82Å
430	E	87.6	Confident	88.9	Confident	134 Å²	134	84.7 Å²	84.7	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-64.9	-44.1	175.7	-74.9	-177.9	174.2	0	0	111.8	R426 I428 Q432 K433 R434	R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 3.42Å; I428-E430 VanDerWaalsContact C-N 3.35Å; I428-E430 PolarHBondContact O-N 2.94Å; E430-Q432 VanDerWaalsContact C-N 3.33Å; E430-Q432 PolarHBondContact O-N 2.9Å; E430-K433 PolarHBondContact O-N 2.85Å; E430-R434 WeakPolarHBondContact O-CB 3.5Å; E430-R434 PolarHBondContact O-N 2.94Å
431	N	88.4	Confident	89	Confident	30 Å²	30	85.2 Å²	85.2	16%	0.16	38%	0.382	C	S	.	.	H	α-helix	trans	-64	-37.6	175.9	-75.2	-27.8	0	0	0	111.9	E427 I428 R434 I435 T722 L727 N730	E427-N431 WeakPolarHBondContact O-CB 2.99Å; E427-N431 VanDerWaalsContact O-CG 3.25Å; E427-N431 PolarHBondContact O-N 3.05Å; E427-N431 VanDerWaalsContact O-N 3.09Å; E427-N431 PolarHBondContact O-ND2 3.13Å; E427-N431 VanDerWaalsContact O-ND2 3.16Å; I428-N431 PolarHBondContact O-N 3.18Å; N431-R434 PolarHBondContact O-N 3.42Å; N431-I435 VanDerWaalsContact O-CG1 3.29Å; N431-I435 WeakPolarHBondContact O-CG1 3.23Å; N431-I435 PolarHBondContact O-N 2.73Å; N431-T722 HydrophobicContact CB-CG2 4.44Å; N431-L727 HydrophobicContact CB-CD1 4.33Å; N431-N730 PolarHBondContact ND2-ND2 2.88Å
432	Q	89	Confident	89.1	Confident	90 Å²	90	85.2 Å²	85.2	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-46	174.2	-77.5	168.5	-26.7	0	0	112.2	I428 E429 E430 R434 I435 E436 L727	I428-Q432 WeakPolarHBondContact O-CG 3.4Å; I428-Q432 PolarHBondContact O-N 3.22Å; E429-Q432 PolarHBondContact O-N 2.84Å; E430-Q432 VanDerWaalsContact C-N 3.33Å; E430-Q432 PolarHBondContact O-N 2.9Å; Q432-R434 VanDerWaalsContact C-N 3.26Å; Q432-R434 PolarHBondContact O-N 3.41Å; Q432-I435 WeakPolarHBondContact O-CB 3.34Å; Q432-I435 PolarHBondContact O-N 2.74Å; Q432-E436 PolarHBondContact O-N 2.91Å; Q432-L727 HydrophobicContact CG-CD1 4.02Å
433	K	88.9	Confident	89.1	Confident	127 Å²	127	81.4 Å²	81.4	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-62.7	-33.3	174.8	-74.5	173	-178.8	164.8	0	112.7	E429 E430 K437	E429-K433 WeakPolarHBondContact O-CG 3.21Å; E429-K433 PolarHBondContact O-N 2.82Å; E430-K433 PolarHBondContact O-N 2.85Å; K433-K437 WeakPolarHBondContact O-CG 3.33Å; K433-K437 PolarHBondContact O-N 3.45Å
434	R	88.9	Confident	89.3	Confident	119 Å²	119	79.8 Å²	79.8	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-68.7	-42.5	175.1	-179.3	175.4	175.4	165.7	-4	111.4	E430 N431 Q432 K437 L438 D718	E430-R434 WeakPolarHBondContact O-CB 3.5Å; E430-R434 PolarHBondContact O-N 2.94Å; N431-R434 PolarHBondContact O-N 3.42Å; Q432-R434 VanDerWaalsContact C-N 3.26Å; Q432-R434 PolarHBondContact O-N 3.41Å; R434-K437 PolarHBondContact O-N 3.3Å; R434-L438 HydrophobicContact CG-CD1 4.02Å; R434-L438 HydrophobicContact CG-CG 4.47Å; R434-L438 WeakPolarHBondContact O-CB 3.4Å; R434-L438 WeakPolarHBondContact O-CG 3.48Å; R434-L438 PolarHBondContact O-N 2.85Å; R434-D718 IonicContact CZ-OD2 2.74Å; R434-D718 IonicContact NE-OD2 2.79Å; R434-D718 IonicContact NH2-OD1 3.32Å; R434-D718 PolarHBondContact NH2-OD1 2.94Å; R434-D718 IonicContact NH2-OD2 3.68Å; R434-D718 PolarHBondContact NH2-OD2 3.34Å
435	I	90	Very high	89.3	Confident	15 Å²	15	78.5 Å²	78.5	8%	0.077	37%	0.37	C	S	.	.	H	α-helix	trans	-56.9	-50.9	175	-76.4	165.3	0	0	0	110.3	N431 Q432 K437 L438 E439 L719 T722 K723 L727	N431-I435 VanDerWaalsContact O-CG1 3.29Å; N431-I435 WeakPolarHBondContact O-CG1 3.23Å; N431-I435 PolarHBondContact O-N 2.73Å; Q432-I435 WeakPolarHBondContact O-CB 3.34Å; Q432-I435 PolarHBondContact O-N 2.74Å; I435-K437 PolarHBondContact O-N 3.28Å; I435-L438 PolarHBondContact O-N 3.43Å; I435-L438 VanDerWaalsContact O-N 3.11Å; I435-E439 HydrophobicContact CG2-CG 4.38Å; I435-E439 WeakPolarHBondContact O-CG 3.48Å; I435-E439 PolarHBondContact O-N 2.78Å; I435-L719 HydrophobicContact CB-CD1 4.15Å; I435-L719 HydrophobicContact CG1-CD1 4.1Å; I435-L719 HydrophobicContact CG2-CD1 3.84Å; I435-T722 HydrophobicContact CD1-CG2 4.26Å; I435-T722 HydrophobicContact CG1-CG2 3.89Å; I435-K723 HydrophobicContact CD1-CB 4.08Å; I435-K723 HydrophobicContact CD1-CG 4.31Å; I435-L727 HydrophobicContact CD1-CD2 3.91Å
436	E	89.8	Confident	89.4	Confident	121 Å²	121	82.6 Å²	82.6	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-56.4	-47.6	179.7	-171.1	178.8	-166.1	0	0	111.8	Q432 L438 E439 D440	Q432-E436 PolarHBondContact O-N 2.91Å; E436-L438 PolarHBondContact O-N 2.68Å; E436-E439 PolarHBondContact O-N 3.47Å; E436-D440 PolarHBondContact O-N 3.07Å
437	K	89.7	Confident	89.5	Confident	154 Å²	154	80.1 Å²	80.1	67%	0.67	38%	0.378	S	S	*	.	H	α-helix	trans	-63.6	-37.7	176.6	-72.1	177.5	-179.2	178.4	0	113.7	K433 R434 I435 Y441	K433-K437 WeakPolarHBondContact O-CG 3.33Å; K433-K437 PolarHBondContact O-N 3.45Å; R434-K437 PolarHBondContact O-N 3.3Å; I435-K437 PolarHBondContact O-N 3.28Å; K437-Y441 WeakPolarHBondContact O-CB 3.33Å; K437-Y441 PolarHBondContact O-N 3.31Å
438	L	88.4	Confident	89.6	Confident	25 Å²	25	80.2 Å²	80.2	13%	0.131	38%	0.384	C	S	.	.	H	α-helix	trans	-69.7	-38.9	176.9	-77.4	172.1	0	0	0	110.8	R434 I435 E436 Y441 I442 L719	R434-L438 HydrophobicContact CG-CD1 4.02Å; R434-L438 HydrophobicContact CG-CG 4.47Å; R434-L438 WeakPolarHBondContact O-CB 3.4Å; R434-L438 WeakPolarHBondContact O-CG 3.48Å; R434-L438 PolarHBondContact O-N 2.85Å; I435-L438 PolarHBondContact O-N 3.43Å; I435-L438 VanDerWaalsContact O-N 3.11Å; E436-L438 PolarHBondContact O-N 2.68Å; L438-Y441 PolarHBondContact O-N 2.96Å; L438-I442 WeakPolarHBondContact O-CB 3.4Å; L438-I442 WeakPolarHBondContact O-CD1 3.29Å; L438-I442 WeakPolarHBondContact O-CG1 3.42Å; L438-I442 PolarHBondContact O-N 2.98Å; L438-L719 HydrophobicContact CB-CB 4.37Å; L438-L719 HydrophobicContact CB-CD1 4.12Å; L438-L719 HydrophobicContact CD1-CB 4.43Å
439	E	90.1	Very high	89.7	Confident	80 Å²	80	80 Å²	80	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-45.8	175	-74.1	175.4	164.8	0	0	111	I435 E436 Y441 I442 A443 L719 K723	I435-E439 HydrophobicContact CG2-CG 4.38Å; I435-E439 WeakPolarHBondContact O-CG 3.48Å; I435-E439 PolarHBondContact O-N 2.78Å; E436-E439 PolarHBondContact O-N 3.47Å; E439-Y441 PolarHBondContact O-N 2.81Å; E439-I442 PolarHBondContact O-N 3.12Å; E439-A443 WeakPolarHBondContact O-CB 3.33Å; E439-A443 PolarHBondContact O-N 3.39Å; E439-L719 HydrophobicContact CG-CD1 3.83Å; E439-L719 HydrophobicContact CG-CD2 3.64Å; E439-L719 HydrophobicContact CG-CG 4.42Å; E439-K723 IonicContact OE1-NZ 3.98Å
440	D	89.8	Confident	89.7	Confident	104 Å²	104	80.1 Å²	80.1	56%	0.556	39%	0.387	S	S	*	.	H	α-helix	trans	-60.9	-44.4	174.4	-75	-16.8	0	0	0	112.5	E436 A443 T444	E436-D440 PolarHBondContact O-N 3.07Å; D440-A443 PolarHBondContact O-N 3.18Å; D440-T444 WeakPolarHBondContact O-CG2 3.44Å; D440-T444 PolarHBondContact O-N 3.42Å; D440-T444 PolarHBondContact O-OG1 2.97Å
441	Y	88.5	Confident	89.8	Confident	97 Å²	97	77.8 Å²	77.8	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-39.2	178.6	-178.7	-103.5	0	0	0	112.2	K437 L438 E439 T444 S445 S715	K437-Y441 WeakPolarHBondContact O-CB 3.33Å; K437-Y441 PolarHBondContact O-N 3.31Å; L438-Y441 PolarHBondContact O-N 2.96Å; E439-Y441 PolarHBondContact O-N 2.81Å; Y441-T444 WeakPolarHBondContact CA-OG1 3.4Å; Y441-T444 PolarHBondContact O-OG1 3.27Å; Y441-S445 WeakPolarHBondContact O-CB 3.47Å; Y441-S445 PolarHBondContact O-N 2.73Å; Y441-S445 PolarHBondContact O-OG 3.2Å; Y441-S715 WeakPolarHBondContact CE1-OG 3.5Å
442	I	91.7	Very high	89.9	Confident	14 Å²	14	78.2 Å²	78.2	7%	0.072	38%	0.377	C	S	.	.	H	α-helix	trans	-66	-44.3	175.6	-72	161.9	0	0	0	109.8	L438 E439 S445 R446 Q716 L719	L438-I442 WeakPolarHBondContact O-CB 3.4Å; L438-I442 WeakPolarHBondContact O-CD1 3.29Å; L438-I442 WeakPolarHBondContact O-CG1 3.42Å; L438-I442 PolarHBondContact O-N 2.98Å; E439-I442 PolarHBondContact O-N 3.12Å; I442-S445 PolarHBondContact O-N 3.43Å; I442-R446 VanDerWaalsContact O-CB 3.23Å; I442-R446 WeakPolarHBondContact O-CB 3.38Å; I442-R446 PolarHBondContact O-N 3.01Å; I442-Q716 HydrophobicContact CD1-CG 4.02Å; I442-Q716 HydrophobicContact CG1-CG 4.36Å; I442-Q716 HydrophobicContact CG2-CG 4.16Å; I442-L719 HydrophobicContact CD1-CB 3.96Å; I442-L719 HydrophobicContact CD1-CD2 3.64Å; I442-L719 HydrophobicContact CD1-CG 4.41Å
443	A	90.7	Very high	89.9	Confident	59 Å²	59	77.6 Å²	77.6	49%	0.488	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-50.4	179.4	0	0	0	0	0	111.9	E439 D440 R446 Q447	E439-A443 WeakPolarHBondContact O-CB 3.33Å; E439-A443 PolarHBondContact O-N 3.39Å; D440-A443 PolarHBondContact O-N 3.18Å; A443-R446 PolarHBondContact O-N 3.01Å; A443-Q447 PolarHBondContact O-N 3.03Å; A443-Q447 VanDerWaalsContact O-N 3.09Å
444	T	90.1	Very high	90.1	Very high	78 Å²	78	78.5 Å²	78.5	48%	0.479	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-45.1	177.5	48.7	0	0	0	0	112.2	D440 Y441 R446 Q447 S448	D440-T444 WeakPolarHBondContact O-CG2 3.44Å; D440-T444 PolarHBondContact O-N 3.42Å; D440-T444 PolarHBondContact O-OG1 2.97Å; Y441-T444 WeakPolarHBondContact CA-OG1 3.4Å; Y441-T444 PolarHBondContact O-OG1 3.27Å; T444-R446 VanDerWaalsContact C-N 3.29Å; T444-R446 PolarHBondContact O-N 2.98Å; T444-Q447 PolarHBondContact O-N 3.09Å; T444-S448 PolarHBondContact O-N 3.43Å; T444-S448 PolarHBondContact O-OG 3.25Å
445	S	88.4	Confident	90	Very high	11 Å²	11	76.3 Å²	76.3	8%	0.077	37%	0.368	C	S	.	.	H	α-helix	trans	-65.9	-31.2	178.1	-60.7	0	0	0	0	112.7	Y441 I442 L449	Y441-S445 WeakPolarHBondContact O-CB 3.47Å; Y441-S445 PolarHBondContact O-N 2.73Å; Y441-S445 PolarHBondContact O-OG 3.2Å; I442-S445 PolarHBondContact O-N 3.43Å; S445-L449 WeakPolarHBondContact O-CB 3.12Å; S445-L449 PolarHBondContact O-N 3.11Å
446	R	91.8	Very high	90	Very high	142 Å²	142	78 Å²	78	54%	0.536	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-44	176.7	-155.2	176	-165.2	167.5	2.7	111	I442 A443 T444 L449 D450 L712	I442-R446 VanDerWaalsContact O-CB 3.23Å; I442-R446 WeakPolarHBondContact O-CB 3.38Å; I442-R446 PolarHBondContact O-N 3.01Å; A443-R446 PolarHBondContact O-N 3.01Å; T444-R446 VanDerWaalsContact C-N 3.29Å; T444-R446 PolarHBondContact O-N 2.98Å; R446-L449 WeakPolarHBondContact O-CB 3.31Å; R446-L449 PolarHBondContact O-N 3.47Å; R446-D450 PolarHBondContact O-N 3.25Å; R446-L712 VanDerWaalsContact CA-CD1 3.44Å; R446-L712 HydrophobicContact CB-CD1 3.78Å; R446-L712 HydrophobicContact CG-CD1 4.16Å; R446-L712 VanDerWaalsContact N-CD1 3.32Å
447	Q	90.9	Very high	90.1	Very high	123 Å²	123	78.4 Å²	78.4	58%	0.575	38%	0.378	S	S	*	.	H	α-helix	trans	-60.3	-46.6	174.9	-174.5	179.9	-4	0	0	111.4	A443 T444 L449 D450 E451	A443-Q447 PolarHBondContact O-N 3.03Å; A443-Q447 VanDerWaalsContact O-N 3.09Å; T444-Q447 PolarHBondContact O-N 3.09Å; Q447-L449 VanDerWaalsContact C-N 3.3Å; Q447-L449 PolarHBondContact O-N 3.35Å; Q447-D450 PolarHBondContact O-N 2.97Å; Q447-E451 PolarHBondContact O-N 3.37Å
448	S	88.9	Confident	90.1	Very high	51 Å²	51	76.1 Å²	76.1	36%	0.357	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-35.2	175.9	-60.2	0	0	0	0	112.8	T444 Q452	T444-S448 PolarHBondContact O-N 3.43Å; T444-S448 PolarHBondContact O-OG 3.25Å; S448-Q452 WeakPolarHBondContact O-CB 3.49Å; S448-Q452 VanDerWaalsContact O-CG 3.22Å; S448-Q452 WeakPolarHBondContact O-CG 3.44Å; S448-Q452 PolarHBondContact O-N 3.15Å; S448-Q452 VanDerWaalsContact O-N 3.07Å
449	L	92.1	Very high	90.1	Very high	11 Å²	11	76 Å²	76	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-66	-42.6	175.7	179.6	63	0	0	0	111.7	S445 R446 Q447 Q452 K453 A705 L708 Q709	S445-L449 WeakPolarHBondContact O-CB 3.12Å; S445-L449 PolarHBondContact O-N 3.11Å; R446-L449 WeakPolarHBondContact O-CB 3.31Å; R446-L449 PolarHBondContact O-N 3.47Å; Q447-L449 VanDerWaalsContact C-N 3.3Å; Q447-L449 PolarHBondContact O-N 3.35Å; L449-Q452 PolarHBondContact O-N 3.5Å; L449-K453 HydrophobicContact CD1-CG 4.36Å; L449-K453 HydrophobicContact CG-CD 4.42Å; L449-K453 WeakPolarHBondContact O-CB 3.44Å; L449-K453 WeakPolarHBondContact O-CG 3.48Å; L449-K453 PolarHBondContact O-N 2.77Å; L449-A705 HydrophobicContact CD1-CB 4.24Å; L449-A705 WeakPolarHBondContact CD1-O 3.36Å; L449-L708 HydrophobicContact CB-CB 4.5Å; L449-L708 HydrophobicContact CD1-CB 4Å; L449-Q709 HydrophobicContact CD1-CB 4.12Å; L449-Q709 HydrophobicContact CD2-CB 4.09Å; L449-Q709 HydrophobicContact CD2-CG 4.33Å
450	D	90.8	Very high	90.1	Very high	98 Å²	98	74.1 Å²	74.1	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-40.3	178.1	-76	-10.6	0	0	0	111.5	R446 Q447 Q452 K453 R454	R446-D450 PolarHBondContact O-N 3.25Å; Q447-D450 PolarHBondContact O-N 2.97Å; D450-Q452 PolarHBondContact O-N 3.46Å; D450-K453 PolarHBondContact O-N 2.91Å; D450-R454 WeakPolarHBondContact O-CB 3.5Å; D450-R454 PolarHBondContact O-N 3.01Å
451	E	89.8	Confident	90.1	Very high	85 Å²	85	75.5 Å²	75.5	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-43.5	173.2	-75.3	174.2	-176.1	0	0	112.3	Q447 R454 M455	Q447-E451 PolarHBondContact O-N 3.37Å; E451-R454 PolarHBondContact O-N 3.04Å; E451-M455 PolarHBondContact O-N 3.06Å; E451-M455 VanDerWaalsContact O-N 3.11Å
452	Q	89.9	Confident	90.1	Very high	38 Å²	38	74.2 Å²	74.2	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-68.8	-38.7	178.4	-69.7	-63.7	-34.8	0	0	112.2	S448 L449 D450 M455 E456 V701 A705 L708	S448-Q452 WeakPolarHBondContact O-CB 3.49Å; S448-Q452 VanDerWaalsContact O-CG 3.22Å; S448-Q452 WeakPolarHBondContact O-CG 3.44Å; S448-Q452 PolarHBondContact O-N 3.15Å; S448-Q452 VanDerWaalsContact O-N 3.07Å; L449-Q452 PolarHBondContact O-N 3.5Å; D450-Q452 PolarHBondContact O-N 3.46Å; Q452-M455 PolarHBondContact O-N 2.87Å; Q452-E456 WeakPolarHBondContact O-CB 3.38Å; Q452-E456 PolarHBondContact O-N 2.78Å; Q452-V701 WeakPolarHBondContact O-CG1 3.46Å; Q452-A705 HydrophobicContact CB-CB 4.2Å; Q452-L708 HydrophobicContact CG-CD1 4.09Å
453	K	89.6	Confident	90	Very high	77 Å²	77	73.7 Å²	73.7	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-39	174.5	-80.1	-173.8	172.8	-170.6	0	112.5	L449 D450 E456 E457	L449-K453 HydrophobicContact CD1-CG 4.36Å; L449-K453 HydrophobicContact CG-CD 4.42Å; L449-K453 WeakPolarHBondContact O-CB 3.44Å; L449-K453 WeakPolarHBondContact O-CG 3.48Å; L449-K453 PolarHBondContact O-N 2.77Å; D450-K453 PolarHBondContact O-N 2.91Å; K453-E456 WeakPolarHBondContact O-CB 3.47Å; K453-E456 PolarHBondContact O-N 3.3Å; K453-E457 PolarHBondContact O-N 3.25Å
454	R	91.7	Very high	89.9	Confident	146 Å²	146	75.5 Å²	75.5	55%	0.551	36%	0.359	S	S	*	.	H	α-helix	trans	-62.9	-44.4	175.2	-164.1	-177.1	74.6	-141.5	-3.5	111.2	D450 E451 E456 E457 E458	D450-R454 WeakPolarHBondContact O-CB 3.5Å; D450-R454 PolarHBondContact O-N 3.01Å; E451-R454 PolarHBondContact O-N 3.04Å; R454-E456 VanDerWaalsContact C-N 3.31Å; R454-E456 PolarHBondContact O-N 3.31Å; R454-E457 PolarHBondContact O-N 3.47Å; R454-E458 IonicContact NE-OE1 2.72Å; R454-E458 PolarHBondContact NE-OE1 2.63Å; R454-E458 WeakPolarHBondContact O-CG 3.35Å; R454-E458 PolarHBondContact O-N 2.85Å
455	M	87.9	Confident	89.8	Confident	73 Å²	73	77.6 Å²	77.6	36%	0.36	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-38.3	172.7	-99.5	-177.3	-75.1	0	0	112.5	E451 Q452 L459 V701	E451-M455 PolarHBondContact O-N 3.06Å; E451-M455 VanDerWaalsContact O-N 3.11Å; Q452-M455 PolarHBondContact O-N 2.87Å; M455-L459 VanDerWaalsContact O-CB 3.3Å; M455-L459 WeakPolarHBondContact O-CB 3.31Å; M455-L459 WeakPolarHBondContact O-CG 3.39Å; M455-L459 PolarHBondContact O-N 2.9Å; M455-V701 HydrophobicContact CB-CG1 4.23Å
456	E	90.3	Very high	89.8	Confident	51 Å²	51	77.1 Å²	77.1	24%	0.238	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-47.9	175.3	-172.8	-173.9	163.3	0	0	111.4	Q452 K453 R454 T460 L698 V701 Q702	Q452-E456 WeakPolarHBondContact O-CB 3.38Å; Q452-E456 PolarHBondContact O-N 2.78Å; K453-E456 WeakPolarHBondContact O-CB 3.47Å; K453-E456 PolarHBondContact O-N 3.3Å; R454-E456 VanDerWaalsContact C-N 3.31Å; R454-E456 PolarHBondContact O-N 3.31Å; E456-T460 VanDerWaalsContact O-CB 3.23Å; E456-T460 WeakPolarHBondContact O-CB 3.26Å; E456-T460 PolarHBondContact O-N 3Å; E456-T460 PolarHBondContact O-OG1 2.88Å; E456-L698 HydrophobicContact CG-CD1 3.99Å; E456-V701 HydrophobicContact CB-CG1 3.98Å; E456-Q702 HydrophobicContact CG-CG 3.72Å; E456-Q702 WeakPolarHBondContact OE1-CG 3.41Å; E456-Q702 PolarHBondContact OE1-NE2 3.17Å
457	E	90.3	Very high	89.6	Confident	129 Å²	129	73.7 Å²	73.7	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-61.2	-50.5	178.1	-75.6	174.9	176.7	0	0	111.3	K453 R454 L459 T460 E461	K453-E457 PolarHBondContact O-N 3.25Å; R454-E457 PolarHBondContact O-N 3.47Å; E457-L459 PolarHBondContact O-N 3.45Å; E457-T460 PolarHBondContact O-N 3.33Å; E457-E461 PolarHBondContact O-N 2.79Å
458	E	89.9	Confident	89.5	Confident	106 Å²	106	75.6 Å²	75.6	50%	0.495	35%	0.353	S	S	.	.	H	α-helix	trans	-57.1	-47.3	178.3	-72.4	171.4	-163.5	0	0	111.8	R454 E462	R454-E458 IonicContact NE-OE1 2.72Å; R454-E458 PolarHBondContact NE-OE1 2.63Å; R454-E458 WeakPolarHBondContact O-CG 3.35Å; R454-E458 PolarHBondContact O-N 2.85Å; E458-E462 WeakPolarHBondContact O-CB 3.32Å; E458-E462 PolarHBondContact O-N 3.4Å; E458-E462 VanDerWaalsContact O-N 3.1Å
459	L	89.1	Confident	89.6	Confident	22 Å²	22	76.5 Å²	76.5	12%	0.115	35%	0.349	C	S	.	.	H	α-helix	trans	-70	-33.5	178.8	-75.7	169.4	0	0	0	112.7	M455 E457 V463 K694 L698 V701	M455-L459 VanDerWaalsContact O-CB 3.3Å; M455-L459 WeakPolarHBondContact O-CB 3.31Å; M455-L459 WeakPolarHBondContact O-CG 3.39Å; M455-L459 PolarHBondContact O-N 2.9Å; E457-L459 PolarHBondContact O-N 3.45Å; L459-V463 WeakPolarHBondContact O-CB 3.32Å; L459-V463 VanDerWaalsContact O-CG2 3.24Å; L459-V463 WeakPolarHBondContact O-CG2 3.49Å; L459-V463 PolarHBondContact O-N 2.61Å; L459-K694 HydrophobicContact CD2-CB 4.23Å; L459-K694 HydrophobicContact CD2-CD 4.06Å; L459-L698 HydrophobicContact CB-CB 4.33Å; L459-L698 HydrophobicContact CB-CD1 3.95Å; L459-V701 HydrophobicContact CD1-CG2 4.14Å
460	T	90.1	Very high	89.4	Confident	42 Å²	42	76.2 Å²	76.2	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-47.2	177.6	-60.9	0	0	0	0	110.4	E456 E457 E462 V463 E464 L698	E456-T460 VanDerWaalsContact O-CB 3.23Å; E456-T460 WeakPolarHBondContact O-CB 3.26Å; E456-T460 PolarHBondContact O-N 3Å; E456-T460 PolarHBondContact O-OG1 2.88Å; E457-T460 PolarHBondContact O-N 3.33Å; T460-E462 PolarHBondContact O-N 3.41Å; T460-V463 PolarHBondContact O-N 3.49Å; T460-E464 HydrophobicContact CG2-CG 4.48Å; T460-E464 WeakPolarHBondContact O-CB 3.25Å; T460-E464 PolarHBondContact O-N 2.64Å; T460-L698 VanDerWaalsContact OG1-CD1 3.25Å; T460-L698 WeakPolarHBondContact OG1-CD1 3.33Å
461	E	90.1	Very high	89.2	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-60.3	-45.5	175.9	-72.5	-173.9	170.9	0	0	111.5	E457 V463 E464 M465	E457-E461 PolarHBondContact O-N 2.79Å; E461-V463 PolarHBondContact O-N 2.93Å; E461-E464 PolarHBondContact O-N 2.99Å; E461-M465 HydrophobicContact CB-CE 4.47Å; E461-M465 WeakPolarHBondContact O-CB 3.49Å; E461-M465 WeakPolarHBondContact O-CG 3.18Å; E461-M465 PolarHBondContact O-N 3.24Å
462	E	87.9	Confident	89.2	Confident	71 Å²	71	77 Å²	77	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-45	179.1	-166.9	-178.2	-179	0	0	112	E458 T460 A466 K694	E458-E462 WeakPolarHBondContact O-CB 3.32Å; E458-E462 PolarHBondContact O-N 3.4Å; E458-E462 VanDerWaalsContact O-N 3.1Å; T460-E462 PolarHBondContact O-N 3.41Å; E462-A466 WeakPolarHBondContact O-CB 3.36Å; E462-A466 PolarHBondContact O-N 3.21Å; E462-A466 VanDerWaalsContact O-N 3.07Å; E462-K694 IonicContact OE1-NZ 3.05Å; E462-K694 PolarHBondContact OE1-NZ 2.82Å; E462-K694 WeakPolarHBondContact OE2-CD 3.47Å; E462-K694 IonicContact OE2-NZ 3.95Å; E462-K694 PolarHBondContact OE2-NZ 2.81Å
463	V	89.9	Confident	89.2	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-71.5	-39.3	-180	171.6	0	0	0	0	111.8	L459 T460 E461 A466 K467 K694 E695 L698	L459-V463 WeakPolarHBondContact O-CB 3.32Å; L459-V463 VanDerWaalsContact O-CG2 3.24Å; L459-V463 WeakPolarHBondContact O-CG2 3.49Å; L459-V463 PolarHBondContact O-N 2.61Å; T460-V463 PolarHBondContact O-N 3.49Å; E461-V463 PolarHBondContact O-N 2.93Å; V463-A466 PolarHBondContact O-N 3.45Å; V463-K467 HydrophobicContact CG1-CD 4.2Å; V463-K467 WeakPolarHBondContact O-CB 3.31Å; V463-K467 WeakPolarHBondContact O-CG 3.43Å; V463-K467 PolarHBondContact O-N 2.83Å; V463-K694 HydrophobicContact CG2-CB 4.21Å; V463-E695 HydrophobicContact CG1-CB 4.14Å; V463-E695 HydrophobicContact CG1-CG 4.43Å; V463-L698 HydrophobicContact CB-CD2 4.43Å; V463-L698 HydrophobicContact CG2-CD2 4.49Å
464	E	88.2	Confident	89	Confident	96 Å²	96	74.5 Å²	74.5	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-45.9	176.1	-83.5	-142.7	168.6	0	0	112.1	T460 E461 A466 K467 R468	T460-E464 HydrophobicContact CG2-CG 4.48Å; T460-E464 WeakPolarHBondContact O-CB 3.25Å; T460-E464 PolarHBondContact O-N 2.64Å; E461-E464 PolarHBondContact O-N 2.99Å; E464-A466 VanDerWaalsContact C-N 3.31Å; E464-A466 PolarHBondContact O-N 3.47Å; E464-K467 PolarHBondContact O-N 3.49Å; E464-R468 WeakPolarHBondContact O-CG 3.11Å; E464-R468 PolarHBondContact O-N 3.24Å; E464-R468 IonicContact OE2-CZ 3.59Å; E464-R468 IonicContact OE2-NE 2.95Å; E464-R468 IonicContact OE2-NH2 2.89Å; E464-R468 PolarHBondContact OE2-NH2 2.96Å
465	M	88.7	Confident	88.8	Confident	123 Å²	123	74.2 Å²	74.2	61%	0.606	35%	0.349	S	S	*	.	H	α-helix	trans	-59.4	-44.7	176.2	-76.6	-166.5	-74.2	0	0	111.1	E461 K467 R468 R469	E461-M465 HydrophobicContact CB-CE 4.47Å; E461-M465 WeakPolarHBondContact O-CB 3.49Å; E461-M465 WeakPolarHBondContact O-CG 3.18Å; E461-M465 PolarHBondContact O-N 3.24Å; M465-K467 PolarHBondContact O-N 3.43Å; M465-R468 PolarHBondContact O-N 3.49Å; M465-R469 WeakPolarHBondContact O-CB 3.38Å; M465-R469 PolarHBondContact O-N 2.87Å
466	A	88.8	Confident	88.8	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-41	176.6	0	0	0	0	0	112.4	E462 V463 E464 R469 I470 A691	E462-A466 WeakPolarHBondContact O-CB 3.36Å; E462-A466 PolarHBondContact O-N 3.21Å; E462-A466 VanDerWaalsContact O-N 3.07Å; V463-A466 PolarHBondContact O-N 3.45Å; E464-A466 VanDerWaalsContact C-N 3.31Å; E464-A466 PolarHBondContact O-N 3.47Å; A466-R469 PolarHBondContact O-N 2.95Å; A466-I470 WeakPolarHBondContact O-CB 3.48Å; A466-I470 WeakPolarHBondContact O-CD1 3.22Å; A466-I470 WeakPolarHBondContact O-CG1 3.24Å; A466-I470 PolarHBondContact O-N 2.93Å; A466-A691 HydrophobicContact CB-CB 3.8Å
467	K	86.8	Confident	88.7	Confident	70 Å²	70	72 Å²	72	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-49.1	176.6	-79.9	175.6	179.2	176.8	0	111.9	V463 E464 M465 R469 I470 D471 E695	V463-K467 HydrophobicContact CG1-CD 4.2Å; V463-K467 WeakPolarHBondContact O-CB 3.31Å; V463-K467 WeakPolarHBondContact O-CG 3.43Å; V463-K467 PolarHBondContact O-N 2.83Å; E464-K467 PolarHBondContact O-N 3.49Å; M465-K467 PolarHBondContact O-N 3.43Å; K467-R469 VanDerWaalsContact C-N 3.31Å; K467-R469 PolarHBondContact O-N 2.92Å; K467-I470 PolarHBondContact O-N 3.11Å; K467-D471 PolarHBondContact O-N 3.18Å; K467-D471 VanDerWaalsContact O-N 3.07Å; K467-E695 WeakPolarHBondContact CE-OE2 3.46Å; K467-E695 VanDerWaalsContact NZ-CD 3.32Å; K467-E695 IonicContact NZ-OE1 3.32Å; K467-E695 PolarHBondContact NZ-OE1 3.08Å; K467-E695 IonicContact NZ-OE2 3.16Å
468	R	89.2	Confident	88.3	Confident	162 Å²	162	70.5 Å²	70.5	61%	0.611	34%	0.335	S	S	*	.	H	α-helix	trans	-58.4	-45.2	177.5	-67.8	-179.8	-163.6	-172.1	8.5	111	E464 M465 I470 D471 E472	E464-R468 WeakPolarHBondContact O-CG 3.11Å; E464-R468 PolarHBondContact O-N 3.24Å; E464-R468 IonicContact OE2-CZ 3.59Å; E464-R468 IonicContact OE2-NE 2.95Å; E464-R468 IonicContact OE2-NH2 2.89Å; E464-R468 PolarHBondContact OE2-NH2 2.96Å; M465-R468 PolarHBondContact O-N 3.49Å; R468-I470 PolarHBondContact O-N 2.79Å; R468-D471 PolarHBondContact O-N 2.83Å; R468-E472 WeakPolarHBondContact O-CG 3.35Å; R468-E472 PolarHBondContact O-N 3.43Å
469	R	90.3	Very high	88	Confident	70 Å²	70	71 Å²	71	26%	0.264	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-37.1	179.2	-169.6	61.4	-177.3	152.1	6	112.9	M465 A466 K467 D471 E472 I473 E684 Q688	M465-R469 WeakPolarHBondContact O-CB 3.38Å; M465-R469 PolarHBondContact O-N 2.87Å; A466-R469 PolarHBondContact O-N 2.95Å; K467-R469 VanDerWaalsContact C-N 3.31Å; K467-R469 PolarHBondContact O-N 2.92Å; R469-D471 VanDerWaalsContact C-N 3.33Å; R469-D471 PolarHBondContact O-N 2.98Å; R469-E472 WeakPolarHBondContact CD-OE2 3.34Å; R469-E472 IonicContact CZ-OE2 2.75Å; R469-E472 IonicContact NH1-OE2 3.14Å; R469-E472 PolarHBondContact NH1-OE2 2.95Å; R469-E472 PolarHBondContact O-N 3.2Å; R469-I473 HydrophobicContact CG-CD1 3.88Å; R469-I473 HydrophobicContact CG-CG1 4.39Å; R469-I473 WeakPolarHBondContact O-CB 3.3Å; R469-I473 WeakPolarHBondContact O-CG1 3.47Å; R469-I473 PolarHBondContact O-N 3.15Å; R469-E684 IonicContact CZ-OE1 3.78Å; R469-E684 VanDerWaalsContact CZ-OE1 3.32Å; R469-E684 IonicContact NE-OE1 2.64Å; R469-E684 PolarHBondContact NE-OE1 3.32Å; R469-E684 IonicContact NH2-OE1 2.93Å; R469-E684 PolarHBondContact NH2-OE1 3.17Å; R469-E684 IonicContact NH2-OE2 3.96Å; R469-Q688 HydrophobicContact CB-CG 4.39Å; R469-Q688 HydrophobicContact CG-CG 4.04Å
470	I	89	Confident	87.8	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-43.3	173.9	-74.4	163.4	0	0	0	110.9	A466 K467 R468 I473 N474 L685 Q688 M689 K692	A466-I470 WeakPolarHBondContact O-CB 3.48Å; A466-I470 WeakPolarHBondContact O-CD1 3.22Å; A466-I470 WeakPolarHBondContact O-CG1 3.24Å; A466-I470 PolarHBondContact O-N 2.93Å; K467-I470 PolarHBondContact O-N 3.11Å; R468-I470 PolarHBondContact O-N 2.79Å; I470-I473 PolarHBondContact O-N 3.36Å; I470-N474 WeakPolarHBondContact CG2-ND2 3.42Å; I470-N474 WeakPolarHBondContact O-CB 3.33Å; I470-N474 VanDerWaalsContact O-CG 3.23Å; I470-N474 PolarHBondContact O-N 3.16Å; I470-N474 PolarHBondContact O-ND2 2.77Å; I470-L685 HydrophobicContact CB-CD1 4.4Å; I470-L685 HydrophobicContact CG1-CD1 4.2Å; I470-L685 HydrophobicContact CG2-CD1 3.96Å; I470-Q688 HydrophobicContact CD1-CB 4.12Å; I470-Q688 HydrophobicContact CG1-CB 3.65Å; I470-M689 HydrophobicContact CD1-CG 4.31Å; I470-M689 HydrophobicContact CD1-SD 3.97Å; I470-K692 HydrophobicContact CD1-CB 3.98Å; I470-K692 HydrophobicContact CD1-CD 3.72Å; I470-K692 HydrophobicContact CD1-CG 4.44Å
471	D	86.3	Confident	87	Confident	104 Å²	104	72.1 Å²	72.1	56%	0.556	34%	0.34	S	S	*	.	H	α-helix	trans	-67	-41.7	179.9	-68.3	-22.3	0	0	0	111.5	K467 R468 R469 N474 M475	K467-D471 PolarHBondContact O-N 3.18Å; K467-D471 VanDerWaalsContact O-N 3.07Å; R468-D471 PolarHBondContact O-N 2.83Å; R469-D471 VanDerWaalsContact C-N 3.33Å; R469-D471 PolarHBondContact O-N 2.98Å; D471-N474 PolarHBondContact O-N 3.04Å; D471-M475 PolarHBondContact O-N 3.36Å
472	E	89.5	Confident	86.4	Confident	96 Å²	96	72 Å²	72	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-58.6	-50.4	171.4	-71.5	173.1	-173.5	0	0	112	R468 R469 N474 M475 E476	R468-E472 WeakPolarHBondContact O-CG 3.35Å; R468-E472 PolarHBondContact O-N 3.43Å; R469-E472 WeakPolarHBondContact CD-OE2 3.34Å; R469-E472 IonicContact CZ-OE2 2.75Å; R469-E472 IonicContact NH1-OE2 3.14Å; R469-E472 PolarHBondContact NH1-OE2 2.95Å; R469-E472 PolarHBondContact O-N 3.2Å; E472-N474 VanDerWaalsContact C-N 3.3Å; E472-N474 PolarHBondContact O-N 2.97Å; E472-M475 WeakPolarHBondContact O-CB 3.11Å; E472-M475 PolarHBondContact O-N 3.23Å; E472-M475 VanDerWaalsContact O-N 3.15Å; E472-E476 PolarHBondContact O-N 3.24Å
473	I	90.2	Very high	85.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-40.7	179.3	-69.8	166.2	0	0	0	110.6	R469 I470 M475 E476 L477 L681 E684 L685 Q688	R469-I473 HydrophobicContact CG-CD1 3.88Å; R469-I473 HydrophobicContact CG-CG1 4.39Å; R469-I473 WeakPolarHBondContact O-CB 3.3Å; R469-I473 WeakPolarHBondContact O-CG1 3.47Å; R469-I473 PolarHBondContact O-N 3.15Å; I470-I473 PolarHBondContact O-N 3.36Å; I473-M475 PolarHBondContact O-N 3.11Å; I473-E476 PolarHBondContact O-N 3.24Å; I473-L477 WeakPolarHBondContact O-CB 3.48Å; I473-L477 PolarHBondContact O-N 3.28Å; I473-L681 HydrophobicContact CG1-CD2 4.44Å; I473-L681 HydrophobicContact CG2-CB 4.23Å; I473-L681 HydrophobicContact CG2-CD2 4.24Å; I473-L681 WeakPolarHBondContact CG2-O 3.5Å; I473-E684 HydrophobicContact CD1-CB 4.06Å; I473-E684 HydrophobicContact CD1-CG 3.72Å; I473-L685 HydrophobicContact CG2-CB 3.97Å; I473-L685 HydrophobicContact CG2-CD1 4.13Å; I473-Q688 HydrophobicContact CD1-CG 4.25Å
474	N	85.2	Confident	84.7	Confident	62 Å²	62	74.4 Å²	74.4	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-38.7	176.9	-76.3	-37.7	0	0	0	112	I470 D471 E472 N478	I470-N474 WeakPolarHBondContact CG2-ND2 3.42Å; I470-N474 WeakPolarHBondContact O-CB 3.33Å; I470-N474 VanDerWaalsContact O-CG 3.23Å; I470-N474 PolarHBondContact O-N 3.16Å; I470-N474 PolarHBondContact O-ND2 2.77Å; D471-N474 PolarHBondContact O-N 3.04Å; E472-N474 VanDerWaalsContact C-N 3.3Å; E472-N474 PolarHBondContact O-N 2.97Å; N474-N478 VanDerWaalsContact O-CB 3.31Å; N474-N478 WeakPolarHBondContact O-CB 3.33Å; N474-N478 PolarHBondContact O-N 2.81Å; N474-N478 PolarHBondContact O-ND2 2.92Å
475	M	87.4	Confident	83.4	Confident	139 Å²	139	71.1 Å²	71.1	69%	0.685	34%	0.343	S	S	*	.	H	α-helix	trans	-62.5	-47.6	172.2	-80.1	-176.8	132.3	0	0	111.5	D471 E472 I473 L477 N478 Q479	D471-M475 PolarHBondContact O-N 3.36Å; E472-M475 WeakPolarHBondContact O-CB 3.11Å; E472-M475 PolarHBondContact O-N 3.23Å; E472-M475 VanDerWaalsContact O-N 3.15Å; I473-M475 PolarHBondContact O-N 3.11Å; M475-L477 VanDerWaalsContact C-N 3.35Å; M475-L477 PolarHBondContact O-N 2.99Å; M475-N478 PolarHBondContact O-N 3.15Å; M475-Q479 WeakPolarHBondContact O-CG 3.44Å; M475-Q479 PolarHBondContact O-N 3.09Å
476	E	88.3	Confident	82.1	Confident	59 Å²	59	70.8 Å²	70.8	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-41.3	177.7	-71.3	-171.3	-146.3	0	0	112.1	E472 I473 Q479 V480 L681	E472-E476 PolarHBondContact O-N 3.24Å; I473-E476 PolarHBondContact O-N 3.24Å; E476-Q479 PolarHBondContact O-N 3.28Å; E476-V480 VanDerWaalsContact O-CG2 3.31Å; E476-V480 WeakPolarHBondContact O-CG2 3.46Å; E476-V480 PolarHBondContact O-N 3.49Å; E476-L681 HydrophobicContact CB-CD1 3.86Å; E476-L681 HydrophobicContact CB-CD2 4.26Å; E476-L681 WeakPolarHBondContact OE2-CD2 3.39Å
477	L	86.9	Confident	80.6	Confident	20 Å²	20	73.1 Å²	73.1	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-70.2	-36.2	-179.1	-158.3	146.1	0	0	0	110.9	I473 M475 V480 M481 L681	I473-L477 WeakPolarHBondContact O-CB 3.48Å; I473-L477 PolarHBondContact O-N 3.28Å; M475-L477 VanDerWaalsContact C-N 3.35Å; M475-L477 PolarHBondContact O-N 2.99Å; L477-V480 PolarHBondContact O-N 2.59Å; L477-M481 HydrophobicContact CD2-CE 4.01Å; L477-M481 HydrophobicContact CD2-CG 4.08Å; L477-M481 HydrophobicContact CD2-SD 4.11Å; L477-M481 WeakPolarHBondContact O-CB 3.3Å; L477-M481 VanDerWaalsContact O-CG 3.26Å; L477-M481 WeakPolarHBondContact O-CG 3.42Å; L477-M481 PolarHBondContact O-N 2.93Å; L477-L681 HydrophobicContact CD1-CB 4.01Å
478	N	82.1	Confident	78.8	Confident	97 Å²	97	78 Å²	78	52%	0.519	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-44.8	170.8	-77.9	-24.5	0	0	0	111.9	N474 M475 V480 M481 E482	N474-N478 VanDerWaalsContact O-CB 3.31Å; N474-N478 WeakPolarHBondContact O-CB 3.33Å; N474-N478 PolarHBondContact O-N 2.81Å; N474-N478 PolarHBondContact O-ND2 2.92Å; M475-N478 PolarHBondContact O-N 3.15Å; N478-V480 VanDerWaalsContact C-N 3.35Å; N478-V480 PolarHBondContact O-N 3.07Å; N478-M481 PolarHBondContact O-N 3.47Å; N478-E482 WeakPolarHBondContact O-CB 3.31Å; N478-E482 PolarHBondContact O-N 3.45Å
479	Q	83.8	Confident	76.8	Confident	115 Å²	115	76.7 Å²	76.7	54%	0.537	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-42.9	174.8	-73.9	177.7	-1	0	0	112	M475 E476 M481 E482 Q483	M475-Q479 WeakPolarHBondContact O-CG 3.44Å; M475-Q479 PolarHBondContact O-N 3.09Å; E476-Q479 PolarHBondContact O-N 3.28Å; Q479-M481 VanDerWaalsContact C-N 3.34Å; Q479-E482 PolarHBondContact O-N 2.94Å; Q479-Q483 VanDerWaalsContact O-CG 3.27Å; Q479-Q483 WeakPolarHBondContact O-CG 3.43Å; Q479-Q483 PolarHBondContact O-N 3.43Å
480	V	84.3	Confident	74.8	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.024	40%	0.4	C	S	.	.	H	α-helix	trans	-67.3	-36.1	176.7	172.3	0	0	0	0	111.3	E476 L477 N478 L484 L674 K677 K678 L681	E476-V480 VanDerWaalsContact O-CG2 3.31Å; E476-V480 WeakPolarHBondContact O-CG2 3.46Å; E476-V480 PolarHBondContact O-N 3.49Å; L477-V480 PolarHBondContact O-N 2.59Å; N478-V480 VanDerWaalsContact C-N 3.35Å; N478-V480 PolarHBondContact O-N 3.07Å; V480-L484 HydrophobicContact CG1-CD1 3.94Å; V480-L484 HydrophobicContact CG1-CG 4.49Å; V480-L484 VanDerWaalsContact O-CB 3.32Å; V480-L484 WeakPolarHBondContact O-CB 3.38Å; V480-L484 VanDerWaalsContact O-CG 3.32Å; V480-L484 WeakPolarHBondContact O-CG 3.43Å; V480-L484 PolarHBondContact O-N 3.34Å; V480-L674 WeakPolarHBondContact CG1-O 3.48Å; V480-K677 HydrophobicContact CG2-CD 4.09Å; V480-K677 HydrophobicContact CG2-CG 4.41Å; V480-K678 HydrophobicContact CG1-CB 3.94Å; V480-L681 HydrophobicContact CG2-CD1 4.3Å
481	M	74.8	Confident	73	Confident	84 Å²	84	84.2 Å²	84.2	41%	0.414	42%	0.42	S	S	.	.	H	α-helix	trans	-69.8	-35.5	175.5	-77	-152.5	-58.8	0	0	112.9	L477 N478 Q479 L484 G485	L477-M481 HydrophobicContact CD2-CE 4.01Å; L477-M481 HydrophobicContact CD2-CG 4.08Å; L477-M481 HydrophobicContact CD2-SD 4.11Å; L477-M481 WeakPolarHBondContact O-CB 3.3Å; L477-M481 VanDerWaalsContact O-CG 3.26Å; L477-M481 WeakPolarHBondContact O-CG 3.42Å; L477-M481 PolarHBondContact O-N 2.93Å; N478-M481 PolarHBondContact O-N 3.47Å; Q479-M481 VanDerWaalsContact C-N 3.34Å; M481-L484 PolarHBondContact O-N 3.16Å; M481-G485 WeakPolarHBondContact O-CA 3.37Å; M481-G485 PolarHBondContact O-N 3.28Å
482	E	76.6	Confident	71	Confident	131 Å²	131	88.9 Å²	88.9	61%	0.612	44%	0.439	S	S	*	.	H	α-helix	trans	-64.6	-48	173	-170.5	173.2	-165.5	0	0	110.5	N478 Q479 L484 G485 D486	N478-E482 WeakPolarHBondContact O-CB 3.31Å; N478-E482 PolarHBondContact O-N 3.45Å; Q479-E482 PolarHBondContact O-N 2.94Å; E482-L484 VanDerWaalsContact C-N 3.33Å; E482-L484 PolarHBondContact O-N 2.98Å; E482-G485 WeakPolarHBondContact O-CA 3.47Å; E482-G485 PolarHBondContact O-N 3.26Å; E482-D486 PolarHBondContact O-N 3.3Å
483	Q	73	Confident	68.9	Low	102 Å²	102	91 Å²	91	48%	0.477	45%	0.449	S	S	.	.	H	α-helix	trans	-61.3	-37.7	174.9	-70.1	173.4	2.2	0	0	113.1	Q479 A487 L674	Q479-Q483 VanDerWaalsContact O-CG 3.27Å; Q479-Q483 WeakPolarHBondContact O-CG 3.43Å; Q479-Q483 PolarHBondContact O-N 3.43Å; Q483-A487 WeakPolarHBondContact O-CB 3.33Å; Q483-A487 PolarHBondContact O-N 3.48Å; Q483-L674 HydrophobicContact CB-CD1 4.13Å
484	L	69.9	Low	67.3	Low	21 Å²	21	93.4 Å²	93.4	11%	0.11	46%	0.461	C	S	.	.	H	α-helix	trans	-73.4	-29.5	173.5	-79.2	169	0	0	0	112.7	V480 M481 E482 R488 V671 L674 K675 K678	V480-L484 HydrophobicContact CG1-CD1 3.94Å; V480-L484 HydrophobicContact CG1-CG 4.49Å; V480-L484 VanDerWaalsContact O-CB 3.32Å; V480-L484 WeakPolarHBondContact O-CB 3.38Å; V480-L484 VanDerWaalsContact O-CG 3.32Å; V480-L484 WeakPolarHBondContact O-CG 3.43Å; V480-L484 PolarHBondContact O-N 3.34Å; M481-L484 PolarHBondContact O-N 3.16Å; E482-L484 VanDerWaalsContact C-N 3.33Å; E482-L484 PolarHBondContact O-N 2.98Å; L484-R488 VanDerWaalsContact O-CB 3.25Å; L484-R488 WeakPolarHBondContact O-CB 3.33Å; L484-R488 WeakPolarHBondContact O-CG 3.29Å; L484-R488 PolarHBondContact O-N 3.29Å; L484-V671 HydrophobicContact CD2-CG1 4.1Å; L484-L674 HydrophobicContact CD2-CB 3.95Å; L484-L674 HydrophobicContact CG-CB 4.11Å; L484-K675 HydrophobicContact CD2-CG 4.24Å; L484-K678 HydrophobicContact CD1-CB 4.48Å; L484-K678 HydrophobicContact CD1-CD 4.06Å
485	G	60.3	Low	65.9	Low	28 Å²	28	95.5 Å²	95.5	29%	0.289	48%	0.481	S	S	.	.	H	α-helix	trans	-67.1	-49.6	176	0	0	0	0	0	111	M481 E482 A487 R488 I489	M481-G485 WeakPolarHBondContact O-CA 3.37Å; M481-G485 PolarHBondContact O-N 3.28Å; E482-G485 WeakPolarHBondContact O-CA 3.47Å; E482-G485 PolarHBondContact O-N 3.26Å; G485-A487 VanDerWaalsContact C-N 3.25Å; G485-A487 PolarHBondContact O-N 3.24Å; G485-R488 WeakPolarHBondContact O-CA 3.49Å; G485-R488 WeakPolarHBondContact O-CB 3.38Å; G485-R488 PolarHBondContact O-N 3.06Å; G485-I489 WeakPolarHBondContact O-CG1 3.36Å; G485-I489 PolarHBondContact O-N 2.64Å
486	D	61.2	Low	64.6	Low	116 Å²	116	96.6 Å²	96.6	62%	0.62	48%	0.477	S	S	*	.	H	α-helix	trans	-59.7	-37	174.3	-72.5	-14	0	0	0	111.9	E482 R488	E482-D486 PolarHBondContact O-N 3.3Å; D486-R488 VanDerWaalsContact C-N 3.31Å; D486-R488 PolarHBondContact O-N 3.17Å
487	A	57.3	Low	63.2	Low	50 Å²	50	97.6 Å²	97.6	41%	0.413	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.9	173.8	0	0	0	0	0	114.1	Q483 G485 V671	Q483-A487 WeakPolarHBondContact O-CB 3.33Å; Q483-A487 PolarHBondContact O-N 3.48Å; G485-A487 VanDerWaalsContact C-N 3.25Å; G485-A487 PolarHBondContact O-N 3.24Å; A487-V671 HydrophobicContact CB-CG2 4.15Å
488	R	49	Very low	62	Low	171 Å²	171	101.7 Å²	101.7	65%	0.645	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-17.9	-177.1	-98.4	-178.3	168.3	-168.8	-4.1	114.4	L484 G485 D486 D490 R491	L484-R488 VanDerWaalsContact O-CB 3.25Å; L484-R488 WeakPolarHBondContact O-CB 3.33Å; L484-R488 WeakPolarHBondContact O-CG 3.29Å; L484-R488 PolarHBondContact O-N 3.29Å; G485-R488 WeakPolarHBondContact O-CA 3.49Å; G485-R488 WeakPolarHBondContact O-CB 3.38Å; G485-R488 PolarHBondContact O-N 3.06Å; D486-R488 VanDerWaalsContact C-N 3.31Å; D486-R488 PolarHBondContact O-N 3.17Å; R488-D490 PolarHBondContact O-N 3.47Å; R488-R491 WeakPolarHBondContact O-CB 3.15Å; R488-R491 PolarHBondContact O-N 2.87Å
489	I	47.1	Very low	61.2	Low	136 Å²	136	103.8 Å²	103.8	70%	0.697	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18	-173.2	-73.4	168.2	0	0	0	113.4	G485	G485-I489 WeakPolarHBondContact O-CG1 3.36Å; G485-I489 PolarHBondContact O-N 2.64Å
490	D	48.7	Very low	60.5	Low	116 Å²	116	101.3 Å²	101.3	62%	0.62	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	10.6	-179.8	-71.8	-23.5	0	0	0	114.7	R488 Q492 R664	R488-D490 PolarHBondContact O-N 3.47Å; D490-Q492 PolarHBondContact O-N 2.82Å; D490-Q492 VanDerWaalsContact O-N 3.14Å; D490-R664 IonicContact OD2-NH1 3.3Å; D490-R664 PolarHBondContact OD2-NH1 2.83Å; D490-R664 VanDerWaalsContact OD2-NH1 3.11Å
491	R	50.5	Low	59.8	Low	117 Å²	117	103.5 Å²	103.5	44%	0.442	51%	0.507	S	S	.	.			trans	-86.8	38.2	-168.8	-113.2	-175.1	-168.2	-152.9	-0.6	116.5	R488 E493 N494	R488-R491 WeakPolarHBondContact O-CB 3.15Å; R488-R491 PolarHBondContact O-N 2.87Å; R491-E493 PolarHBondContact O-N 2.85Å; R491-N494 HydrophobicContact CG-CB 4.39Å; R491-N494 PolarHBondContact NH1-ND2 3.34Å
492	Q	44.4	Very low	59.8	Low	203 Å²	203	104.4 Å²	104.4	95%	0.949	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	3.5	175.3	-132.6	174.2	12.6	0	0	114.3	D490	D490-Q492 PolarHBondContact O-N 2.82Å; D490-Q492 VanDerWaalsContact O-N 3.14Å
493	E	46.7	Very low	59.7	Low	141 Å²	141	99.3 Å²	99.3	66%	0.659	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	10.9	177.4	-89.7	-170	148.2	0	0	115.2	R491 S495	R491-E493 PolarHBondContact O-N 2.85Å; E493-S495 PolarHBondContact O-N 3.17Å
494	N	54.7	Low	59.9	Low	50 Å²	50	95.2 Å²	95.2	27%	0.267	47%	0.468	S	S	.	.	H	α-helix	trans	-79.7	-22.1	-152.3	-149.6	43.3	0	0	0	117.3	R491 Q498	R491-N494 HydrophobicContact CG-CB 4.39Å; R491-N494 PolarHBondContact NH1-ND2 3.34Å; N494-Q498 WeakPolarHBondContact O-CB 3.4Å; N494-Q498 PolarHBondContact O-N 3.49Å
495	S	57.1	Low	60.3	Low	106 Å²	106	99.1 Å²	99.1	74%	0.741	49%	0.486	S	S	*	.	H	α-helix	trans	-74.1	-33.9	178.5	60.2	0	0	0	0	112.7	E493 R499	E493-S495 PolarHBondContact O-N 3.17Å; S495-R499 PolarHBondContact O-N 2.74Å
496	R	58.8	Low	61.2	Low	162 Å²	162	99.9 Å²	99.9	61%	0.611	49%	0.487	S	S	*	.	H	α-helix	trans	-76.4	-41.4	-177.5	-163.2	175.4	-178.9	171.7	7.7	111.5	K500 E566	R496-K500 WeakPolarHBondContact O-CG 3.43Å; R496-K500 PolarHBondContact O-N 3.25Å; R496-E566 IonicContact CZ-OE1 3.52Å; R496-E566 IonicContact CZ-OE2 2.76Å; R496-E566 VanDerWaalsContact NE-CD 3.33Å; R496-E566 IonicContact NE-OE1 3.52Å; R496-E566 PolarHBondContact NE-OE1 2.94Å; R496-E566 IonicContact NE-OE2 2.66Å; R496-E566 PolarHBondContact NE-OE2 2.79Å; R496-E566 VanDerWaalsContact NH2-CD 3.34Å; R496-E566 IonicContact NH2-OE1 2.93Å; R496-E566 PolarHBondContact NH2-OE1 2.94Å; R496-E566 IonicContact NH2-OE2 3.63Å; R496-E566 PolarHBondContact NH2-OE2 2.69Å
497	Q	59.5	Low	62.2	Low	80 Å²	80	94.4 Å²	94.4	37%	0.374	46%	0.457	S	S	.	.	H	α-helix	trans	-71.7	-35.9	176.2	-105.3	158.5	-5.3	0	0	113.2	K500 A501	Q497-K500 PolarHBondContact O-N 2.92Å; Q497-A501 PolarHBondContact O-N 3.13Å
498	Q	62.1	Low	63.2	Low	105 Å²	105	95.9 Å²	95.9	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-43.1	177.1	-170.9	165.9	0.9	0	0	111.4	N494 K500 A501 E502	N494-Q498 WeakPolarHBondContact O-CB 3.4Å; N494-Q498 PolarHBondContact O-N 3.49Å; Q498-K500 VanDerWaalsContact C-N 3.33Å; Q498-K500 PolarHBondContact O-N 3.33Å; Q498-A501 PolarHBondContact O-N 3.13Å; Q498-E502 WeakPolarHBondContact O-CG 3.08Å; Q498-E502 PolarHBondContact O-N 2.89Å
499	R	66.2	Low	64.7	Low	141 Å²	141	96.4 Å²	96.4	53%	0.532	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-35.7	174.1	-163.6	171.5	-176.9	176.7	-0.8	113	S495 I503	S495-R499 PolarHBondContact O-N 2.74Å; R499-I503 HydrophobicContact CG-CD1 4.24Å; R499-I503 WeakPolarHBondContact O-CB 3.42Å; R499-I503 VanDerWaalsContact O-CG1 3.24Å; R499-I503 WeakPolarHBondContact O-CG1 3.26Å; R499-I503 PolarHBondContact O-N 2.85Å
500	K	67.9	Low	66.2	Low	64 Å²	64	94.2 Å²	94.2	28%	0.278	45%	0.446	S	S	.	.	H	α-helix	trans	-66.4	-40.9	173.5	-73.8	-175.7	-178.5	-139.8	0	112.6	R496 Q497 Q498 M504 E566 E568	R496-K500 WeakPolarHBondContact O-CG 3.43Å; R496-K500 PolarHBondContact O-N 3.25Å; Q497-K500 PolarHBondContact O-N 2.92Å; Q498-K500 VanDerWaalsContact C-N 3.33Å; Q498-K500 PolarHBondContact O-N 3.33Å; K500-M504 WeakPolarHBondContact O-CB 3.48Å; K500-M504 PolarHBondContact O-N 3.09Å; K500-E566 WeakPolarHBondContact CE-OE2 3.17Å; K500-E566 IonicContact NZ-OE2 3.04Å; K500-E566 PolarHBondContact NZ-OE2 2.88Å; K500-E568 WeakPolarHBondContact CD-OE1 3.23Å; K500-E568 WeakPolarHBondContact CE-OE1 3.5Å; K500-E568 IonicContact NZ-OE1 3.76Å; K500-E568 PolarHBondContact NZ-OE1 3.13Å
501	A	69.6	Low	67.8	Low	49 Å²	49	92 Å²	92	41%	0.405	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-42.5	176.6	0	0	0	0	0	111.6	Q497 Q498 M504 E505	Q497-A501 PolarHBondContact O-N 3.13Å; Q498-A501 PolarHBondContact O-N 3.13Å; A501-M504 PolarHBondContact O-N 2.97Å; A501-E505 PolarHBondContact O-N 2.91Å
502	E	74.3	Confident	69	Low	104 Å²	104	91.1 Å²	91.1	49%	0.486	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-44.5	176.5	-72.3	167.8	-172.7	0	0	112.7	Q498 M504 E505 S506	Q498-E502 WeakPolarHBondContact O-CG 3.08Å; Q498-E502 PolarHBondContact O-N 2.89Å; E502-M504 VanDerWaalsContact C-N 3.34Å; E502-E505 PolarHBondContact O-N 2.92Å; E502-S506 WeakPolarHBondContact O-CB 3.45Å; E502-S506 PolarHBondContact O-N 3.38Å; E502-S506 PolarHBondContact O-OG 3.33Å
503	I	76	Confident	70.5	Confident	23 Å²	23	84.4 Å²	84.4	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-63	-41.4	174.4	-68.9	168.9	0	0	0	110.6	R499 S506 I507 I560	R499-I503 HydrophobicContact CG-CD1 4.24Å; R499-I503 WeakPolarHBondContact O-CB 3.42Å; R499-I503 VanDerWaalsContact O-CG1 3.24Å; R499-I503 WeakPolarHBondContact O-CG1 3.26Å; R499-I503 PolarHBondContact O-N 2.85Å; I503-S506 WeakPolarHBondContact O-CB 3.41Å; I503-S506 PolarHBondContact O-N 3.48Å; I503-I507 HydrophobicContact CG2-CD1 3.83Å; I503-I507 HydrophobicContact CG2-CG1 4.45Å; I503-I507 VanDerWaalsContact O-CG1 3.3Å; I503-I507 WeakPolarHBondContact O-CG1 3.36Å; I503-I507 PolarHBondContact O-N 2.89Å; I503-I560 HydrophobicContact CG2-CG1 4Å
504	M	76.1	Confident	72.3	Confident	16 Å²	16	79.3 Å²	79.3	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-65.3	-41	178.7	-173.4	60.8	-164.2	0	0	112.4	K500 A501 E502 S506 I507 K508 V515 I545	K500-M504 WeakPolarHBondContact O-CB 3.48Å; K500-M504 PolarHBondContact O-N 3.09Å; A501-M504 PolarHBondContact O-N 2.97Å; E502-M504 VanDerWaalsContact C-N 3.34Å; M504-S506 VanDerWaalsContact C-N 3.31Å; M504-I507 PolarHBondContact O-N 3Å; M504-K508 HydrophobicContact CE-CD 4.38Å; M504-K508 HydrophobicContact CE-CG 4.09Å; M504-K508 PolarHBondContact O-N 3.44Å; M504-V515 HydrophobicContact CE-CG1 3.88Å; M504-I545 HydrophobicContact CE-CD1 4.49Å; M504-I545 HydrophobicContact CE-CG1 4.22Å; M504-I545 HydrophobicContact CE-CG2 3.77Å; M504-I545 HydrophobicContact SD-CD1 3.64Å; M504-I545 HydrophobicContact SD-CG1 3.92Å; M504-I545 HydrophobicContact SD-CG2 4.27Å
505	E	78.5	Confident	73.9	Confident	103 Å²	103	77.4 Å²	77.4	48%	0.481	39%	0.394	S	S	.	.	H	α-helix	trans	-66.6	-36.8	176.2	-159.8	-176.4	160.6	0	0	111.3	A501 E502 K508 R509	A501-E505 PolarHBondContact O-N 2.91Å; E502-E505 PolarHBondContact O-N 2.92Å; E505-K508 PolarHBondContact O-N 3.32Å; E505-R509 WeakPolarHBondContact O-CG 3.31Å; E505-R509 PolarHBondContact O-N 3.03Å; E505-R509 VanDerWaalsContact O-N 3.07Å; E505-R509 IonicContact OE1-CZ 3.8Å; E505-R509 IonicContact OE1-NE 3.18Å; E505-R509 IonicContact OE1-NH2 3.8Å; E505-R509 PolarHBondContact OE1-NH2 2.97Å
506	S	79.7	Confident	75.2	Confident	44 Å²	44	75.4 Å²	75.4	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-43.6	174.7	-57.6	0	0	0	0	112	E502 I503 M504 R509 L510 Y559	E502-S506 WeakPolarHBondContact O-CB 3.45Å; E502-S506 PolarHBondContact O-N 3.38Å; E502-S506 PolarHBondContact O-OG 3.33Å; I503-S506 WeakPolarHBondContact O-CB 3.41Å; I503-S506 PolarHBondContact O-N 3.48Å; M504-S506 VanDerWaalsContact C-N 3.31Å; S506-R509 PolarHBondContact O-N 3.47Å; S506-L510 VanDerWaalsContact O-CG 3.27Å; S506-L510 WeakPolarHBondContact O-CG 3.45Å; S506-L510 PolarHBondContact O-N 3.23Å; S506-Y559 WeakPolarHBondContact CB-OH 3.37Å
507	I	81.9	Confident	76.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-64	-43.1	176.4	-69.4	167.7	0	0	0	111.3	I503 M504 R509 L510 Y511 V515 C556 Y559 I560	I503-I507 HydrophobicContact CG2-CD1 3.83Å; I503-I507 HydrophobicContact CG2-CG1 4.45Å; I503-I507 VanDerWaalsContact O-CG1 3.3Å; I503-I507 WeakPolarHBondContact O-CG1 3.36Å; I503-I507 PolarHBondContact O-N 2.89Å; M504-I507 PolarHBondContact O-N 3Å; I507-R509 VanDerWaalsContact C-N 3.27Å; I507-R509 PolarHBondContact O-N 2.92Å; I507-L510 PolarHBondContact O-N 3.16Å; I507-Y511 HydrophobicContact CG2-CD2 4.33Å; I507-Y511 PolarHBondContact O-N 3.46Å; I507-V515 HydrophobicContact CG2-CB 4.47Å; I507-V515 HydrophobicContact CG2-CG1 4.14Å; I507-V515 HydrophobicContact CG2-CG2 3.94Å; I507-C556 HydrophobicContact CG2-CB 4.18Å; I507-C556 WeakPolarHBondContact CG2-SG 3.33Å; I507-Y559 HydrophobicContact CD1-CD1 4.03Å; I507-Y559 HydrophobicContact CG1-CD1 3.44Å; I507-Y559 VanDerWaalsContact CG1-CD1 3.44Å; I507-Y559 HydrophobicContact CG1-CE1 3.75Å; I507-Y559 HydrophobicContact CG1-CG 4.47Å; I507-I560 HydrophobicContact CD1-CD1 3.8Å; I507-I560 HydrophobicContact CD1-CG1 3.57Å
508	K	78.8	Confident	77.8	Confident	81 Å²	81	66.3 Å²	66.3	35%	0.352	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-34.2	175.2	-79.6	-171.5	173.1	-170.2	0	112.8	M504 E505 V515 Y516	M504-K508 HydrophobicContact CE-CD 4.38Å; M504-K508 HydrophobicContact CE-CG 4.09Å; M504-K508 PolarHBondContact O-N 3.44Å; E505-K508 PolarHBondContact O-N 3.32Å; K508-V515 HydrophobicContact CG-CG1 4.22Å; K508-Y516 WeakPolarHBondContact CE-O 3.39Å; K508-Y516 PolarHBondContact NZ-O 3.35Å
509	R	81.2	Confident	78.9	Confident	182 Å²	182	61.3 Å²	61.3	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-73.7	-34.6	175.8	-72.5	178.8	-170.4	-165.2	5.4	112.7	E505 S506 I507	E505-R509 WeakPolarHBondContact O-CG 3.31Å; E505-R509 PolarHBondContact O-N 3.03Å; E505-R509 VanDerWaalsContact O-N 3.07Å; E505-R509 IonicContact OE1-CZ 3.8Å; E505-R509 IonicContact OE1-NE 3.18Å; E505-R509 IonicContact OE1-NH2 3.8Å; E505-R509 PolarHBondContact OE1-NH2 2.97Å; S506-R509 PolarHBondContact O-N 3.47Å; I507-R509 VanDerWaalsContact C-N 3.27Å; I507-R509 PolarHBondContact O-N 2.92Å
510	L	78.5	Confident	79.8	Confident	91 Å²	91	55.1 Å²	55.1	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-76	-32.5	179.9	-72.4	166.3	0	0	0	112.9	S506 I507 P512 Y559	S506-L510 VanDerWaalsContact O-CG 3.27Å; S506-L510 WeakPolarHBondContact O-CG 3.45Å; S506-L510 PolarHBondContact O-N 3.23Å; I507-L510 PolarHBondContact O-N 3.16Å; L510-P512 WeakPolarHBondContact O-CD 3.35Å; L510-Y559 HydrophobicContact CD1-CD1 4.36Å; L510-Y559 HydrophobicContact CD1-CD2 3.69Å; L510-Y559 HydrophobicContact CD1-CE1 3.97Å; L510-Y559 HydrophobicContact CD1-CE2 3.24Å; L510-Y559 HydrophobicContact CD1-CG 4.22Å
511	Y	80.7	Confident	80.4	Confident	68 Å²	68	54.8 Å²	54.8	27%	0.267	29%	0.288	S	S	.	.	S	Bend	trans	-125.9	62.5	-179.1	-56.7	-82.4	0	0	0	111.8	I507 G513 S514 V515 D555	I507-Y511 HydrophobicContact CG2-CD2 4.33Å; I507-Y511 PolarHBondContact O-N 3.46Å; Y511-G513 PolarHBondContact O-N 3.46Å; Y511-S514 PolarHBondContact O-N 2.91Å; Y511-V515 PolarHBondContact O-N 3Å; Y511-D555 HydrophobicContact CE1-CB 4.08Å
512	P	76.6	Confident	81.2	Confident	100 Å²	100	53.7 Å²	53.7	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	131.3	-176.7	27	-32.7	0	0	0	110.8	L510 S514	L510-P512 WeakPolarHBondContact O-CD 3.35Å; P512-S514 PolarHBondContact O-N 2.9Å
513	G	76.4	Confident	81.6	Confident	62 Å²	62	49.1 Å²	49.1	64%	0.639	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-18.4	-178.7	0	0	0	0	0	115.2	Y511	Y511-G513 PolarHBondContact O-N 3.46Å
514	S	83.6	Confident	82.1	Confident	33 Å²	33	52.3 Å²	52.3	23%	0.231	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-23.4	178.7	-69.7	0	0	0	0	113.6	Y511 P512 V547 D548	Y511-S514 PolarHBondContact O-N 2.91Å; P512-S514 PolarHBondContact O-N 2.9Å; S514-V547 CarbonylContact O-C 3.59Å; S514-V547 WeakPolarHBondContact O-CA 3.46Å; S514-D548 VanDerWaalsContact CA-CG 3.49Å; S514-D548 WeakPolarHBondContact CA-OD2 3.46Å; S514-D548 VanDerWaalsContact CB-CG 3.43Å; S514-D548 WeakPolarHBondContact CB-OD1 3.46Å; S514-D548 WeakPolarHBondContact CB-OD2 3.49Å; S514-D548 PolarHBondContact O-N 3.45Å; S514-D548 PolarHBondContact OG-OD2 3.05Å
515	V	88.1	Confident	82.7	Confident	10 Å²	10	52 Å²	52	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.8	173.4	-179.7	0	0	0	0	109.8	M504 I507 K508 Y511 I545 V547 T552	M504-V515 HydrophobicContact CE-CG1 3.88Å; I507-V515 HydrophobicContact CG2-CB 4.47Å; I507-V515 HydrophobicContact CG2-CG1 4.14Å; I507-V515 HydrophobicContact CG2-CG2 3.94Å; K508-V515 HydrophobicContact CG-CG1 4.22Å; Y511-V515 PolarHBondContact O-N 3Å; V515-I545 HydrophobicContact CG1-CG2 3.9Å; V515-V547 HydrophobicContact CB-CG1 4.5Å; V515-V547 HydrophobicContact CG1-CG1 4.35Å; V515-V547 HydrophobicContact CG2-CG1 3.99Å; V515-T552 HydrophobicContact CG2-CG2 3.88Å
516	Y	84.3	Confident	83	Confident	65 Å²	65	50.8 Å²	50.8	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-40.4	-174.3	-61.7	-73.5	0	0	0	112.5	K508 I546 D548 L573 H604	K508-Y516 WeakPolarHBondContact CE-O 3.39Å; K508-Y516 PolarHBondContact NZ-O 3.35Å; Y516-I546 HydrophobicContact CD2-CG2 4Å; Y516-I546 PolarHBondContact N-O 2.64Å; Y516-D548 HydrophobicContact CE2-CB 3.97Å; Y516-L573 HydrophobicContact CD2-CD1 4.06Å; Y516-L573 HydrophobicContact CE2-CD1 3.67Å; Y516-H604 AromaticContact CD1-CD2 3.91Å; Y516-H604 AromaticContact CD1-NE2 3.23Å; Y516-H604 WeakPolarHBondContact CD1-NE2 3.22Å; Y516-H604 AromaticContact CE1-CD2 3.72Å; Y516-H604 AromaticContact CE1-CE1 3.72Å; Y516-H604 AromaticContact CE1-NE2 3.17Å; Y516-H604 WeakPolarHBondContact CE1-NE2 3.42Å; Y516-H604 AromaticContact CG-NE2 3.97Å; Y516-H604 AromaticContact CZ-CD2 3.9Å; Y516-H604 AromaticContact CZ-NE2 3.85Å
517	G	86.2	Confident	83.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142	-177.7	-177.6	0	0	0	0	0	113.8	I545 I546	G517-I545 WeakPolarHBondContact O-CA 3.41Å; G517-I546 PolarHBondContact O-N 3.32Å
518	R	87.1	Confident	83.2	Confident	51 Å²	51	60.7 Å²	60.7	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	148.6	171.8	-59.8	172.3	-63.3	-176.7	6.7	110.1	I520 D521 L522 A544 I545	R518-I520 VanDerWaalsContact C-N 3.26Å; R518-I520 HydrophobicContact CB-CG2 4.1Å; R518-I520 PolarHBondContact O-N 3.47Å; R518-D521 WeakPolarHBondContact CB-OD2 3.27Å; R518-D521 IonicContact CZ-OD1 3.17Å; R518-D521 IonicContact CZ-OD2 3.86Å; R518-D521 IonicContact NE-OD1 2.92Å; R518-D521 IonicContact NE-OD2 2.8Å; R518-D521 PolarHBondContact NE-OD2 3.04Å; R518-D521 IonicContact NH2-OD1 3.18Å; R518-D521 PolarHBondContact NH2-OD1 3.18Å; R518-D521 IonicContact NH2-OD2 3.9Å; R518-D521 PolarHBondContact NH2-OD2 2.84Å; R518-D521 VanDerWaalsContact NH2-OD2 3.1Å; R518-D521 PolarHBondContact O-N 3.38Å; R518-L522 WeakPolarHBondContact O-CG 2.71Å; R518-L522 PolarHBondContact O-N 3.35Å; R518-A544 CarbonylContact C-O 3.47Å; R518-A544 VanDerWaalsContact CA-O 3.32Å; R518-A544 WeakPolarHBondContact CA-O 3.45Å; R518-I545 HydrophobicContact CG-CG1 4.04Å
519	L	85.4	Confident	83.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-37.4	-179	-169.1	65.8	0	0	0	112.7	D521 L522 C523 L538 N541 A544 I546 L609 A612	L519-D521 VanDerWaalsContact C-N 3.3Å; L519-D521 PolarHBondContact O-N 3.19Å; L519-L522 PolarHBondContact O-N 3.48Å; L519-C523 PolarHBondContact O-N 3.21Å; L519-C523 PolarHBondContact O-SG 3.5Å; L519-L538 HydrophobicContact CD2-CD2 3.93Å; L519-N541 WeakPolarHBondContact CB-O 3.4Å; L519-N541 VanDerWaalsContact CD2-O 3.31Å; L519-N541 WeakPolarHBondContact CD2-O 3.42Å; L519-A544 PolarHBondContact N-O 2.75Å; L519-I546 HydrophobicContact CD1-CD1 3.72Å; L519-L609 HydrophobicContact CD1-CD2 3.94Å; L519-L609 HydrophobicContact CD1-CG 4.05Å; L519-L609 HydrophobicContact CG-CD2 4.46Å; L519-A612 HydrophobicContact CD2-CB 3.96Å
520	I	84.2	Confident	83.7	Confident	11 Å²	11	53.1 Å²	53.1	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-30	175.6	-165.2	171.7	0	0	0	113.9	R518 M542 R665 W666	R518-I520 VanDerWaalsContact C-N 3.26Å; R518-I520 HydrophobicContact CB-CG2 4.1Å; R518-I520 PolarHBondContact O-N 3.47Å; I520-M542 HydrophobicContact CB-CG 3.96Å; I520-M542 WeakPolarHBondContact CB-O 3.49Å; I520-M542 HydrophobicContact CD1-CE 4.16Å; I520-M542 HydrophobicContact CD1-CG 3.95Å; I520-M542 HydrophobicContact CD1-SD 3.94Å; I520-M542 HydrophobicContact CG1-CG 4.15Å; I520-M542 PolarHBondContact N-O 3.07Å; I520-R665 HydrophobicContact CD1-CB 3.89Å; I520-W666 HydrophobicContact CB-CH2 4.28Å; I520-W666 HydrophobicContact CB-CZ3 4.27Å; I520-W666 HydrophobicContact CG1-CD2 4.28Å; I520-W666 HydrophobicContact CG1-CE3 3.82Å; I520-W666 HydrophobicContact CG1-CH2 3.76Å; I520-W666 HydrophobicContact CG1-CZ2 4.2Å; I520-W666 HydrophobicContact CG1-CZ3 3.53Å; I520-W666 WeakPolarHBondContact O-CZ3 3.44Å
521	D	81.8	Confident	84.1	Confident	57 Å²	57	49.9 Å²	49.9	31%	0.305	26%	0.261	S	S	.	.	H	α-helix	trans	-80.5	-23.4	180	-56.6	-36.4	0	0	0	111.5	R518 L519	R518-D521 WeakPolarHBondContact CB-OD2 3.27Å; R518-D521 IonicContact CZ-OD1 3.17Å; R518-D521 IonicContact CZ-OD2 3.86Å; R518-D521 IonicContact NE-OD1 2.92Å; R518-D521 IonicContact NE-OD2 2.8Å; R518-D521 PolarHBondContact NE-OD2 3.04Å; R518-D521 IonicContact NH2-OD1 3.18Å; R518-D521 PolarHBondContact NH2-OD1 3.18Å; R518-D521 IonicContact NH2-OD2 3.9Å; R518-D521 PolarHBondContact NH2-OD2 2.84Å; R518-D521 VanDerWaalsContact NH2-OD2 3.1Å; R518-D521 PolarHBondContact O-N 3.38Å; L519-D521 VanDerWaalsContact C-N 3.3Å; L519-D521 PolarHBondContact O-N 3.19Å
522	L	85	Confident	84.3	Confident	26 Å²	26	48.5 Å²	48.5	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-102.4	-7.2	-169.8	-61.4	172.4	0	0	0	114	R518 L519 I546 Y600 E601 I605	R518-L522 WeakPolarHBondContact O-CG 2.71Å; R518-L522 PolarHBondContact O-N 3.35Å; L519-L522 PolarHBondContact O-N 3.48Å; L522-I546 HydrophobicContact CD1-CB 4.42Å; L522-I546 HydrophobicContact CD1-CD1 3.69Å; L522-I546 HydrophobicContact CD1-CG1 4.2Å; L522-Y600 WeakPolarHBondContact O-CA 3.47Å; L522-E601 PolarHBondContact O-N 3.17Å; L522-E601 VanDerWaalsContact O-N 3.11Å; L522-I605 HydrophobicContact CB-CD1 3.74Å; L522-I605 HydrophobicContact CD1-CG2 4.35Å; L522-I605 WeakPolarHBondContact O-CD1 3.28Å
523	C	84.6	Confident	84.8	Confident	8 Å²	8	43.8 Å²	43.8	5%	0.054	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	165.7	177.8	75	0	0	0	0	112.3	L519 I598 R599 L609 W666	L519-C523 PolarHBondContact O-N 3.21Å; L519-C523 PolarHBondContact O-SG 3.5Å; C523-I598 HydrophobicContact CB-CG2 3.67Å; C523-R599 CarbonylContact C-O 3.42Å; C523-R599 VanDerWaalsContact CA-O 3.24Å; C523-R599 WeakPolarHBondContact CA-O 3.5Å; C523-R599 WeakPolarHBondContact CB-O 3.44Å; C523-L609 HydrophobicContact CB-CD1 4.35Å; C523-L609 HydrophobicContact CB-CD2 4.32Å; C523-W666 WeakPolarHBondContact O-CZ3 3.27Å
524	Q	85.8	Confident	85.3	Confident	90 Å²	90	40.9 Å²	40.9	42%	0.421	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	140.6	176.6	-167.8	176.7	8.8	0	0	110.4	T526 R599	Q524-T526 PolarHBondContact O-N 2.81Å; Q524-R599 PolarHBondContact N-O 3.03Å; Q524-R599 PolarHBondContact O-N 3.37Å
525	P	87.8	Confident	85.5	Confident	10 Å²	10	39.6 Å²	39.6	7%	0.065	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.5	169.8	-23	33.9	0	0	0	111.4	Q527 Q531 V534 V597	P525-Q527 VanDerWaalsContact C-N 3.25Å; P525-Q527 PolarHBondContact O-N 3.42Å; P525-Q531 HydrophobicContact CB-CG 4.31Å; P525-Q531 HydrophobicContact CG-CG 4.06Å; P525-V534 HydrophobicContact CB-CG2 4.33Å; P525-V534 HydrophobicContact CG-CB 4.08Å; P525-V534 HydrophobicContact CG-CG1 4.07Å; P525-V534 HydrophobicContact CG-CG2 4.28Å; P525-V597 WeakPolarHBondContact CA-O 3.31Å
526	T	85.8	Confident	85.5	Confident	77 Å²	77	40.9 Å²	40.9	47%	0.472	19%	0.193	S	C	.	.	S	Bend	trans	-65.8	-28.1	-178.3	52	0	0	0	0	113.1	Q524 V597 R599	Q524-T526 PolarHBondContact O-N 2.81Å; T526-V597 PolarHBondContact N-O 3.2Å; T526-V597 PolarHBondContact OG1-O 2.86Å; T526-R599 HydrophobicContact CG2-CB 4.29Å
527	Q	83.3	Confident	85.6	Confident	103 Å²	103	38.1 Å²	38.1	48%	0.481	18%	0.183	S	C	.	.	S	Bend	trans	-139.7	147.7	178.4	-60.5	-179.2	-2.2	0	0	110.8	P525 K529 Y530	P525-Q527 VanDerWaalsContact C-N 3.25Å; P525-Q527 PolarHBondContact O-N 3.42Å; Q527-K529 HydrophobicContact CB-CG 4.23Å; Q527-K529 PolarHBondContact O-N 3.5Å; Q527-K529 VanDerWaalsContact OE1-CE 3.24Å; Q527-Y530 HydrophobicContact CB-CD2 3.82Å; Q527-Y530 HydrophobicContact CB-CE2 3.96Å; Q527-Y530 HydrophobicContact CG-CD2 4.5Å; Q527-Y530 HydrophobicContact CG-CE2 4.25Å; Q527-Y530 PolarHBondContact O-N 3.15Å
528	K	81.6	Confident	85.6	Confident	150 Å²	150	38.2 Å²	38.2	65%	0.652	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-56.8	-34.9	-177.4	-159.4	170.3	-174.3	166.5	0	112.9	Y530 Q531	K528-Y530 PolarHBondContact O-N 3.1Å; K528-Y530 VanDerWaalsContact O-N 3.15Å; K528-Q531 WeakPolarHBondContact O-CB 3.45Å; K528-Q531 WeakPolarHBondContact O-CG 3.41Å; K528-Q531 PolarHBondContact O-N 3Å; K528-Q531 VanDerWaalsContact O-N 3.1Å
529	K	84.5	Confident	85.5	Confident	92 Å²	92	37.6 Å²	37.6	40%	0.4	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.9	178.7	71.6	179.8	-168.2	169.5	0	114.1	Q527 E620	Q527-K529 HydrophobicContact CB-CG 4.23Å; Q527-K529 PolarHBondContact O-N 3.5Å; Q527-K529 VanDerWaalsContact OE1-CE 3.24Å; K529-E620 IonicContact NZ-OE1 3.88Å
530	Y	87.2	Confident	85.2	Confident	12 Å²	12	46.9 Å²	46.9	5%	0.047	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-90.6	-5.4	-179.8	-56.2	-58.2	0	0	0	113.8	Q527 K528 I532 A533 V534 V597 V618 L641	Q527-Y530 HydrophobicContact CB-CD2 3.82Å; Q527-Y530 HydrophobicContact CB-CE2 3.96Å; Q527-Y530 HydrophobicContact CG-CD2 4.5Å; Q527-Y530 HydrophobicContact CG-CE2 4.25Å; Q527-Y530 PolarHBondContact O-N 3.15Å; K528-Y530 PolarHBondContact O-N 3.1Å; K528-Y530 VanDerWaalsContact O-N 3.15Å; Y530-I532 PolarHBondContact O-N 3.37Å; Y530-A533 PolarHBondContact O-N 3.05Å; Y530-V534 WeakPolarHBondContact O-CB 3.35Å; Y530-V534 VanDerWaalsContact O-CG2 3.29Å; Y530-V534 WeakPolarHBondContact O-CG2 3.5Å; Y530-V534 PolarHBondContact O-N 3.31Å; Y530-V597 HydrophobicContact CD2-CB 3.92Å; Y530-V597 HydrophobicContact CD2-CG1 4.15Å; Y530-V597 HydrophobicContact CE1-CG1 4.42Å; Y530-V597 HydrophobicContact CE2-CB 4.22Å; Y530-V597 HydrophobicContact CE2-CG1 3.96Å; Y530-V597 HydrophobicContact CG-CB 4.2Å; Y530-V597 HydrophobicContact CG-CG1 4.47Å; Y530-V597 HydrophobicContact CG-CG2 4.33Å; Y530-V618 HydrophobicContact CD1-CG1 4.36Å; Y530-V618 HydrophobicContact CD1-CG2 4.05Å; Y530-V618 HydrophobicContact CE1-CG1 4.33Å; Y530-V618 HydrophobicContact CE1-CG2 4.44Å; Y530-L641 HydrophobicContact CD1-CD2 3.61Å; Y530-L641 HydrophobicContact CE1-CD2 3.95Å
531	Q	86.1	Confident	85.3	Confident	23 Å²	23	48.2 Å²	48.2	11%	0.107	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-47.4	-174.3	-78.5	177.7	-25.6	0	0	112.6	P525 K528 T535	P525-Q531 HydrophobicContact CB-CG 4.31Å; P525-Q531 HydrophobicContact CG-CG 4.06Å; K528-Q531 WeakPolarHBondContact O-CB 3.45Å; K528-Q531 WeakPolarHBondContact O-CG 3.41Å; K528-Q531 PolarHBondContact O-N 3Å; K528-Q531 VanDerWaalsContact O-N 3.1Å; Q531-T535 VanDerWaalsContact O-CB 3.26Å; Q531-T535 WeakPolarHBondContact O-CB 3.35Å; Q531-T535 PolarHBondContact O-N 3.08Å; Q531-T535 PolarHBondContact O-OG1 3.06Å
532	I	85.4	Confident	85.3	Confident	38 Å²	38	45.8 Å²	45.8	20%	0.195	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-46.4	-178	-61.1	177.3	0	0	0	110.3	Y530 T535 K536 L659 K660 A663	Y530-I532 PolarHBondContact O-N 3.37Å; I532-T535 PolarHBondContact O-N 2.88Å; I532-K536 PolarHBondContact O-N 3.38Å; I532-L659 HydrophobicContact CG2-CD2 3.78Å; I532-L659 WeakPolarHBondContact O-CD2 3.49Å; I532-K660 HydrophobicContact CD1-CG 4.01Å; I532-A663 HydrophobicContact CG1-CB 4.32Å
533	A	86.6	Confident	85.3	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-44.7	178.2	0	0	0	0	0	112.7	Y530 K536 V537 V618 V639	Y530-A533 PolarHBondContact O-N 3.05Å; A533-K536 WeakPolarHBondContact O-CB 3.35Å; A533-K536 PolarHBondContact O-N 3.42Å; A533-V537 WeakPolarHBondContact O-CG2 3.15Å; A533-V537 PolarHBondContact O-N 2.79Å; A533-V537 VanDerWaalsContact O-N 3.09Å; A533-V618 HydrophobicContact CB-CG2 3.76Å; A533-V639 HydrophobicContact CB-CG1 3.95Å; A533-V639 HydrophobicContact CB-CG2 4.12Å
534	V	87.9	Confident	85.5	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-44.5	177.6	171.3	0	0	0	0	110.9	P525 Y530 K536 V537 L538 V594 V597 I598	P525-V534 HydrophobicContact CB-CG2 4.33Å; P525-V534 HydrophobicContact CG-CB 4.08Å; P525-V534 HydrophobicContact CG-CG1 4.07Å; P525-V534 HydrophobicContact CG-CG2 4.28Å; Y530-V534 WeakPolarHBondContact O-CB 3.35Å; Y530-V534 VanDerWaalsContact O-CG2 3.29Å; Y530-V534 WeakPolarHBondContact O-CG2 3.5Å; Y530-V534 PolarHBondContact O-N 3.31Å; V534-K536 VanDerWaalsContact C-N 3.26Å; V534-K536 PolarHBondContact O-N 3.34Å; V534-V537 PolarHBondContact O-N 3.37Å; V534-V537 VanDerWaalsContact O-N 3.11Å; V534-L538 HydrophobicContact CG1-CD1 3.76Å; V534-L538 HydrophobicContact CG1-CG 4.15Å; V534-L538 WeakPolarHBondContact O-CG 3.49Å; V534-L538 PolarHBondContact O-N 2.92Å; V534-V594 HydrophobicContact CG2-CG1 4.27Å; V534-V597 HydrophobicContact CG2-CG2 4.09Å; V534-I598 HydrophobicContact CG1-CD1 3.72Å; V534-I598 HydrophobicContact CG1-CG1 3.89Å; V534-I598 HydrophobicContact CG2-CD1 4.35Å; V534-I598 HydrophobicContact CG2-CG1 4.01Å
535	T	87.3	Confident	85.6	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.043	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-40.8	176.1	-54.7	0	0	0	0	110.9	Q531 I532 V537 G539 M542 K662 W666	Q531-T535 VanDerWaalsContact O-CB 3.26Å; Q531-T535 WeakPolarHBondContact O-CB 3.35Å; Q531-T535 PolarHBondContact O-N 3.08Å; Q531-T535 PolarHBondContact O-OG1 3.06Å; I532-T535 PolarHBondContact O-N 2.88Å; T535-V537 PolarHBondContact O-N 2.93Å; T535-G539 PolarHBondContact O-N 3.34Å; T535-M542 HydrophobicContact CG2-SD 3.93Å; T535-K662 HydrophobicContact CG2-CB 4.03Å; T535-W666 PolarHBondContact OG1-NE1 3.43Å
536	K	87.4	Confident	85.7	Confident	36 Å²	36	42 Å²	42	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-42.5	175.9	-166.5	65.5	177.4	179.3	0	112.6	I532 A533 V534 V639 G643 L645 S653 L659	I532-K536 PolarHBondContact O-N 3.38Å; A533-K536 WeakPolarHBondContact O-CB 3.35Å; A533-K536 PolarHBondContact O-N 3.42Å; V534-K536 VanDerWaalsContact C-N 3.26Å; V534-K536 PolarHBondContact O-N 3.34Å; K536-V639 HydrophobicContact CB-CG2 4.14Å; K536-V639 HydrophobicContact CG-CG2 4.25Å; K536-G643 WeakPolarHBondContact CD-O 3.35Å; K536-G643 WeakPolarHBondContact CE-O 3.01Å; K536-G643 WeakPolarHBondContact CG-O 3.45Å; K536-L645 HydrophobicContact CG-CB 3.87Å; K536-L645 HydrophobicContact CG-CD2 4.41Å; K536-S653 WeakPolarHBondContact CE-OG 3.27Å; K536-S653 PolarHBondContact NZ-OG 3.28Å; K536-L659 HydrophobicContact CB-CD2 3.64Å; K536-L659 HydrophobicContact CD-CD1 3.64Å; K536-L659 HydrophobicContact CD-CD2 3.65Å; K536-L659 HydrophobicContact CD-CG 4.29Å; K536-L659 HydrophobicContact CG-CD2 4.16Å
537	V	87.6	Confident	86	Confident	8 Å²	8	38.3 Å²	38.3	5%	0.048	19%	0.187	C	C	.	.	H	α-helix	trans	-74.9	-41.4	-174.5	170.1	0	0	0	0	111.7	A533 V534 T535 V594 C613 A616 V639 L645	A533-V537 WeakPolarHBondContact O-CG2 3.15Å; A533-V537 PolarHBondContact O-N 2.79Å; A533-V537 VanDerWaalsContact O-N 3.09Å; V534-V537 PolarHBondContact O-N 3.37Å; V534-V537 VanDerWaalsContact O-N 3.11Å; T535-V537 PolarHBondContact O-N 2.93Å; V537-V594 HydrophobicContact CB-CG1 4.14Å; V537-V594 HydrophobicContact CG1-CB 4.38Å; V537-V594 HydrophobicContact CG1-CG1 3.89Å; V537-V594 HydrophobicContact CG1-CG2 4.45Å; V537-V594 HydrophobicContact CG2-CG1 4.39Å; V537-V594 HydrophobicContact CG2-CG2 4.08Å; V537-C613 HydrophobicContact CG1-CB 4.35Å; V537-A616 HydrophobicContact CG1-CB 3.83Å; V537-A616 HydrophobicContact CG2-CB 4.29Å; V537-V639 HydrophobicContact CG2-CB 3.98Å; V537-V639 HydrophobicContact CG2-CG1 3.61Å; V537-V639 HydrophobicContact CG2-CG2 4.33Å; V537-L645 HydrophobicContact CG2-CD1 4.32Å
538	L	86.4	Confident	86.3	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-36.6	175.9	-66.1	178.9	0	0	0	111.6	L519 V534 K540 N541 M542 L609 A612 W666	L519-L538 HydrophobicContact CD2-CD2 3.93Å; V534-L538 HydrophobicContact CG1-CD1 3.76Å; V534-L538 HydrophobicContact CG1-CG 4.15Å; V534-L538 WeakPolarHBondContact O-CG 3.49Å; V534-L538 PolarHBondContact O-N 2.92Å; L538-K540 PolarHBondContact O-N 3.44Å; L538-N541 WeakPolarHBondContact O-CB 3.22Å; L538-N541 PolarHBondContact O-N 3.01Å; L538-M542 HydrophobicContact CB-CB 4.21Å; L538-L609 HydrophobicContact CD2-CD2 4.46Å; L538-A612 HydrophobicContact CD2-CB 3.86Å; L538-W666 HydrophobicContact CD1-CH2 4.03Å; L538-W666 HydrophobicContact CD1-CZ2 3.99Å
539	G	84.3	Confident	86.6	Confident	38 Å²	38	29.6 Å²	29.6	39%	0.392	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	52.9	-126.6	172.3	0	0	0	0	0	112.6	T535 N541 M542	T535-G539 PolarHBondContact O-N 3.34Å; G539-N541 PolarHBondContact O-N 3.19Å; G539-M542 VanDerWaalsContact O-CB 3.28Å; G539-M542 WeakPolarHBondContact O-CB 3.27Å; G539-M542 PolarHBondContact O-N 3.1Å
540	K	78.9	Confident	86.8	Confident	194 Å²	194	28 Å²	28	84%	0.843	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-65.7	-23.9	178.8	-64.3	-174.2	179.5	-176.3	0	113.4	L538 M542	L538-K540 PolarHBondContact O-N 3.44Å; K540-M542 PolarHBondContact O-N 3.34Å
541	N	85.5	Confident	86.9	Confident	39 Å²	39	34.7 Å²	34.7	21%	0.209	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-77	-7.7	-180	-62.9	-23.9	0	0	0	112.7	L519 L538 G539 D543 A544 A612	L519-N541 WeakPolarHBondContact CB-O 3.4Å; L519-N541 VanDerWaalsContact CD2-O 3.31Å; L519-N541 WeakPolarHBondContact CD2-O 3.42Å; L538-N541 WeakPolarHBondContact O-CB 3.22Å; L538-N541 PolarHBondContact O-N 3.01Å; G539-N541 PolarHBondContact O-N 3.19Å; N541-D543 VanDerWaalsContact C-N 3.27Å; N541-D543 PolarHBondContact O-N 2.97Å; N541-A544 WeakPolarHBondContact O-CB 3.39Å; N541-A544 PolarHBondContact O-N 3.05Å; N541-A612 HydrophobicContact CB-CB 4.02Å
542	M	83.4	Confident	87	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.03	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.3	-38.9	177.1	-173	177.5	74.8	0	0	112.2	I520 T535 L538 G539 K540 W666	I520-M542 HydrophobicContact CB-CG 3.96Å; I520-M542 WeakPolarHBondContact CB-O 3.49Å; I520-M542 HydrophobicContact CD1-CE 4.16Å; I520-M542 HydrophobicContact CD1-CG 3.95Å; I520-M542 HydrophobicContact CD1-SD 3.94Å; I520-M542 HydrophobicContact CG1-CG 4.15Å; I520-M542 PolarHBondContact N-O 3.07Å; T535-M542 HydrophobicContact CG2-SD 3.93Å; L538-M542 HydrophobicContact CB-CB 4.21Å; G539-M542 VanDerWaalsContact O-CB 3.28Å; G539-M542 WeakPolarHBondContact O-CB 3.27Å; G539-M542 PolarHBondContact O-N 3.1Å; K540-M542 PolarHBondContact O-N 3.34Å; M542-W666 HydrophobicContact CG-CZ2 4.39Å; M542-W666 HydrophobicContact SD-CZ2 4.26Å
543	D	83.9	Confident	87.1	Confident	49 Å²	49	32.5 Å²	32.5	26%	0.262	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-93.6	2.9	178.8	-70.5	-51.3	0	0	0	113	N541 R665	N541-D543 VanDerWaalsContact C-N 3.27Å; N541-D543 PolarHBondContact O-N 2.97Å; D543-R665 IonicContact OD1-CZ 3.79Å; D543-R665 IonicContact OD1-NH1 3.32Å; D543-R665 PolarHBondContact OD1-NH1 2.89Å; D543-R665 VanDerWaalsContact OD1-NH1 3.08Å; D543-R665 IonicContact OD1-NH2 3.95Å; D543-R665 PolarHBondContact OD1-NH2 3.4Å; D543-R665 IonicContact OD2-CZ 2.6Å; D543-R665 IonicContact OD2-NH1 3.02Å; D543-R665 PolarHBondContact OD2-NH1 3.41Å; D543-R665 IonicContact OD2-NH2 2.65Å
544	A	88.3	Confident	87.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-69.1	139	-178.3	0	0	0	0	0	112.2	R518 L519 N541 T569 L571	R518-A544 CarbonylContact C-O 3.47Å; R518-A544 VanDerWaalsContact CA-O 3.32Å; R518-A544 WeakPolarHBondContact CA-O 3.45Å; L519-A544 PolarHBondContact N-O 2.75Å; N541-A544 WeakPolarHBondContact O-CB 3.39Å; N541-A544 PolarHBondContact O-N 3.05Å; A544-T569 CarbonylContact C-O 3.56Å; A544-T569 VanDerWaalsContact CA-O 3.29Å; A544-T569 WeakPolarHBondContact CA-O 3.37Å; A544-T569 HydrophobicContact CB-CG2 4.1Å; A544-L571 HydrophobicContact CB-CD1 3.88Å; A544-L571 HydrophobicContact CB-CG 4.02Å
545	I	89.5	Confident	87.1	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.7	-178.1	-61.2	166.2	0	0	0	109.7	M504 V515 G517 R518 V547 E568 T569 F570 L571	M504-I545 HydrophobicContact CE-CD1 4.49Å; M504-I545 HydrophobicContact CE-CG1 4.22Å; M504-I545 HydrophobicContact CE-CG2 3.77Å; M504-I545 HydrophobicContact SD-CD1 3.64Å; M504-I545 HydrophobicContact SD-CG1 3.92Å; M504-I545 HydrophobicContact SD-CG2 4.27Å; V515-I545 HydrophobicContact CG1-CG2 3.9Å; G517-I545 WeakPolarHBondContact O-CA 3.41Å; R518-I545 HydrophobicContact CG-CG1 4.04Å; I545-V547 HydrophobicContact CG2-CG1 4.19Å; I545-E568 HydrophobicContact CD1-CB 4.14Å; I545-E568 HydrophobicContact CD1-CG 4.49Å; I545-T569 PolarHBondContact N-O 3.32Å; I545-F570 HydrophobicContact CB-CD1 3.76Å; I545-F570 HydrophobicContact CB-CE1 3.85Å; I545-F570 HydrophobicContact CB-CG 4.47Å; I545-F570 HydrophobicContact CD1-CD1 4.45Å; I545-F570 HydrophobicContact CD1-CE1 3.76Å; I545-F570 HydrophobicContact CD1-CE2 4.49Å; I545-F570 HydrophobicContact CD1-CZ 3.79Å; I545-F570 HydrophobicContact CG1-CE1 4.41Å; I545-F570 HydrophobicContact CG2-CD1 3.84Å; I545-F570 HydrophobicContact CG2-CE1 3.76Å; I545-F570 CarbonylContact O-C 3.59Å; I545-F570 VanDerWaalsContact O-CA 3.31Å; I545-F570 WeakPolarHBondContact O-CA 3.34Å; I545-L571 PolarHBondContact O-N 2.93Å
546	I	89.8	Confident	87.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128	178.4	-49	-177.7	0	0	0	109.5	Y516 G517 L519 L522 L573 I605 A608	Y516-I546 HydrophobicContact CD2-CG2 4Å; Y516-I546 PolarHBondContact N-O 2.64Å; G517-I546 PolarHBondContact O-N 3.32Å; L519-I546 HydrophobicContact CD1-CD1 3.72Å; L522-I546 HydrophobicContact CD1-CB 4.42Å; L522-I546 HydrophobicContact CD1-CD1 3.69Å; L522-I546 HydrophobicContact CD1-CG1 4.2Å; I546-L573 HydrophobicContact CG2-CD1 3.9Å; I546-L573 HydrophobicContact CG2-CD2 3.78Å; I546-L573 HydrophobicContact CG2-CG 3.72Å; I546-I605 HydrophobicContact CD1-CB 3.91Å; I546-I605 HydrophobicContact CD1-CG2 3.87Å; I546-A608 HydrophobicContact CD1-CB 3.87Å; I546-A608 HydrophobicContact CG1-CB 4.33Å; I546-A608 HydrophobicContact CG2-CB 4.49Å
547	V	91.1	Very high	87	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.7	177.3	-57.6	0	0	0	0	110.4	S514 V515 I545 S549 T552 F570 L571 P572 L573	S514-V547 CarbonylContact O-C 3.59Å; S514-V547 WeakPolarHBondContact O-CA 3.46Å; V515-V547 HydrophobicContact CB-CG1 4.5Å; V515-V547 HydrophobicContact CG1-CG1 4.35Å; V515-V547 HydrophobicContact CG2-CG1 3.99Å; I545-V547 HydrophobicContact CG2-CG1 4.19Å; V547-S549 WeakPolarHBondContact CG2-O 3.32Å; V547-T552 HydrophobicContact CB-CG2 4.24Å; V547-T552 HydrophobicContact CG1-CG2 4.45Å; V547-F570 HydrophobicContact CG1-CD1 3.91Å; V547-F570 HydrophobicContact CG1-CE1 4.48Å; V547-L571 PolarHBondContact N-O 3.11Å; V547-L571 VanDerWaalsContact N-O 3.09Å; V547-P572 HydrophobicContact CG2-CB 3.95Å; V547-P572 HydrophobicContact CG2-CG 4.26Å; V547-P572 WeakPolarHBondContact O-CA 3.26Å; V547-L573 WeakPolarHBondContact O-CG 3.48Å; V547-L573 PolarHBondContact O-N 3.24Å
548	D	88.9	Confident	86.8	Confident	45 Å²	45	48.3 Å²	48.3	24%	0.241	24%	0.236	C	C	.	.	S	Bend	trans	-67.9	-44.4	179.7	63.1	-12.9	0	0	0	112.9	S514 Y516 T552 L573 D574	S514-D548 VanDerWaalsContact CA-CG 3.49Å; S514-D548 WeakPolarHBondContact CA-OD2 3.46Å; S514-D548 VanDerWaalsContact CB-CG 3.43Å; S514-D548 WeakPolarHBondContact CB-OD1 3.46Å; S514-D548 WeakPolarHBondContact CB-OD2 3.49Å; S514-D548 PolarHBondContact O-N 3.45Å; S514-D548 PolarHBondContact OG-OD2 3.05Å; Y516-D548 HydrophobicContact CE2-CB 3.97Å; D548-T552 VanDerWaalsContact OD1-CB 3.23Å; D548-T552 WeakPolarHBondContact OD1-CB 3.38Å; D548-T552 PolarHBondContact OD1-OG1 2.94Å; D548-L573 PolarHBondContact O-N 3.09Å; D548-D574 PolarHBondContact O-N 3.04Å
549	S	88.8	Confident	86.7	Confident	25 Å²	25	50.3 Å²	50.3	18%	0.175	24%	0.244	C	C	.	.			trans	-133.7	155.2	-171.7	80	0	0	0	0	115.6	V547 K551 T552 G553 D574	V547-S549 WeakPolarHBondContact CG2-O 3.32Å; S549-K551 PolarHBondContact O-N 3.3Å; S549-T552 PolarHBondContact O-N 2.95Å; S549-T552 PolarHBondContact OG-N 3.49Å; S549-T552 VanDerWaalsContact OG-N 3.15Å; S549-T552 PolarHBondContact OG-OG1 3.47Å; S549-G553 PolarHBondContact O-N 3.33Å; S549-D574 VanDerWaalsContact CA-OD1 3.25Å; S549-D574 WeakPolarHBondContact CA-OD1 3.35Å; S549-D574 VanDerWaalsContact CA-OD2 3.25Å; S549-D574 WeakPolarHBondContact CA-OD2 3.25Å; S549-D574 VanDerWaalsContact CB-OD2 3.26Å; S549-D574 WeakPolarHBondContact CB-OD2 3.28Å
550	E	88.9	Confident	86.7	Confident	60 Å²	60	49 Å²	49	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-57.4	-38.4	174.5	-164.2	-156.5	162.4	0	0	111.4	G553 R554 P572 D574	E550-G553 PolarHBondContact O-N 2.91Å; E550-R554 PolarHBondContact O-N 3.06Å; E550-R554 IonicContact OE1-CZ 3.82Å; E550-R554 IonicContact OE1-NE 3.85Å; E550-R554 PolarHBondContact OE1-NE 3.03Å; E550-R554 IonicContact OE1-NH2 2.9Å; E550-R554 PolarHBondContact OE1-NH2 2.97Å; E550-R554 IonicContact OE2-NH2 3.09Å; E550-P572 HydrophobicContact CB-CB 4.45Å; E550-D574 PolarHBondContact N-OD1 3.39Å; E550-D574 PolarHBondContact N-OD2 3.21Å
551	K	87.9	Confident	86.7	Confident	151 Å²	151	46.5 Å²	46.5	66%	0.657	22%	0.217	S	C	*	.	H	α-helix	trans	-60.9	-50.3	177.8	-173.6	-177.6	177.2	-174.8	0	111	S549 G553 R554 D555	S549-K551 PolarHBondContact O-N 3.3Å; K551-G553 VanDerWaalsContact C-N 3.25Å; K551-G553 PolarHBondContact O-N 3.04Å; K551-R554 PolarHBondContact O-N 3.3Å; K551-R554 VanDerWaalsContact O-N 3.15Å; K551-D555 PolarHBondContact O-N 2.92Å
552	T	88.8	Confident	86.5	Confident	12 Å²	12	50.3 Å²	50.3	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-41.3	175.7	-51	0	0	0	0	111.1	V515 V547 D548 S549 D555 C556	V515-T552 HydrophobicContact CG2-CG2 3.88Å; V547-T552 HydrophobicContact CB-CG2 4.24Å; V547-T552 HydrophobicContact CG1-CG2 4.45Å; D548-T552 VanDerWaalsContact OD1-CB 3.23Å; D548-T552 WeakPolarHBondContact OD1-CB 3.38Å; D548-T552 PolarHBondContact OD1-OG1 2.94Å; S549-T552 PolarHBondContact O-N 2.95Å; S549-T552 PolarHBondContact OG-N 3.49Å; S549-T552 VanDerWaalsContact OG-N 3.15Å; S549-T552 PolarHBondContact OG-OG1 3.47Å; T552-D555 PolarHBondContact O-N 3.41Å; T552-C556 WeakPolarHBondContact O-CB 3.19Å; T552-C556 PolarHBondContact O-N 3.5Å; T552-C556 PolarHBondContact O-SG 2.76Å
553	G	87.4	Confident	86.2	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-45.9	176.2	0	0	0	0	0	113.1	S549 E550 K551 C556 I557	S549-G553 PolarHBondContact O-N 3.33Å; E550-G553 PolarHBondContact O-N 2.91Å; K551-G553 VanDerWaalsContact C-N 3.25Å; K551-G553 PolarHBondContact O-N 3.04Å; G553-C556 PolarHBondContact O-N 2.86Å; G553-I557 WeakPolarHBondContact O-CD1 3.43Å; G553-I557 VanDerWaalsContact O-CG1 3.25Å; G553-I557 WeakPolarHBondContact O-CG1 3.48Å; G553-I557 PolarHBondContact O-N 3.2Å
554	R	87.3	Confident	85.9	Confident	161 Å²	161	62.6 Å²	62.6	61%	0.608	28%	0.28	S	S	*	.	H	α-helix	trans	-63.8	-42.5	177.1	-69.7	-179.2	-174.3	-173	1	112	E550 K551 I557 Q558	E550-R554 PolarHBondContact O-N 3.06Å; E550-R554 IonicContact OE1-CZ 3.82Å; E550-R554 IonicContact OE1-NE 3.85Å; E550-R554 PolarHBondContact OE1-NE 3.03Å; E550-R554 IonicContact OE1-NH2 2.9Å; E550-R554 PolarHBondContact OE1-NH2 2.97Å; E550-R554 IonicContact OE2-NH2 3.09Å; K551-R554 PolarHBondContact O-N 3.3Å; K551-R554 VanDerWaalsContact O-N 3.15Å; R554-I557 PolarHBondContact O-N 2.99Å; R554-Q558 PolarHBondContact O-N 3.34Å
555	D	87.4	Confident	84.8	Confident	64 Å²	64	63.6 Å²	63.6	34%	0.342	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-42	178.6	-67.4	-12.8	0	0	0	111.1	Y511 K551 T552 Q558 Y559	Y511-D555 HydrophobicContact CE1-CB 4.08Å; K551-D555 PolarHBondContact O-N 2.92Å; T552-D555 PolarHBondContact O-N 3.41Å; D555-Q558 PolarHBondContact O-N 3.17Å; D555-Y559 PolarHBondContact O-N 2.68Å
556	C	86.9	Confident	84.1	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-40.4	174.3	-66.1	0	0	0	0	112.5	I507 T552 G553 Q558 Y559 I560 F570	I507-C556 HydrophobicContact CG2-CB 4.18Å; I507-C556 WeakPolarHBondContact CG2-SG 3.33Å; T552-C556 WeakPolarHBondContact O-CB 3.19Å; T552-C556 PolarHBondContact O-N 3.5Å; T552-C556 PolarHBondContact O-SG 2.76Å; G553-C556 PolarHBondContact O-N 2.86Å; C556-Q558 VanDerWaalsContact C-N 3.33Å; C556-Y559 PolarHBondContact O-N 3.23Å; C556-I560 WeakPolarHBondContact O-CG1 3.29Å; C556-I560 PolarHBondContact O-N 3.21Å; C556-F570 HydrophobicContact CB-CD1 4.26Å; C556-F570 HydrophobicContact CB-CE1 3.46Å; C556-F570 VanDerWaalsContact CB-CE1 3.46Å; C556-F570 HydrophobicContact CB-CZ 3.7Å
557	I	85.8	Confident	83.5	Confident	64 Å²	64	72.4 Å²	72.4	33%	0.328	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-41.6	176	-70.3	164.1	0	0	0	110.8	G553 R554 I560 K561 F570	G553-I557 WeakPolarHBondContact O-CD1 3.43Å; G553-I557 VanDerWaalsContact O-CG1 3.25Å; G553-I557 WeakPolarHBondContact O-CG1 3.48Å; G553-I557 PolarHBondContact O-N 3.2Å; R554-I557 PolarHBondContact O-N 2.99Å; I557-I560 PolarHBondContact O-N 3.23Å; I557-K561 HydrophobicContact CG2-CD 4.35Å; I557-K561 WeakPolarHBondContact O-CG 3.39Å; I557-K561 PolarHBondContact O-N 3.15Å; I557-F570 HydrophobicContact CD1-CD2 3.91Å; I557-F570 HydrophobicContact CD1-CE2 4.41Å; I557-F570 HydrophobicContact CG1-CD2 3.46Å; I557-F570 VanDerWaalsContact CG1-CD2 3.46Å; I557-F570 HydrophobicContact CG1-CE2 3.47Å; I557-F570 VanDerWaalsContact CG1-CE2 3.47Å; I557-F570 HydrophobicContact CG1-CG 4.33Å; I557-F570 HydrophobicContact CG1-CZ 4.34Å
558	Q	84.4	Confident	83.2	Confident	96 Å²	96	74.9 Å²	74.9	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.9	-177.7	58.6	28.3	0	0	111	R554 D555 C556 I560 K561 E562	R554-Q558 PolarHBondContact O-N 3.34Å; D555-Q558 PolarHBondContact O-N 3.17Å; C556-Q558 VanDerWaalsContact C-N 3.33Å; Q558-I560 PolarHBondContact O-N 3.2Å; Q558-K561 WeakPolarHBondContact O-CB 3.36Å; Q558-K561 PolarHBondContact O-N 3.44Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.41Å; Q558-E562 PolarHBondContact NE2-OE1 3.2Å; Q558-E562 WeakPolarHBondContact O-CG 3.49Å; Q558-E562 PolarHBondContact O-N 3.5Å
559	Y	84.1	Confident	83.2	Confident	44 Å²	44	76.1 Å²	76.1	17%	0.173	36%	0.363	C	S	.	.	H	α-helix	trans	-60.7	-43.6	175.1	-178.5	-98	0	0	0	112.9	S506 I507 L510 D555 C556 K561 E562 Q563	S506-Y559 WeakPolarHBondContact CB-OH 3.37Å; I507-Y559 HydrophobicContact CD1-CD1 4.03Å; I507-Y559 HydrophobicContact CG1-CD1 3.44Å; I507-Y559 VanDerWaalsContact CG1-CD1 3.44Å; I507-Y559 HydrophobicContact CG1-CE1 3.75Å; I507-Y559 HydrophobicContact CG1-CG 4.47Å; L510-Y559 HydrophobicContact CD1-CD1 4.36Å; L510-Y559 HydrophobicContact CD1-CD2 3.69Å; L510-Y559 HydrophobicContact CD1-CE1 3.97Å; L510-Y559 HydrophobicContact CD1-CE2 3.24Å; L510-Y559 HydrophobicContact CD1-CG 4.22Å; D555-Y559 PolarHBondContact O-N 2.68Å; C556-Y559 PolarHBondContact O-N 3.23Å; Y559-K561 VanDerWaalsContact C-N 3.32Å; Y559-K561 PolarHBondContact O-N 3.02Å; Y559-E562 PolarHBondContact O-N 2.97Å; Y559-Q563 HydrophobicContact CD1-CG 4.4Å; Y559-Q563 HydrophobicContact CE1-CG 3.98Å; Y559-Q563 HydrophobicContact CE2-CG 4.24Å; Y559-Q563 WeakPolarHBondContact O-CG 3.36Å; Y559-Q563 PolarHBondContact O-N 2.93Å; Y559-Q563 VanDerWaalsContact O-N 3.09Å
560	I	83.3	Confident	83.2	Confident	11 Å²	11	76.1 Å²	76.1	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-42.2	175.8	-70.3	-178.1	0	0	0	111.1	I503 I507 C556 I557 Q558 E562 Q563 R564 G565 E566 E568 F570	I503-I560 HydrophobicContact CG2-CG1 4Å; I507-I560 HydrophobicContact CD1-CD1 3.8Å; I507-I560 HydrophobicContact CD1-CG1 3.57Å; C556-I560 WeakPolarHBondContact O-CG1 3.29Å; C556-I560 PolarHBondContact O-N 3.21Å; I557-I560 PolarHBondContact O-N 3.23Å; Q558-I560 PolarHBondContact O-N 3.2Å; I560-E562 PolarHBondContact O-N 2.82Å; I560-Q563 PolarHBondContact O-N 2.8Å; I560-R564 PolarHBondContact O-N 3.36Å; I560-G565 PolarHBondContact O-N 3.09Å; I560-E566 VanDerWaalsContact CG2-O 3.29Å; I560-E566 WeakPolarHBondContact CG2-O 3.33Å; I560-E568 HydrophobicContact CD1-CB 4.14Å; I560-E568 HydrophobicContact CD1-CG 4.23Å; I560-F570 HydrophobicContact CD1-CE2 3.9Å; I560-F570 HydrophobicContact CD1-CZ 3.57Å
561	K	79.5	Confident	83.3	Confident	141 Å²	141	73.7 Å²	73.7	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-62.5	-41.2	177.3	-74.4	175.9	178.9	179.2	0	112.1	I557 Q558 Y559 Q563 R564	I557-K561 HydrophobicContact CG2-CD 4.35Å; I557-K561 WeakPolarHBondContact O-CG 3.39Å; I557-K561 PolarHBondContact O-N 3.15Å; Q558-K561 WeakPolarHBondContact O-CB 3.36Å; Q558-K561 PolarHBondContact O-N 3.44Å; Y559-K561 VanDerWaalsContact C-N 3.32Å; Y559-K561 PolarHBondContact O-N 3.02Å; K561-Q563 VanDerWaalsContact C-N 3.34Å; K561-Q563 PolarHBondContact O-N 3.28Å; K561-R564 PolarHBondContact O-N 3.09Å; K561-R564 VanDerWaalsContact O-N 3.15Å
562	E	80.8	Confident	83.4	Confident	120 Å²	120	67.5 Å²	67.5	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-65	-37.1	178.4	-73.6	170.2	-168.4	0	0	112.7	Q558 Y559 I560 R564	Q558-E562 WeakPolarHBondContact CG-OE1 3.41Å; Q558-E562 PolarHBondContact NE2-OE1 3.2Å; Q558-E562 WeakPolarHBondContact O-CG 3.49Å; Q558-E562 PolarHBondContact O-N 3.5Å; Y559-E562 PolarHBondContact O-N 2.97Å; I560-E562 PolarHBondContact O-N 2.82Å; E562-R564 PolarHBondContact O-N 3.46Å
563	Q	77.1	Confident	83.3	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	3.3	176.2	-62.6	-57.5	-32.2	0	0	113.8	Y559 I560 K561 G565	Y559-Q563 HydrophobicContact CD1-CG 4.4Å; Y559-Q563 HydrophobicContact CE1-CG 3.98Å; Y559-Q563 HydrophobicContact CE2-CG 4.24Å; Y559-Q563 WeakPolarHBondContact O-CG 3.36Å; Y559-Q563 PolarHBondContact O-N 2.93Å; Y559-Q563 VanDerWaalsContact O-N 3.09Å; I560-Q563 PolarHBondContact O-N 2.8Å; K561-Q563 VanDerWaalsContact C-N 3.34Å; K561-Q563 PolarHBondContact O-N 3.28Å; Q563-G565 PolarHBondContact O-N 3.06Å
564	R	77.6	Confident	83.2	Confident	221 Å²	221	72.2 Å²	72.2	83%	0.834	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.9	-170.3	-58	-176.2	178.4	-171.1	-0.9	111.9	I560 K561 E562	I560-R564 PolarHBondContact O-N 3.36Å; K561-R564 PolarHBondContact O-N 3.09Å; K561-R564 VanDerWaalsContact O-N 3.15Å; E562-R564 PolarHBondContact O-N 3.46Å
565	G	66.6	Low	83	Confident	21 Å²	21	72.3 Å²	72.3	22%	0.216	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-75.4	166.2	173.2	0	0	0	0	0	111.7	I560 Q563	I560-G565 PolarHBondContact O-N 3.09Å; Q563-G565 PolarHBondContact O-N 3.06Å
566	E	72.8	Confident	82.9	Confident	60 Å²	60	70.4 Å²	70.4	28%	0.28	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-77.7	154.9	-180	-68.8	-171.3	167.4	0	0	112.5	R496 K500 I560 E568	R496-E566 IonicContact CZ-OE1 3.52Å; R496-E566 IonicContact CZ-OE2 2.76Å; R496-E566 VanDerWaalsContact NE-CD 3.33Å; R496-E566 IonicContact NE-OE1 3.52Å; R496-E566 PolarHBondContact NE-OE1 2.94Å; R496-E566 IonicContact NE-OE2 2.66Å; R496-E566 PolarHBondContact NE-OE2 2.79Å; R496-E566 VanDerWaalsContact NH2-CD 3.34Å; R496-E566 IonicContact NH2-OE1 2.93Å; R496-E566 PolarHBondContact NH2-OE1 2.94Å; R496-E566 IonicContact NH2-OE2 3.63Å; R496-E566 PolarHBondContact NH2-OE2 2.69Å; K500-E566 WeakPolarHBondContact CE-OE2 3.17Å; K500-E566 IonicContact NZ-OE2 3.04Å; K500-E566 PolarHBondContact NZ-OE2 2.88Å; I560-E566 VanDerWaalsContact CG2-O 3.29Å; I560-E566 WeakPolarHBondContact CG2-O 3.33Å; E566-E568 PolarHBondContact O-N 3.18Å; E566-E568 VanDerWaalsContact O-N 3.16Å
567	P	78.9	Confident	82.6	Confident	130 Å²	130	79 Å²	79	84%	0.844	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-58.6	120.3	173.4	-21.4	32.6	0	0	0	111
568	E	85.1	Confident	82.4	Confident	52 Å²	52	77.9 Å²	77.9	24%	0.243	38%	0.376	C	S	.	.			trans	-115.1	155.2	174.7	-68	-61.4	163	0	0	110.5	K500 I545 I560 E566 F570	K500-E568 WeakPolarHBondContact CD-OE1 3.23Å; K500-E568 WeakPolarHBondContact CE-OE1 3.5Å; K500-E568 IonicContact NZ-OE1 3.76Å; K500-E568 PolarHBondContact NZ-OE1 3.13Å; I545-E568 HydrophobicContact CD1-CB 4.14Å; I545-E568 HydrophobicContact CD1-CG 4.49Å; I560-E568 HydrophobicContact CD1-CB 4.14Å; I560-E568 HydrophobicContact CD1-CG 4.23Å; E566-E568 PolarHBondContact O-N 3.18Å; E566-E568 VanDerWaalsContact O-N 3.16Å; E568-F570 HydrophobicContact CB-CE2 4.15Å
569	T	88	Confident	82.1	Confident	71 Å²	71	82.1 Å²	82.1	44%	0.436	39%	0.393	S	S	.	.			trans	-95.8	130.7	-179.8	-57.1	0	0	0	0	110.1	A544 I545	A544-T569 CarbonylContact C-O 3.56Å; A544-T569 VanDerWaalsContact CA-O 3.29Å; A544-T569 WeakPolarHBondContact CA-O 3.37Å; A544-T569 HydrophobicContact CB-CG2 4.1Å; I545-T569 PolarHBondContact N-O 3.32Å
570	F	89.6	Confident	81.7	Confident	26 Å²	26	85.3 Å²	85.3	11%	0.114	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.2	178.9	-68.8	-94.9	0	0	0	111.2	I545 V547 C556 I557 I560 E568	I545-F570 HydrophobicContact CB-CD1 3.76Å; I545-F570 HydrophobicContact CB-CE1 3.85Å; I545-F570 HydrophobicContact CB-CG 4.47Å; I545-F570 HydrophobicContact CD1-CD1 4.45Å; I545-F570 HydrophobicContact CD1-CE1 3.76Å; I545-F570 HydrophobicContact CD1-CE2 4.49Å; I545-F570 HydrophobicContact CD1-CZ 3.79Å; I545-F570 HydrophobicContact CG1-CE1 4.41Å; I545-F570 HydrophobicContact CG2-CD1 3.84Å; I545-F570 HydrophobicContact CG2-CE1 3.76Å; I545-F570 CarbonylContact O-C 3.59Å; I545-F570 VanDerWaalsContact O-CA 3.31Å; I545-F570 WeakPolarHBondContact O-CA 3.34Å; V547-F570 HydrophobicContact CG1-CD1 3.91Å; V547-F570 HydrophobicContact CG1-CE1 4.48Å; C556-F570 HydrophobicContact CB-CD1 4.26Å; C556-F570 HydrophobicContact CB-CE1 3.46Å; C556-F570 VanDerWaalsContact CB-CE1 3.46Å; C556-F570 HydrophobicContact CB-CZ 3.7Å; I557-F570 HydrophobicContact CD1-CD2 3.91Å; I557-F570 HydrophobicContact CD1-CE2 4.41Å; I557-F570 HydrophobicContact CG1-CD2 3.46Å; I557-F570 VanDerWaalsContact CG1-CD2 3.46Å; I557-F570 HydrophobicContact CG1-CE2 3.47Å; I557-F570 VanDerWaalsContact CG1-CE2 3.47Å; I557-F570 HydrophobicContact CG1-CG 4.33Å; I557-F570 HydrophobicContact CG1-CZ 4.34Å; I560-F570 HydrophobicContact CD1-CE2 3.9Å; I560-F570 HydrophobicContact CD1-CZ 3.57Å; E568-F570 HydrophobicContact CB-CE2 4.15Å
571	L	89.7	Confident	81.5	Confident	9 Å²	9	85.8 Å²	85.8	5%	0.047	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	98	177.3	-64.4	177.8	0	0	0	109.9	A544 I545 V547 L576 A608 Y611	A544-L571 HydrophobicContact CB-CD1 3.88Å; A544-L571 HydrophobicContact CB-CG 4.02Å; I545-L571 PolarHBondContact O-N 2.93Å; V547-L571 PolarHBondContact N-O 3.11Å; V547-L571 VanDerWaalsContact N-O 3.09Å; L571-L576 HydrophobicContact CD2-CD1 4.19Å; L571-A608 HydrophobicContact CD1-CB 4.36Å; L571-Y611 HydrophobicContact CD2-CD1 4.2Å; L571-Y611 HydrophobicContact CD2-CE1 4.02Å
572	P	90.6	Very high	81.6	Confident	21 Å²	21	82.2 Å²	82.2	14%	0.136	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.9	178.4	-7.5	24.3	0	0	0	112	V547 E550 D574 Y575 L576	V547-P572 HydrophobicContact CG2-CB 3.95Å; V547-P572 HydrophobicContact CG2-CG 4.26Å; V547-P572 WeakPolarHBondContact O-CA 3.26Å; E550-P572 HydrophobicContact CB-CB 4.45Å; P572-D574 VanDerWaalsContact C-N 3.31Å; P572-D574 WeakPolarHBondContact CB-OD1 3.36Å; P572-D574 PolarHBondContact O-N 2.79Å; P572-Y575 PolarHBondContact O-N 3.18Å; P572-L576 WeakPolarHBondContact O-CB 3.45Å; P572-L576 PolarHBondContact O-N 3.04Å
573	L	87.4	Confident	81.5	Confident	17 Å²	17	81.6 Å²	81.6	9%	0.089	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.3	-172.6	-68.4	179.1	0	0	0	114.5	Y516 I546 V547 D548 H604 K607 A608	Y516-L573 HydrophobicContact CD2-CD1 4.06Å; Y516-L573 HydrophobicContact CE2-CD1 3.67Å; I546-L573 HydrophobicContact CG2-CD1 3.9Å; I546-L573 HydrophobicContact CG2-CD2 3.78Å; I546-L573 HydrophobicContact CG2-CG 3.72Å; V547-L573 WeakPolarHBondContact O-CG 3.48Å; V547-L573 PolarHBondContact O-N 3.24Å; D548-L573 PolarHBondContact O-N 3.09Å; L573-H604 HydrophobicContact CD1-CB 4.46Å; L573-K607 HydrophobicContact CD2-CB 4.32Å; L573-A608 HydrophobicContact CD2-CB 4Å
574	D	85.5	Confident	81.5	Confident	97 Å²	97	84.7 Å²	84.7	52%	0.519	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-38.5	176.5	65.8	-19.9	0	0	0	113.1	D548 S549 E550 P572	D548-D574 PolarHBondContact O-N 3.04Å; S549-D574 VanDerWaalsContact CA-OD1 3.25Å; S549-D574 WeakPolarHBondContact CA-OD1 3.35Å; S549-D574 VanDerWaalsContact CA-OD2 3.25Å; S549-D574 WeakPolarHBondContact CA-OD2 3.25Å; S549-D574 VanDerWaalsContact CB-OD2 3.26Å; S549-D574 WeakPolarHBondContact CB-OD2 3.28Å; E550-D574 PolarHBondContact N-OD1 3.39Å; E550-D574 PolarHBondContact N-OD2 3.21Å; P572-D574 VanDerWaalsContact C-N 3.31Å; P572-D574 WeakPolarHBondContact CB-OD1 3.36Å; P572-D574 PolarHBondContact O-N 2.79Å
575	Y	81.6	Confident	81.7	Confident	162 Å²	162	74.5 Å²	74.5	64%	0.635	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-11.8	-172.9	-162.3	-100.9	0	0	0	113	P572 E577	P572-Y575 PolarHBondContact O-N 3.18Å; Y575-E577 PolarHBondContact O-N 3.05Å; Y575-E577 VanDerWaalsContact O-N 3.12Å
576	L	85.2	Confident	82.4	Confident	25 Å²	25	78.9 Å²	78.9	13%	0.131	39%	0.391	C	S	.	.			trans	-72	106.4	-178	-166.3	70.3	0	0	0	111.7	L571 P572 V578 A608 Y611	L571-L576 HydrophobicContact CD2-CD1 4.19Å; P572-L576 WeakPolarHBondContact O-CB 3.45Å; P572-L576 PolarHBondContact O-N 3.04Å; L576-V578 HydrophobicContact CD2-CG2 4.21Å; L576-V578 HydrophobicContact CG-CG2 4.08Å; L576-A608 HydrophobicContact CD2-CB 4.31Å; L576-Y611 HydrophobicContact CD1-CD1 4.05Å; L576-Y611 HydrophobicContact CD1-CD2 3.69Å; L576-Y611 HydrophobicContact CD1-CE1 4.27Å; L576-Y611 HydrophobicContact CD1-CE2 3.92Å; L576-Y611 HydrophobicContact CD1-CG 3.76Å; L576-Y611 HydrophobicContact CD2-CG 4.05Å; L576-Y611 HydrophobicContact CG-CD2 4.11Å; L576-Y611 HydrophobicContact CG-CG 4.1Å
577	E	80.7	Confident	82.7	Confident	179 Å²	179	83.8 Å²	83.8	84%	0.836	41%	0.414	S	S	*	.			trans	-76.8	125.7	170.6	-69.8	-170.7	171.9	0	0	111.6	Y575	Y575-E577 PolarHBondContact O-N 3.05Å; Y575-E577 VanDerWaalsContact O-N 3.12Å
578	V	82.3	Confident	82.7	Confident	41 Å²	41	80.7 Å²	80.7	25%	0.248	39%	0.39	C	S	.	.			trans	-126.7	129.2	-175.1	-169.6	0	0	0	0	110	L576 K607 Q610	L576-V578 HydrophobicContact CD2-CG2 4.21Å; L576-V578 HydrophobicContact CG-CG2 4.08Å; V578-K607 HydrophobicContact CG2-CB 4.26Å; V578-K607 WeakPolarHBondContact CG2-O 3.23Å; V578-Q610 HydrophobicContact CG1-CB 3.42Å; V578-Q610 VanDerWaalsContact CG1-CB 3.42Å
579	K	77.8	Confident	82.3	Confident	186 Å²	186	89.7 Å²	89.7	81%	0.809	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-75.1	130.7	170.5	-66.7	-174.9	180	-177.6	0	109.3
580	P	76.5	Confident	81.8	Confident	111 Å²	111	88.8 Å²	88.8	72%	0.721	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-60.8	142.8	179.3	22.3	-30.5	0	0	0	111	D582	P580-D582 PolarHBondContact O-N 3.45Å
581	T	78.1	Confident	81.5	Confident	21 Å²	21	88 Å²	88	13%	0.129	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-65.3	132.4	178.2	-45	0	0	0	0	109.6	E583 L593 N615	T581-E583 PolarHBondContact O-N 3.29Å; T581-L593 HydrophobicContact CG2-CD1 3.66Å; T581-L593 HydrophobicContact CG2-CD2 3.85Å; T581-L593 HydrophobicContact CG2-CG 4.4Å; T581-N615 VanDerWaalsContact CA-OD1 3.32Å; T581-N615 WeakPolarHBondContact CA-OD1 3.39Å
582	D	81.1	Confident	81.5	Confident	66 Å²	66	93.2 Å²	93.2	35%	0.353	45%	0.447	S	S	.	.			trans	-78	107.2	179.2	-177	-1.2	0	0	0	109.8	P580 K584 L585 N615	P580-D582 PolarHBondContact O-N 3.45Å; D582-K584 PolarHBondContact O-N 3Å; D582-K584 WeakPolarHBondContact OD1-CB 3.38Å; D582-K584 PolarHBondContact OD1-N 3.4Å; D582-K584 VanDerWaalsContact OD1-N 3.13Å; D582-L585 HydrophobicContact CB-CD1 3.82Å; D582-L585 HydrophobicContact CB-CG 3.91Å; D582-L585 VanDerWaalsContact O-CB 3.31Å; D582-L585 WeakPolarHBondContact O-CB 3.35Å; D582-L585 WeakPolarHBondContact O-CG 3.06Å; D582-L585 PolarHBondContact O-N 3.46Å; D582-L585 VanDerWaalsContact O-N 3.11Å; D582-N615 PolarHBondContact N-OD1 2.91Å
583	E	79.1	Confident	81.5	Confident	106 Å²	106	92.3 Å²	92.3	50%	0.495	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-61	-28.2	-177.6	-72.1	-67.3	160.7	0	0	112.6	T581 L585 R586	T581-E583 PolarHBondContact O-N 3.29Å; E583-L585 PolarHBondContact O-N 3.09Å; E583-L585 VanDerWaalsContact O-N 3.12Å; E583-R586 WeakPolarHBondContact O-CB 3.44Å; E583-R586 PolarHBondContact O-N 3.45Å; E583-R586 IonicContact OE1-CZ 2.96Å; E583-R586 IonicContact OE1-NH1 3.49Å; E583-R586 PolarHBondContact OE1-NH1 3.37Å; E583-R586 WeakPolarHBondContact OE2-CD 3.4Å; E583-R586 IonicContact OE2-CZ 2.71Å; E583-R586 IonicContact OE2-NE 3.09Å; E583-R586 IonicContact OE2-NH1 2.74Å; E583-R586 PolarHBondContact OE2-NH1 3.47Å
584	K	78.1	Confident	81.5	Confident	156 Å²	156	91.5 Å²	91.5	68%	0.678	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-63	-21.9	177.2	-62.9	-179.2	179.4	-179.8	0	112.5	D582 R586 E587	D582-K584 PolarHBondContact O-N 3Å; D582-K584 WeakPolarHBondContact OD1-CB 3.38Å; D582-K584 PolarHBondContact OD1-N 3.4Å; D582-K584 VanDerWaalsContact OD1-N 3.13Å; K584-R586 PolarHBondContact O-N 2.82Å; K584-E587 PolarHBondContact O-N 2.94Å
585	L	80.8	Confident	81.7	Confident	7 Å²	7	87.5 Å²	87.5	4%	0.037	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-72.8	-13.9	178	-58.5	177.3	0	0	0	113.2	D582 E583 E587 L588 L593 N615 L617 H636	D582-L585 HydrophobicContact CB-CD1 3.82Å; D582-L585 HydrophobicContact CB-CG 3.91Å; D582-L585 VanDerWaalsContact O-CB 3.31Å; D582-L585 WeakPolarHBondContact O-CB 3.35Å; D582-L585 WeakPolarHBondContact O-CG 3.06Å; D582-L585 PolarHBondContact O-N 3.46Å; D582-L585 VanDerWaalsContact O-N 3.11Å; E583-L585 PolarHBondContact O-N 3.09Å; E583-L585 VanDerWaalsContact O-N 3.12Å; L585-E587 VanDerWaalsContact C-N 3.31Å; L585-L588 HydrophobicContact CB-CD1 4.41Å; L585-L588 HydrophobicContact CD2-CD1 3.72Å; L585-L593 HydrophobicContact CB-CD2 4.41Å; L585-L593 HydrophobicContact CB-CG 4.44Å; L585-L593 HydrophobicContact CD1-CD2 4.41Å; L585-N615 HydrophobicContact CD1-CB 3.65Å; L585-L617 HydrophobicContact CB-CD2 4.23Å; L585-H636 VanDerWaalsContact CD2-CE1 3.45Å; L585-H636 WeakPolarHBondContact CD2-CE1 3.4Å; L585-H636 WeakPolarHBondContact CD2-ND1 3.16Å
586	R	82.1	Confident	81.9	Confident	114 Å²	114	83.3 Å²	83.3	43%	0.43	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-75.2	-20.5	173.6	-69.5	-174.8	169.1	147.3	-0.1	113.2	E583 K584 L593 D596	E583-R586 WeakPolarHBondContact O-CB 3.44Å; E583-R586 PolarHBondContact O-N 3.45Å; E583-R586 IonicContact OE1-CZ 2.96Å; E583-R586 IonicContact OE1-NH1 3.49Å; E583-R586 PolarHBondContact OE1-NH1 3.37Å; E583-R586 WeakPolarHBondContact OE2-CD 3.4Å; E583-R586 IonicContact OE2-CZ 2.71Å; E583-R586 IonicContact OE2-NE 3.09Å; E583-R586 IonicContact OE2-NH1 2.74Å; E583-R586 PolarHBondContact OE2-NH1 3.47Å; K584-R586 PolarHBondContact O-N 2.82Å; R586-L593 HydrophobicContact CG-CD1 3.55Å; R586-D596 IonicContact CZ-OD1 3.66Å; R586-D596 IonicContact CZ-OD2 2.79Å; R586-D596 IonicContact NE-OD1 3.82Å; R586-D596 IonicContact NE-OD2 2.95Å; R586-D596 PolarHBondContact NE-OD2 3.46Å; R586-D596 IonicContact NH2-OD1 2.7Å; R586-D596 PolarHBondContact NH2-OD1 3.47Å; R586-D596 IonicContact NH2-OD2 3.58Å; R586-D596 PolarHBondContact NH2-OD2 2.87Å
587	E	78.5	Confident	82.1	Confident	163 Å²	163	82.4 Å²	82.4	76%	0.762	40%	0.399	S	S	*	.	S	Bend	trans	-86.1	-9	-178.1	-60.9	178.8	174.6	0	0	112.9	K584 L585 R589	K584-E587 PolarHBondContact O-N 2.94Å; L585-E587 VanDerWaalsContact C-N 3.31Å; E587-R589 PolarHBondContact O-N 2.97Å
588	L	79.5	Confident	82.5	Confident	65 Å²	65	74.2 Å²	74.2	34%	0.34	36%	0.361	S	S	.	.			trans	-69.9	110.6	179.7	-72.9	168.4	0	0	0	111.5	L585 G590 A591 L617	L585-L588 HydrophobicContact CB-CD1 4.41Å; L585-L588 HydrophobicContact CD2-CD1 3.72Å; L588-G590 PolarHBondContact O-N 3.46Å; L588-A591 PolarHBondContact O-N 3.06Å; L588-L617 HydrophobicContact CD1-CD1 3.82Å
589	R	75.3	Confident	82.8	Confident	241 Å²	241	80.8 Å²	80.8	91%	0.909	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	129.2	175.9	-70.9	-170.7	178.2	-166.9	0.5	111.1	E587	E587-R589 PolarHBondContact O-N 2.97Å
590	G	77.6	Confident	83.2	Confident	51 Å²	51	75.2 Å²	75.2	53%	0.526	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	0.3	178.8	0	0	0	0	0	115.2	L588	L588-G590 PolarHBondContact O-N 3.46Å
591	A	84.6	Confident	83.3	Confident	10 Å²	10	76.6 Å²	76.6	8%	0.083	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.1	175.4	0	0	0	0	0	112	L588 L617 V618 I628	L588-A591 PolarHBondContact O-N 3.06Å; A591-L617 HydrophobicContact CB-CB 4.17Å; A591-L617 HydrophobicContact CB-CD1 4.32Å; A591-L617 HydrophobicContact CB-CD2 4.3Å; A591-V618 CarbonylContact C-O 3.52Å; A591-V618 WeakPolarHBondContact CA-O 3.36Å; A591-I628 HydrophobicContact CB-CD1 3.78Å
592	K	88.8	Confident	83.2	Confident	119 Å²	119	77.7 Å²	77.7	52%	0.517	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149	171.5	-62.4	-173	179.2	-174.9	0	110	V594 V597 L617 V618	K592-V594 PolarHBondContact O-N 2.98Å; K592-V597 HydrophobicContact CB-CG1 4.36Å; K592-V597 HydrophobicContact CD-CG1 4.37Å; K592-L617 CarbonylContact O-C 3.53Å; K592-L617 VanDerWaalsContact O-CA 3.27Å; K592-L617 WeakPolarHBondContact O-CA 3.41Å; K592-V618 HydrophobicContact CB-CG1 3.96Å; K592-V618 PolarHBondContact N-O 2.81Å; K592-V618 WeakPolarHBondContact O-CG1 3.44Å; K592-V618 PolarHBondContact O-N 2.63Å
593	L	90.3	Very high	83.1	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.7	170.8	-83	161.6	0	0	0	110.3	T581 L585 R586 I595 D596 L617	T581-L593 HydrophobicContact CG2-CD1 3.66Å; T581-L593 HydrophobicContact CG2-CD2 3.85Å; T581-L593 HydrophobicContact CG2-CG 4.4Å; L585-L593 HydrophobicContact CB-CD2 4.41Å; L585-L593 HydrophobicContact CB-CG 4.44Å; L585-L593 HydrophobicContact CD1-CD2 4.41Å; R586-L593 HydrophobicContact CG-CD1 3.55Å; L593-I595 HydrophobicContact CB-CG2 4.2Å; L593-I595 PolarHBondContact O-N 3.35Å; L593-D596 HydrophobicContact CB-CB 4.49Å; L593-D596 PolarHBondContact O-N 3.31Å; L593-D596 VanDerWaalsContact O-N 3.08Å; L593-L617 HydrophobicContact CD2-CD2 4.05Å; L593-L617 HydrophobicContact CG-CD2 3.98Å
594	V	88.9	Confident	83.1	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.006	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-63.1	-32.9	-178	174.7	0	0	0	0	111.3	V534 V537 K592 D596 V597 I598 C613 A616 V618 V639	V534-V594 HydrophobicContact CG2-CG1 4.27Å; V537-V594 HydrophobicContact CB-CG1 4.14Å; V537-V594 HydrophobicContact CG1-CB 4.38Å; V537-V594 HydrophobicContact CG1-CG1 3.89Å; V537-V594 HydrophobicContact CG1-CG2 4.45Å; V537-V594 HydrophobicContact CG2-CG1 4.39Å; V537-V594 HydrophobicContact CG2-CG2 4.08Å; K592-V594 PolarHBondContact O-N 2.98Å; V594-D596 VanDerWaalsContact C-N 3.26Å; V594-D596 PolarHBondContact O-N 3.32Å; V594-V597 WeakPolarHBondContact O-CG2 3.42Å; V594-V597 PolarHBondContact O-N 3.37Å; V594-I598 HydrophobicContact CG1-CD1 4.01Å; V594-I598 WeakPolarHBondContact O-CD1 3.15Å; V594-I598 WeakPolarHBondContact O-CG1 3.48Å; V594-C613 HydrophobicContact CG1-CB 4.48Å; V594-A616 HydrophobicContact CB-CB 4.29Å; V594-A616 HydrophobicContact CG2-CB 3.86Å; V594-A616 WeakPolarHBondContact CG2-O 3.38Å; V594-A616 PolarHBondContact N-O 3.27Å; V594-V618 HydrophobicContact CG2-CB 4.11Å; V594-V639 HydrophobicContact CG2-CG1 4.15Å
595	I	88	Confident	83.5	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.062	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.6	-30	176.6	-164	167.5	0	0	0	112.9	L593 V597 I598 L609 Q610	L593-I595 HydrophobicContact CB-CG2 4.2Å; L593-I595 PolarHBondContact O-N 3.35Å; I595-V597 VanDerWaalsContact C-N 3.29Å; I595-V597 PolarHBondContact O-N 2.91Å; I595-I598 PolarHBondContact O-N 3.25Å; I595-L609 HydrophobicContact CD1-CB 4.4Å; I595-Q610 HydrophobicContact CD1-CB 4.24Å; I595-Q610 HydrophobicContact CD1-CG 3.3Å
596	D	87.5	Confident	83.7	Confident	75 Å²	75	75.1 Å²	75.1	40%	0.401	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-80.1	-13.6	-178.9	-63	-23	0	0	0	112.1	R586 L593 V594	R586-D596 IonicContact CZ-OD1 3.66Å; R586-D596 IonicContact CZ-OD2 2.79Å; R586-D596 IonicContact NE-OD1 3.82Å; R586-D596 IonicContact NE-OD2 2.95Å; R586-D596 PolarHBondContact NE-OD2 3.46Å; R586-D596 IonicContact NH2-OD1 2.7Å; R586-D596 PolarHBondContact NH2-OD1 3.47Å; R586-D596 IonicContact NH2-OD2 3.58Å; R586-D596 PolarHBondContact NH2-OD2 2.87Å; L593-D596 HydrophobicContact CB-CB 4.49Å; L593-D596 PolarHBondContact O-N 3.31Å; L593-D596 VanDerWaalsContact O-N 3.08Å; V594-D596 VanDerWaalsContact C-N 3.26Å; V594-D596 PolarHBondContact O-N 3.32Å
597	V	88.5	Confident	83.9	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.03	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-99.5	11.4	174.2	-57.8	0	0	0	0	112.9	P525 T526 Y530 V534 K592 V594 I595 V618	P525-V597 WeakPolarHBondContact CA-O 3.31Å; T526-V597 PolarHBondContact N-O 3.2Å; T526-V597 PolarHBondContact OG1-O 2.86Å; Y530-V597 HydrophobicContact CD2-CB 3.92Å; Y530-V597 HydrophobicContact CD2-CG1 4.15Å; Y530-V597 HydrophobicContact CE1-CG1 4.42Å; Y530-V597 HydrophobicContact CE2-CB 4.22Å; Y530-V597 HydrophobicContact CE2-CG1 3.96Å; Y530-V597 HydrophobicContact CG-CB 4.2Å; Y530-V597 HydrophobicContact CG-CG1 4.47Å; Y530-V597 HydrophobicContact CG-CG2 4.33Å; V534-V597 HydrophobicContact CG2-CG2 4.09Å; K592-V597 HydrophobicContact CB-CG1 4.36Å; K592-V597 HydrophobicContact CD-CG1 4.37Å; V594-V597 WeakPolarHBondContact O-CG2 3.42Å; V594-V597 PolarHBondContact O-N 3.37Å; I595-V597 VanDerWaalsContact C-N 3.29Å; I595-V597 PolarHBondContact O-N 2.91Å; V597-V618 HydrophobicContact CG1-CG1 4.23Å; V597-V618 HydrophobicContact CG2-CG1 4.17Å
598	I	89.3	Confident	84.3	Confident	8 Å²	8	67 Å²	67	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.1	176.9	-62.8	168.6	0	0	0	109.4	C523 V534 V594 I595 L609	C523-I598 HydrophobicContact CB-CG2 3.67Å; V534-I598 HydrophobicContact CG1-CD1 3.72Å; V534-I598 HydrophobicContact CG1-CG1 3.89Å; V534-I598 HydrophobicContact CG2-CD1 4.35Å; V534-I598 HydrophobicContact CG2-CG1 4.01Å; V594-I598 HydrophobicContact CG1-CD1 4.01Å; V594-I598 WeakPolarHBondContact O-CD1 3.15Å; V594-I598 WeakPolarHBondContact O-CG1 3.48Å; I595-I598 PolarHBondContact O-N 3.25Å; I598-L609 HydrophobicContact CD1-CD2 4.42Å; I598-L609 HydrophobicContact CG2-CD1 4.45Å; I598-L609 HydrophobicContact CG2-CD2 4.21Å
599	R	88.4	Confident	84.6	Confident	179 Å²	179	64 Å²	64	68%	0.675	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.2	167.5	-174.3	177.3	178.7	177.4	-0.2	108.9	C523 Q524 T526	C523-R599 CarbonylContact C-O 3.42Å; C523-R599 VanDerWaalsContact CA-O 3.24Å; C523-R599 WeakPolarHBondContact CA-O 3.5Å; C523-R599 WeakPolarHBondContact CB-O 3.44Å; Q524-R599 PolarHBondContact N-O 3.03Å; Q524-R599 PolarHBondContact O-N 3.37Å; T526-R599 HydrophobicContact CG2-CB 4.29Å
600	Y	86.4	Confident	85.2	Confident	69 Å²	69	54.4 Å²	54.4	27%	0.271	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.9	-175.4	67.4	-97.9	0	0	0	112.3	L522 I605 K606 L609	L522-Y600 WeakPolarHBondContact O-CA 3.47Å; Y600-I605 HydrophobicContact CD2-CD1 4.01Å; Y600-I605 HydrophobicContact CD2-CG1 3.6Å; Y600-I605 HydrophobicContact CE2-CG1 4.4Å; Y600-I605 HydrophobicContact CG-CD1 4.37Å; Y600-I605 HydrophobicContact CG-CG1 4.25Å; Y600-K606 HydrophobicContact CE2-CB 3.92Å; Y600-K606 WeakPolarHBondContact OH-CD 3.31Å; Y600-K606 WeakPolarHBondContact OH-CG 3.44Å; Y600-L609 HydrophobicContact CD1-CD1 3.42Å; Y600-L609 VanDerWaalsContact CD1-CD1 3.42Å; Y600-L609 HydrophobicContact CD2-CD1 3.94Å; Y600-L609 HydrophobicContact CE1-CD1 4.19Å; Y600-L609 HydrophobicContact CG-CD1 3.27Å
601	E	79.6	Confident	85.7	Confident	140 Å²	140	57.5 Å²	57.5	65%	0.654	27%	0.267	S	S	*	.	S	Bend	trans	-151.9	131	179.8	-164.9	165.2	-167.8	0	0	109.5	L522	L522-E601 PolarHBondContact O-N 3.17Å; L522-E601 VanDerWaalsContact O-N 3.11Å
602	P	76.1	Confident	85.8	Confident	44 Å²	44	57.3 Å²	57.3	29%	0.286	27%	0.266	S	S	.	.	S	Bend	cis	-93.5	167.7	9	1.8	19.9	0	0	0	113.8	H604 I605	P602-H604 WeakPolarHBondContact CB-CE1 3.3Å; P602-H604 WeakPolarHBondContact CG-CE1 3.44Å; P602-H604 VanDerWaalsContact CG-NE2 3.33Å; P602-H604 WeakPolarHBondContact CG-NE2 3.44Å; P602-H604 PolarHBondContact O-N 3.11Å; P602-I605 VanDerWaalsContact O-CG1 3.25Å; P602-I605 WeakPolarHBondContact O-CG1 3.44Å; P602-I605 PolarHBondContact O-N 3.06Å; P602-I605 VanDerWaalsContact O-N 3.15Å
603	P	77.8	Confident	85.7	Confident	106 Å²	106	51.7 Å²	51.7	69%	0.688	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-57.4	-26	-166.5	-27.1	34.5	0	0	0	116.5	I605 K606	P603-I605 PolarHBondContact O-N 3.08Å; P603-K606 WeakPolarHBondContact O-CB 3.5Å; P603-K606 PolarHBondContact O-N 2.77Å
604	H	79	Confident	85.5	Confident	76 Å²	76	53 Å²	53	35%	0.352	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.5	-18.9	-179.1	44.9	-104.1	0	0	0	113.9	Y516 L573 P602 K606	Y516-H604 AromaticContact CD1-CD2 3.91Å; Y516-H604 AromaticContact CD1-NE2 3.23Å; Y516-H604 WeakPolarHBondContact CD1-NE2 3.22Å; Y516-H604 AromaticContact CE1-CD2 3.72Å; Y516-H604 AromaticContact CE1-CE1 3.72Å; Y516-H604 AromaticContact CE1-NE2 3.17Å; Y516-H604 WeakPolarHBondContact CE1-NE2 3.42Å; Y516-H604 AromaticContact CG-NE2 3.97Å; Y516-H604 AromaticContact CZ-CD2 3.9Å; Y516-H604 AromaticContact CZ-NE2 3.85Å; L573-H604 HydrophobicContact CD1-CB 4.46Å; P602-H604 WeakPolarHBondContact CB-CE1 3.3Å; P602-H604 WeakPolarHBondContact CG-CE1 3.44Å; P602-H604 VanDerWaalsContact CG-NE2 3.33Å; P602-H604 WeakPolarHBondContact CG-NE2 3.44Å; P602-H604 PolarHBondContact O-N 3.11Å; H604-K606 PolarHBondContact O-N 3.25Å
605	I	85.9	Confident	85.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-76.1	-3.4	176.9	75.3	-168.5	0	0	0	113.2	L522 I546 Y600 P602 P603 K607 A608 L609	L522-I605 HydrophobicContact CB-CD1 3.74Å; L522-I605 HydrophobicContact CD1-CG2 4.35Å; L522-I605 WeakPolarHBondContact O-CD1 3.28Å; I546-I605 HydrophobicContact CD1-CB 3.91Å; I546-I605 HydrophobicContact CD1-CG2 3.87Å; Y600-I605 HydrophobicContact CD2-CD1 4.01Å; Y600-I605 HydrophobicContact CD2-CG1 3.6Å; Y600-I605 HydrophobicContact CE2-CG1 4.4Å; Y600-I605 HydrophobicContact CG-CD1 4.37Å; Y600-I605 HydrophobicContact CG-CG1 4.25Å; P602-I605 VanDerWaalsContact O-CG1 3.25Å; P602-I605 WeakPolarHBondContact O-CG1 3.44Å; P602-I605 PolarHBondContact O-N 3.06Å; P602-I605 VanDerWaalsContact O-N 3.15Å; P603-I605 PolarHBondContact O-N 3.08Å; I605-K607 PolarHBondContact O-N 2.76Å; I605-A608 PolarHBondContact O-N 3.02Å; I605-A608 VanDerWaalsContact O-N 3.07Å; I605-L609 HydrophobicContact CG1-CD1 4.22Å; I605-L609 PolarHBondContact O-N 3.41Å
606	K	86.1	Confident	85.5	Confident	99 Å²	99	54.2 Å²	54.2	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-53.4	-40.2	176.8	-173.3	179.3	-174.5	177.8	0	112	Y600 P603 H604 L609 Q610	Y600-K606 HydrophobicContact CE2-CB 3.92Å; Y600-K606 WeakPolarHBondContact OH-CD 3.31Å; Y600-K606 WeakPolarHBondContact OH-CG 3.44Å; P603-K606 WeakPolarHBondContact O-CB 3.5Å; P603-K606 PolarHBondContact O-N 2.77Å; H604-K606 PolarHBondContact O-N 3.25Å; K606-L609 PolarHBondContact O-N 3Å; K606-Q610 HydrophobicContact CG-CG 4.42Å; K606-Q610 WeakPolarHBondContact O-CB 3.38Å; K606-Q610 VanDerWaalsContact O-CG 3.31Å; K606-Q610 WeakPolarHBondContact O-CG 3.38Å; K606-Q610 PolarHBondContact O-N 2.8Å
607	K	86.1	Confident	85.7	Confident	107 Å²	107	50.7 Å²	50.7	47%	0.465	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-46	176.7	-75.6	-172.3	177.8	-176.6	0	111.8	L573 V578 I605 L609 Q610 Y611	L573-K607 HydrophobicContact CD2-CB 4.32Å; V578-K607 HydrophobicContact CG2-CB 4.26Å; V578-K607 WeakPolarHBondContact CG2-O 3.23Å; I605-K607 PolarHBondContact O-N 2.76Å; K607-L609 PolarHBondContact O-N 3.35Å; K607-Q610 PolarHBondContact O-N 2.97Å; K607-Y611 PolarHBondContact O-N 3.35Å
608	A	86.8	Confident	85.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-39.2	177.6	0	0	0	0	0	112.4	I546 L571 L573 L576 I605 Y611 A612	I546-A608 HydrophobicContact CD1-CB 3.87Å; I546-A608 HydrophobicContact CG1-CB 4.33Å; I546-A608 HydrophobicContact CG2-CB 4.49Å; L571-A608 HydrophobicContact CD1-CB 4.36Å; L573-A608 HydrophobicContact CD2-CB 4Å; L576-A608 HydrophobicContact CD2-CB 4.31Å; I605-A608 PolarHBondContact O-N 3.02Å; I605-A608 VanDerWaalsContact O-N 3.07Å; A608-Y611 PolarHBondContact O-N 3.4Å; A608-A612 WeakPolarHBondContact O-CB 3.46Å; A608-A612 PolarHBondContact O-N 3.47Å
609	L	86.8	Confident	85.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-40.3	175.3	-82.1	167	0	0	0	112.9	L519 C523 L538 I595 I598 Y600 I605 K606 K607 Y611 A612 C613	L519-L609 HydrophobicContact CD1-CD2 3.94Å; L519-L609 HydrophobicContact CD1-CG 4.05Å; L519-L609 HydrophobicContact CG-CD2 4.46Å; C523-L609 HydrophobicContact CB-CD1 4.35Å; C523-L609 HydrophobicContact CB-CD2 4.32Å; L538-L609 HydrophobicContact CD2-CD2 4.46Å; I595-L609 HydrophobicContact CD1-CB 4.4Å; I598-L609 HydrophobicContact CD1-CD2 4.42Å; I598-L609 HydrophobicContact CG2-CD1 4.45Å; I598-L609 HydrophobicContact CG2-CD2 4.21Å; Y600-L609 HydrophobicContact CD1-CD1 3.42Å; Y600-L609 VanDerWaalsContact CD1-CD1 3.42Å; Y600-L609 HydrophobicContact CD2-CD1 3.94Å; Y600-L609 HydrophobicContact CE1-CD1 4.19Å; Y600-L609 HydrophobicContact CG-CD1 3.27Å; I605-L609 HydrophobicContact CG1-CD1 4.22Å; I605-L609 PolarHBondContact O-N 3.41Å; K606-L609 PolarHBondContact O-N 3Å; K607-L609 PolarHBondContact O-N 3.35Å; L609-Y611 VanDerWaalsContact C-N 3.31Å; L609-Y611 PolarHBondContact O-N 3.31Å; L609-A612 PolarHBondContact O-N 3.4Å; L609-C613 VanDerWaalsContact O-CB 3.25Å; L609-C613 WeakPolarHBondContact O-CB 3.31Å; L609-C613 PolarHBondContact O-N 2.8Å; L609-C613 PolarHBondContact O-SG 3.37Å; L609-C613 VanDerWaalsContact O-SG 3.33Å
610	Q	87.3	Confident	85.9	Confident	40 Å²	40	47.3 Å²	47.3	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-38	174.6	-76.6	177.6	-32.9	0	0	111.6	V578 I595 K606 K607 G614	V578-Q610 HydrophobicContact CG1-CB 3.42Å; V578-Q610 VanDerWaalsContact CG1-CB 3.42Å; I595-Q610 HydrophobicContact CD1-CB 4.24Å; I595-Q610 HydrophobicContact CD1-CG 3.3Å; K606-Q610 HydrophobicContact CG-CG 4.42Å; K606-Q610 WeakPolarHBondContact O-CB 3.38Å; K606-Q610 VanDerWaalsContact O-CG 3.31Å; K606-Q610 WeakPolarHBondContact O-CG 3.38Å; K606-Q610 PolarHBondContact O-N 2.8Å; K607-Q610 PolarHBondContact O-N 2.97Å; Q610-G614 WeakPolarHBondContact O-CA 3.49Å; Q610-G614 PolarHBondContact O-N 3.36Å
611	Y	88.7	Confident	86	Confident	117 Å²	117	48.5 Å²	48.5	46%	0.459	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-49.1	172.5	178.7	-96.3	0	0	0	112.1	L571 L576 K607 A608 L609	L571-Y611 HydrophobicContact CD2-CD1 4.2Å; L571-Y611 HydrophobicContact CD2-CE1 4.02Å; L576-Y611 HydrophobicContact CD1-CD1 4.05Å; L576-Y611 HydrophobicContact CD1-CD2 3.69Å; L576-Y611 HydrophobicContact CD1-CE1 4.27Å; L576-Y611 HydrophobicContact CD1-CE2 3.92Å; L576-Y611 HydrophobicContact CD1-CG 3.76Å; L576-Y611 HydrophobicContact CD2-CG 4.05Å; L576-Y611 HydrophobicContact CG-CD2 4.11Å; L576-Y611 HydrophobicContact CG-CG 4.1Å; K607-Y611 PolarHBondContact O-N 3.35Å; A608-Y611 PolarHBondContact O-N 3.4Å; L609-Y611 VanDerWaalsContact C-N 3.31Å; L609-Y611 PolarHBondContact O-N 3.31Å
612	A	86.4	Confident	86.3	Confident	6 Å²	6	44.4 Å²	44.4	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-69.3	-41.5	-176.4	0	0	0	0	0	113	L519 L538 N541 A608 L609	L519-A612 HydrophobicContact CD2-CB 3.96Å; L538-A612 HydrophobicContact CD2-CB 3.86Å; N541-A612 HydrophobicContact CB-CB 4.02Å; A608-A612 WeakPolarHBondContact O-CB 3.46Å; A608-A612 PolarHBondContact O-N 3.47Å; L609-A612 PolarHBondContact O-N 3.4Å
613	C	86.7	Confident	86.8	Confident	1 Å²	1	50 Å²	50	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-84.2	-38.5	-178.6	-59.9	0	0	0	0	112.3	V537 V594 L609 A616	V537-C613 HydrophobicContact CG1-CB 4.35Å; V594-C613 HydrophobicContact CG1-CB 4.48Å; L609-C613 VanDerWaalsContact O-CB 3.25Å; L609-C613 WeakPolarHBondContact O-CB 3.31Å; L609-C613 PolarHBondContact O-N 2.8Å; L609-C613 PolarHBondContact O-SG 3.37Å; L609-C613 VanDerWaalsContact O-SG 3.33Å; C613-A616 WeakPolarHBondContact O-CB 3.41Å; C613-A616 PolarHBondContact O-N 3.37Å
614	G	85.6	Confident	87.2	Confident	28 Å²	28	46.9 Å²	46.9	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-151.6	-170	0	0	0	0	0	112.6	Q610 A616	Q610-G614 WeakPolarHBondContact O-CA 3.49Å; Q610-G614 PolarHBondContact O-N 3.36Å; G614-A616 PolarHBondContact O-N 3.3Å
615	N	87.8	Confident	87.6	Confident	39 Å²	39	43.2 Å²	43.2	21%	0.209	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	42.1	173.3	-69.1	-5.9	0	0	0	112	T581 D582 L585	T581-N615 VanDerWaalsContact CA-OD1 3.32Å; T581-N615 WeakPolarHBondContact CA-OD1 3.39Å; D582-N615 PolarHBondContact N-OD1 2.91Å; L585-N615 HydrophobicContact CD1-CB 3.65Å
616	A	89.2	Confident	87.6	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.3	176	0	0	0	0	0	110.9	V537 V594 C613 G614 K637	V537-A616 HydrophobicContact CG1-CB 3.83Å; V537-A616 HydrophobicContact CG2-CB 4.29Å; V594-A616 HydrophobicContact CB-CB 4.29Å; V594-A616 HydrophobicContact CG2-CB 3.86Å; V594-A616 WeakPolarHBondContact CG2-O 3.38Å; V594-A616 PolarHBondContact N-O 3.27Å; C613-A616 WeakPolarHBondContact O-CB 3.41Å; C613-A616 PolarHBondContact O-N 3.37Å; G614-A616 PolarHBondContact O-N 3.3Å; A616-K637 CarbonylContact C-O 3.45Å; A616-K637 WeakPolarHBondContact CA-O 3.39Å; A616-K637 HydrophobicContact CB-CD 4Å; A616-K637 HydrophobicContact CB-CG 4.17Å
617	L	91.4	Very high	87.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132	179.7	-71.2	172.5	0	0	0	110.8	L585 L588 A591 K592 L593 I628 H636 K637 T638 V639	L585-L617 HydrophobicContact CB-CD2 4.23Å; L588-L617 HydrophobicContact CD1-CD1 3.82Å; A591-L617 HydrophobicContact CB-CB 4.17Å; A591-L617 HydrophobicContact CB-CD1 4.32Å; A591-L617 HydrophobicContact CB-CD2 4.3Å; K592-L617 CarbonylContact O-C 3.53Å; K592-L617 VanDerWaalsContact O-CA 3.27Å; K592-L617 WeakPolarHBondContact O-CA 3.41Å; L593-L617 HydrophobicContact CD2-CD2 4.05Å; L593-L617 HydrophobicContact CG-CD2 3.98Å; L617-I628 HydrophobicContact CD1-CG2 4.08Å; L617-H636 HydrophobicContact CD1-CB 4.33Å; L617-K637 PolarHBondContact N-O 2.74Å; L617-T638 HydrophobicContact CB-CG2 4.2Å; L617-T638 CarbonylContact O-C 3.58Å; L617-T638 WeakPolarHBondContact O-CA 3.26Å; L617-V639 PolarHBondContact O-N 2.97Å
618	V	91.9	Very high	87.5	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.2	169.7	64.4	0	0	0	0	110.2	Y530 A533 A591 K592 V594 V597 V639 L641	Y530-V618 HydrophobicContact CD1-CG1 4.36Å; Y530-V618 HydrophobicContact CD1-CG2 4.05Å; Y530-V618 HydrophobicContact CE1-CG1 4.33Å; Y530-V618 HydrophobicContact CE1-CG2 4.44Å; A533-V618 HydrophobicContact CB-CG2 3.76Å; A591-V618 CarbonylContact C-O 3.52Å; A591-V618 WeakPolarHBondContact CA-O 3.36Å; K592-V618 HydrophobicContact CB-CG1 3.96Å; K592-V618 PolarHBondContact N-O 2.81Å; K592-V618 WeakPolarHBondContact O-CG1 3.44Å; K592-V618 PolarHBondContact O-N 2.63Å; V594-V618 HydrophobicContact CG2-CB 4.11Å; V597-V618 HydrophobicContact CG1-CG1 4.23Å; V597-V618 HydrophobicContact CG2-CG1 4.17Å; V618-V639 CarbonylContact C-O 3.55Å; V618-V639 WeakPolarHBondContact CA-O 3.42Å; V618-V639 HydrophobicContact CB-CG1 4.03Å; V618-V639 HydrophobicContact CG2-CG1 4.17Å; V618-L641 HydrophobicContact CG2-CD2 3.93Å
619	C	90.9	Very high	87.5	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.02	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.4	178.9	-50.7	0	0	0	0	109.3	D624 A625 V639 A640 L641	C619-D624 HydrophobicContact CB-CB 4.33Å; C619-A625 HydrophobicContact CB-CB 3.9Å; C619-V639 PolarHBondContact N-O 2.97Å; C619-A640 WeakPolarHBondContact O-CA 3.41Å; C619-L641 PolarHBondContact O-N 3.29Å
620	E	87.7	Confident	87.5	Confident	113 Å²	113	53 Å²	53	53%	0.528	25%	0.248	S	C	.	.	S	Bend	trans	-71	-43.5	-177.1	-62.1	-156.3	145.7	0	0	112.3	K529 L641	K529-E620 IonicContact NZ-OE1 3.88Å; E620-L641 HydrophobicContact CB-CD1 4.32Å
621	N	87.8	Confident	87	Confident	94 Å²	94	54.2 Å²	54.2	50%	0.503	27%	0.271	S	S	.	.	S	Bend	trans	-118.1	157.3	-176.8	-61.3	-35.5	0	0	0	112.6	E623 D624 A625	N621-E623 VanDerWaalsContact C-N 3.33Å; N621-E623 PolarHBondContact O-N 3.24Å; N621-D624 PolarHBondContact O-N 3.03Å; N621-A625 WeakPolarHBondContact O-CB 3.4Å; N621-A625 PolarHBondContact O-N 3.27Å
622	V	87.3	Confident	86.4	Confident	54 Å²	54	50.5 Å²	50.5	33%	0.327	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-38.9	178.3	-177.1	0	0	0	0	111.8	A625 R626 A640 D642 T644 F646	V622-A625 PolarHBondContact O-N 3.48Å; V622-R626 WeakPolarHBondContact O-CB 3Å; V622-R626 PolarHBondContact O-N 3.41Å; V622-A640 HydrophobicContact CB-CB 4.37Å; V622-A640 HydrophobicContact CG2-CB 3.84Å; V622-D642 WeakPolarHBondContact CG2-OD2 3.41Å; V622-T644 HydrophobicContact CG1-CG2 4.04Å; V622-F646 HydrophobicContact CG1-CE2 4.1Å; V622-F646 HydrophobicContact CG1-CZ 3.93Å
623	E	85.8	Confident	85.8	Confident	162 Å²	162	56.2 Å²	56.2	76%	0.757	31%	0.305	S	S	*	.	H	α-helix	trans	-64.4	-42.1	178.2	-62.4	-171.3	166.8	0	0	111.7	N621 R626 R627	N621-E623 VanDerWaalsContact C-N 3.33Å; N621-E623 PolarHBondContact O-N 3.24Å; E623-R626 PolarHBondContact O-N 3.07Å; E623-R627 WeakPolarHBondContact O-CB 3.37Å; E623-R627 PolarHBondContact O-N 3.44Å
624	D	86.5	Confident	85.4	Confident	39 Å²	39	64.5 Å²	64.5	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-44.6	174.5	-71.9	-43	0	0	0	111.6	C619 N621 R626 R627 I628	C619-D624 HydrophobicContact CB-CB 4.33Å; N621-D624 PolarHBondContact O-N 3.03Å; D624-R626 VanDerWaalsContact C-N 3.31Å; D624-R626 PolarHBondContact O-N 2.89Å; D624-R627 PolarHBondContact O-N 2.91Å; D624-R627 IonicContact OD1-CZ 2.75Å; D624-R627 IonicContact OD1-NE 2.91Å; D624-R627 IonicContact OD1-NH2 3.52Å; D624-R627 PolarHBondContact OD1-NH2 2.76Å; D624-I628 WeakPolarHBondContact O-CB 3.38Å; D624-I628 VanDerWaalsContact O-CG1 3.3Å; D624-I628 WeakPolarHBondContact O-CG1 3.26Å; D624-I628 PolarHBondContact O-N 3.39Å
625	A	86.4	Confident	85.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.3	-44	175.5	0	0	0	0	0	111.6	C619 N621 V622 A629 T638 A640 F646	C619-A625 HydrophobicContact CB-CB 3.9Å; N621-A625 WeakPolarHBondContact O-CB 3.4Å; N621-A625 PolarHBondContact O-N 3.27Å; V622-A625 PolarHBondContact O-N 3.48Å; A625-A629 WeakPolarHBondContact O-CB 3.26Å; A625-A629 PolarHBondContact O-N 3.5Å; A625-T638 PolarHBondContact O-OG1 3.24Å; A625-A640 HydrophobicContact CB-CB 4.01Å; A625-F646 HydrophobicContact CB-CD2 3.83Å; A625-F646 HydrophobicContact CB-CE2 3.79Å
626	R	86.9	Confident	85.4	Confident	164 Å²	164	69.7 Å²	69.7	62%	0.619	35%	0.346	S	S	*	.	H	α-helix	trans	-65.1	-46.7	177	-177.9	-176.4	173.8	-169.9	-1.1	111.7	V622 E623 D624 I628 A629 F630 F646	V622-R626 WeakPolarHBondContact O-CB 3Å; V622-R626 PolarHBondContact O-N 3.41Å; E623-R626 PolarHBondContact O-N 3.07Å; D624-R626 VanDerWaalsContact C-N 3.31Å; D624-R626 PolarHBondContact O-N 2.89Å; R626-I628 VanDerWaalsContact C-N 3.34Å; R626-I628 PolarHBondContact O-N 3.47Å; R626-A629 PolarHBondContact O-N 3.13Å; R626-F630 HydrophobicContact CG-CD2 4.26Å; R626-F630 PolarHBondContact O-N 3.49Å; R626-F630 VanDerWaalsContact O-N 3.08Å; R626-F646 HydrophobicContact CB-CE1 4.01Å; R626-F646 HydrophobicContact CB-CE2 4.22Å; R626-F646 HydrophobicContact CB-CZ 3.78Å; R626-F646 HydrophobicContact CG-CE1 4.16Å; R626-F646 HydrophobicContact CG-CZ 4.39Å
627	R	85.6	Confident	85.4	Confident	158 Å²	158	72.3 Å²	72.3	60%	0.596	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-44.1	179.6	-179.5	176.2	59.7	163.5	-4.1	111.2	E623 D624 G631	E623-R627 WeakPolarHBondContact O-CB 3.37Å; E623-R627 PolarHBondContact O-N 3.44Å; D624-R627 PolarHBondContact O-N 2.91Å; D624-R627 IonicContact OD1-CZ 2.75Å; D624-R627 IonicContact OD1-NE 2.91Å; D624-R627 IonicContact OD1-NH2 3.52Å; D624-R627 PolarHBondContact OD1-NH2 2.76Å; R627-G631 WeakPolarHBondContact O-CA 3.31Å; R627-G631 PolarHBondContact O-N 2.95Å
628	I	85.3	Confident	85.4	Confident	24 Å²	24	72.3 Å²	72.3	12%	0.123	36%	0.358	C	S	.	.	H	α-helix	trans	-73.8	-31.6	179.1	-63.7	172.5	0	0	0	111.3	A591 L617 D624 R626 H636 T638	A591-I628 HydrophobicContact CB-CD1 3.78Å; L617-I628 HydrophobicContact CD1-CG2 4.08Å; D624-I628 WeakPolarHBondContact O-CB 3.38Å; D624-I628 VanDerWaalsContact O-CG1 3.3Å; D624-I628 WeakPolarHBondContact O-CG1 3.26Å; D624-I628 PolarHBondContact O-N 3.39Å; R626-I628 VanDerWaalsContact C-N 3.34Å; R626-I628 PolarHBondContact O-N 3.47Å; I628-H636 PolarHBondContact O-CD2 3.15Å; I628-T638 HydrophobicContact CB-CG2 4.13Å; I628-T638 HydrophobicContact CG2-CG2 3.83Å
629	A	85.8	Confident	85.4	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-41	177	0	0	0	0	0	113.7	A625 R626 R635 H636 T638 F646	A625-A629 WeakPolarHBondContact O-CB 3.26Å; A625-A629 PolarHBondContact O-N 3.5Å; R626-A629 PolarHBondContact O-N 3.13Å; A629-R635 VanDerWaalsContact O-CA 3.29Å; A629-R635 WeakPolarHBondContact O-CA 3.15Å; A629-H636 PolarHBondContact O-N 2.93Å; A629-H636 VanDerWaalsContact O-N 3.13Å; A629-T638 HydrophobicContact CB-CG2 4.05Å; A629-T638 WeakPolarHBondContact CB-OG1 3.47Å; A629-F646 HydrophobicContact CB-CB 3.64Å; A629-F646 HydrophobicContact CB-CG 4.2Å
630	F	86.1	Confident	85.4	Confident	65 Å²	65	71.9 Å²	71.9	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-127.5	-11.1	-168.1	-55.3	-52.4	0	0	0	115.8	R626 R635 F646	R626-F630 HydrophobicContact CG-CD2 4.26Å; R626-F630 PolarHBondContact O-N 3.49Å; R626-F630 VanDerWaalsContact O-N 3.08Å; F630-R635 HydrophobicContact CD1-CG 4.32Å; F630-F646 HydrophobicContact CE2-CB 4.44Å; F630-F646 AromaticContact CE2-CD1 3.61Å; F630-F646 HydrophobicContact CE2-CD1 3.61Å; F630-F646 HydrophobicContact CE2-CE1 4.33Å; F630-F646 HydrophobicContact CE2-CG 4.41Å; F630-F646 HydrophobicContact CZ-CB 4.34Å; F630-F646 HydrophobicContact CZ-CD1 4.16Å
631	G	76.8	Confident	85.5	Confident	65 Å²	65	68.5 Å²	68.5	67%	0.67	34%	0.341	S	S	*	.	S	Bend	trans	-86.3	-8	-173	0	0	0	0	0	115.6	R627	R627-G631 WeakPolarHBondContact O-CA 3.31Å; R627-G631 PolarHBondContact O-N 2.95Å
632	G	77.8	Confident	85.3	Confident	39 Å²	39	67.4 Å²	67.4	40%	0.402	34%	0.335	S	S	.	.	S	Bend	trans	-102.5	174.1	177.3	0	0	0	0	0	113.7	Y634	G632-Y634 PolarHBondContact O-N 2.73Å
633	P	72.4	Confident	85.1	Confident	127 Å²	127	65 Å²	65	83%	0.825	32%	0.321	S	S	*	.	S	Bend	trans	-64.7	-18.7	176.6	25.1	-32.6	0	0	0	113.3
634	Y	79	Confident	85.3	Confident	174 Å²	174	58.4 Å²	58.4	68%	0.682	29%	0.292	S	S	*	.	S	Bend	trans	-121.4	141.4	175.6	-58.4	-75.7	0	0	0	110.2	G632 H636	G632-Y634 PolarHBondContact O-N 2.73Å; Y634-H636 PolarHBondContact O-CD2 2.95Å; Y634-H636 VanDerWaalsContact O-CD2 3.23Å; Y634-H636 PolarHBondContact O-NE2 3.39Å
635	R	84.2	Confident	85.4	Confident	142 Å²	142	57 Å²	57	54%	0.536	28%	0.284	S	S	.	.			trans	-85	132.4	175.9	-66.1	-174.2	177.3	-176.6	-0.3	111.3	A629 F630 K648	A629-R635 VanDerWaalsContact O-CA 3.29Å; A629-R635 WeakPolarHBondContact O-CA 3.15Å; F630-R635 HydrophobicContact CD1-CG 4.32Å; R635-K648 HydrophobicContact CB-CB 4.41Å; R635-K648 VanDerWaalsContact CD-O 3.28Å; R635-K648 WeakPolarHBondContact CD-O 3.42Å; R635-K648 WeakPolarHBondContact O-CD 3.45Å; R635-K648 WeakPolarHBondContact O-CE 3.45Å; R635-K648 WeakPolarHBondContact O-CG 3.23Å
636	H	88.1	Confident	85.6	Confident	34 Å²	34	57.3 Å²	57.3	16%	0.157	29%	0.286	C	S	.	.			trans	-114	150.8	-179.9	-59.8	-78	0	0	0	111.5	L585 L617 I628 A629 Y634 T638	L585-H636 VanDerWaalsContact CD2-CE1 3.45Å; L585-H636 WeakPolarHBondContact CD2-CE1 3.4Å; L585-H636 WeakPolarHBondContact CD2-ND1 3.16Å; L617-H636 HydrophobicContact CD1-CB 4.33Å; I628-H636 PolarHBondContact O-CD2 3.15Å; A629-H636 PolarHBondContact O-N 2.93Å; A629-H636 VanDerWaalsContact O-N 3.13Å; Y634-H636 PolarHBondContact O-CD2 2.95Å; Y634-H636 VanDerWaalsContact O-CD2 3.23Å; Y634-H636 PolarHBondContact O-NE2 3.39Å; H636-T638 HydrophobicContact CB-CG2 4.24Å
637	K	90	Very high	85.6	Confident	55 Å²	55	53 Å²	53	24%	0.239	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.5	171.7	179.9	-179.6	174.6	-170.2	0	106.9	A616 L617 L645 F646 K648	A616-K637 CarbonylContact C-O 3.45Å; A616-K637 WeakPolarHBondContact CA-O 3.39Å; A616-K637 HydrophobicContact CB-CD 4Å; A616-K637 HydrophobicContact CB-CG 4.17Å; L617-K637 PolarHBondContact N-O 2.74Å; K637-L645 HydrophobicContact CG-CD1 4.29Å; K637-F646 WeakPolarHBondContact CA-O 3.31Å; K637-K648 HydrophobicContact CB-CG 4.4Å
638	T	91.2	Very high	85.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.2	-177.9	68.2	0	0	0	0	111.1	L617 A625 I628 A629 H636 L645 F646	L617-T638 HydrophobicContact CB-CG2 4.2Å; L617-T638 CarbonylContact O-C 3.58Å; L617-T638 WeakPolarHBondContact O-CA 3.26Å; A625-T638 PolarHBondContact O-OG1 3.24Å; I628-T638 HydrophobicContact CB-CG2 4.13Å; I628-T638 HydrophobicContact CG2-CG2 3.83Å; A629-T638 HydrophobicContact CB-CG2 4.05Å; A629-T638 WeakPolarHBondContact CB-OG1 3.47Å; H636-T638 HydrophobicContact CB-CG2 4.24Å; T638-L645 WeakPolarHBondContact O-CD1 3.32Å; T638-F646 PolarHBondContact N-O 2.9Å; T638-F646 PolarHBondContact O-N 3.13Å
639	V	91.8	Very high	85.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.8	175.4	66.1	0	0	0	0	109.2	A533 K536 V537 V594 L617 V618 C619 T644 L645	A533-V639 HydrophobicContact CB-CG1 3.95Å; A533-V639 HydrophobicContact CB-CG2 4.12Å; K536-V639 HydrophobicContact CB-CG2 4.14Å; K536-V639 HydrophobicContact CG-CG2 4.25Å; V537-V639 HydrophobicContact CG2-CB 3.98Å; V537-V639 HydrophobicContact CG2-CG1 3.61Å; V537-V639 HydrophobicContact CG2-CG2 4.33Å; V594-V639 HydrophobicContact CG2-CG1 4.15Å; L617-V639 PolarHBondContact O-N 2.97Å; V618-V639 CarbonylContact C-O 3.55Å; V618-V639 WeakPolarHBondContact CA-O 3.42Å; V618-V639 HydrophobicContact CB-CG1 4.03Å; V618-V639 HydrophobicContact CG2-CG1 4.17Å; C619-V639 PolarHBondContact N-O 2.97Å; V639-T644 WeakPolarHBondContact CA-O 3.27Å; V639-L645 HydrophobicContact CB-CD1 3.92Å; V639-L645 HydrophobicContact CG2-CD1 4.28Å
640	A	91.6	Very high	84.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	162.2	171.1	0	0	0	0	0	111.2	C619 V622 A625 D642 G643 T644	C619-A640 WeakPolarHBondContact O-CA 3.41Å; V622-A640 HydrophobicContact CB-CB 4.37Å; V622-A640 HydrophobicContact CG2-CB 3.84Å; A625-A640 HydrophobicContact CB-CB 4.01Å; A640-D642 VanDerWaalsContact CB-OD1 3.23Å; A640-D642 WeakPolarHBondContact CB-OD1 3.45Å; A640-D642 PolarHBondContact O-N 3.14Å; A640-G643 PolarHBondContact O-N 3.39Å; A640-T644 PolarHBondContact N-O 3.1Å
641	L	88.8	Confident	84.7	Confident	41 Å²	41	55.3 Å²	55.3	22%	0.215	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.5	-178.7	-65.2	178.4	0	0	0	113.6	Y530 V618 C619 E620 G643	Y530-L641 HydrophobicContact CD1-CD2 3.61Å; Y530-L641 HydrophobicContact CE1-CD2 3.95Å; V618-L641 HydrophobicContact CG2-CD2 3.93Å; C619-L641 PolarHBondContact O-N 3.29Å; E620-L641 HydrophobicContact CB-CD1 4.32Å; L641-G643 PolarHBondContact O-N 3.25Å
642	D	85.1	Confident	85.2	Confident	72 Å²	72	57.1 Å²	57.1	39%	0.385	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.1	176.2	72.7	-18.3	0	0	0	113.8	V622 A640 T644	V622-D642 WeakPolarHBondContact CG2-OD2 3.41Å; A640-D642 VanDerWaalsContact CB-OD1 3.23Å; A640-D642 WeakPolarHBondContact CB-OD1 3.45Å; A640-D642 PolarHBondContact O-N 3.14Å; D642-T644 VanDerWaalsContact CG-OG1 3.29Å; D642-T644 VanDerWaalsContact OD1-CB 3.29Å; D642-T644 WeakPolarHBondContact OD1-CB 3.33Å; D642-T644 PolarHBondContact OD1-N 3.01Å; D642-T644 PolarHBondContact OD1-OG1 3.34Å; D642-T644 VanDerWaalsContact OD1-OG1 3.08Å; D642-T644 PolarHBondContact OD2-OG1 3.06Å
643	G	82.9	Confident	85.3	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	30%	0.299	C	S	.	.	S	Bend	trans	90	9.3	-178.5	0	0	0	0	0	114.6	K536 A640 L641 L645	K536-G643 WeakPolarHBondContact CD-O 3.35Å; K536-G643 WeakPolarHBondContact CE-O 3.01Å; K536-G643 WeakPolarHBondContact CG-O 3.45Å; A640-G643 PolarHBondContact O-N 3.39Å; L641-G643 PolarHBondContact O-N 3.25Å; G643-L645 PolarHBondContact O-N 3.08Å
644	T	88.9	Confident	85.2	Confident	23 Å²	23	53.9 Å²	53.9	14%	0.141	29%	0.288	C	S	.	.			trans	-72	115.5	172	-58.8	0	0	0	0	109.8	V622 V639 A640 D642 F646 I652	V622-T644 HydrophobicContact CG1-CG2 4.04Å; V639-T644 WeakPolarHBondContact CA-O 3.27Å; A640-T644 PolarHBondContact N-O 3.1Å; D642-T644 VanDerWaalsContact CG-OG1 3.29Å; D642-T644 VanDerWaalsContact OD1-CB 3.29Å; D642-T644 WeakPolarHBondContact OD1-CB 3.33Å; D642-T644 PolarHBondContact OD1-N 3.01Å; D642-T644 PolarHBondContact OD1-OG1 3.34Å; D642-T644 VanDerWaalsContact OD1-OG1 3.08Å; D642-T644 PolarHBondContact OD2-OG1 3.06Å; T644-F646 HydrophobicContact CG2-CE2 3.77Å; T644-F646 HydrophobicContact CG2-CZ 3.87Å; T644-I652 HydrophobicContact CG2-CG2 4.25Å
645	L	89.3	Confident	84.7	Confident	11 Å²	11	48 Å²	48	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.1	-176.1	-179.7	74.6	0	0	0	111	K536 V537 K637 T638 V639 G643 Q647 I652 S653	K536-L645 HydrophobicContact CG-CB 3.87Å; K536-L645 HydrophobicContact CG-CD2 4.41Å; V537-L645 HydrophobicContact CG2-CD1 4.32Å; K637-L645 HydrophobicContact CG-CD1 4.29Å; T638-L645 WeakPolarHBondContact O-CD1 3.32Å; V639-L645 HydrophobicContact CB-CD1 3.92Å; V639-L645 HydrophobicContact CG2-CD1 4.28Å; G643-L645 PolarHBondContact O-N 3.08Å; L645-Q647 HydrophobicContact CD2-CG 4.33Å; L645-I652 WeakPolarHBondContact O-CA 3.45Å; L645-S653 PolarHBondContact N-O 2.8Å; L645-S653 PolarHBondContact O-N 3.26Å
646	F	89.5	Confident	83.6	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121	171.7	-61	-86.8	0	0	0	109.8	V622 A625 R626 A629 F630 K637 T638 T644 I652	V622-F646 HydrophobicContact CG1-CE2 4.1Å; V622-F646 HydrophobicContact CG1-CZ 3.93Å; A625-F646 HydrophobicContact CB-CD2 3.83Å; A625-F646 HydrophobicContact CB-CE2 3.79Å; R626-F646 HydrophobicContact CB-CE1 4.01Å; R626-F646 HydrophobicContact CB-CE2 4.22Å; R626-F646 HydrophobicContact CB-CZ 3.78Å; R626-F646 HydrophobicContact CG-CE1 4.16Å; R626-F646 HydrophobicContact CG-CZ 4.39Å; A629-F646 HydrophobicContact CB-CB 3.64Å; A629-F646 HydrophobicContact CB-CG 4.2Å; F630-F646 HydrophobicContact CE2-CB 4.44Å; F630-F646 AromaticContact CE2-CD1 3.61Å; F630-F646 HydrophobicContact CE2-CD1 3.61Å; F630-F646 HydrophobicContact CE2-CE1 4.33Å; F630-F646 HydrophobicContact CE2-CG 4.41Å; F630-F646 HydrophobicContact CZ-CB 4.34Å; F630-F646 HydrophobicContact CZ-CD1 4.16Å; K637-F646 WeakPolarHBondContact CA-O 3.31Å; T638-F646 PolarHBondContact N-O 2.9Å; T638-F646 PolarHBondContact O-N 3.13Å; T644-F646 HydrophobicContact CG2-CE2 3.77Å; T644-F646 HydrophobicContact CG2-CZ 3.87Å; F646-I652 HydrophobicContact CD1-CB 4.44Å; F646-I652 HydrophobicContact CD1-CD1 4.1Å; F646-I652 HydrophobicContact CD1-CG1 3.76Å; F646-I652 HydrophobicContact CD1-CG2 4.09Å; F646-I652 HydrophobicContact CE1-CB 4.46Å; F646-I652 HydrophobicContact CE1-CD1 3.81Å; F646-I652 HydrophobicContact CE1-CG1 3.9Å; F646-I652 HydrophobicContact CE1-CG2 3.78Å; F646-I652 HydrophobicContact CZ-CG2 4.34Å
647	Q	87.9	Confident	82.4	Confident	73 Å²	73	46.7 Å²	46.7	34%	0.341	30%	0.299	S	S	.	.			trans	-94.6	155.8	176.5	-62.8	-171.4	-4.8	0	0	111.8	L645 S649 G650 V651	L645-Q647 HydrophobicContact CD2-CG 4.33Å; Q647-S649 WeakPolarHBondContact CB-OG 3.5Å; Q647-S649 PolarHBondContact O-N 2.96Å; Q647-S649 PolarHBondContact OE1-OG 3.19Å; Q647-G650 PolarHBondContact O-N 3.14Å; Q647-V651 HydrophobicContact CB-CB 4.29Å; Q647-V651 HydrophobicContact CG-CB 4.44Å; Q647-V651 PolarHBondContact N-O 3.04Å
648	K	83.5	Confident	81.2	Confident	107 Å²	107	48.6 Å²	48.6	47%	0.465	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.4	175.3	-61	-171.6	176.1	-172.3	0	113	R635 K637 G650	R635-K648 HydrophobicContact CB-CB 4.41Å; R635-K648 VanDerWaalsContact CD-O 3.28Å; R635-K648 WeakPolarHBondContact CD-O 3.42Å; R635-K648 WeakPolarHBondContact O-CD 3.45Å; R635-K648 WeakPolarHBondContact O-CE 3.45Å; R635-K648 WeakPolarHBondContact O-CG 3.23Å; K637-K648 HydrophobicContact CB-CG 4.4Å; K648-G650 PolarHBondContact O-N 3.41Å
649	S	81.3	Confident	80.2	Confident	79 Å²	79	49.5 Å²	49.5	55%	0.552	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-12.5	175.9	51.9	0	0	0	0	113.9	Q647	Q647-S649 WeakPolarHBondContact CB-OG 3.5Å; Q647-S649 PolarHBondContact O-N 2.96Å; Q647-S649 PolarHBondContact OE1-OG 3.19Å
650	G	75.4	Confident	79.1	Confident	32 Å²	32	55 Å²	55	33%	0.33	34%	0.34	S	S	.	.	S	Bend	trans	94	-3.3	-174.5	0	0	0	0	0	114.2	Q647 K648	Q647-G650 PolarHBondContact O-N 3.14Å; K648-G650 PolarHBondContact O-N 3.41Å
651	V	83.8	Confident	77.9	Confident	77 Å²	77	57.8 Å²	57.8	47%	0.467	36%	0.363	S	S	.	.			trans	-70.5	129.6	175.8	178.9	0	0	0	0	110.3	Q647	Q647-V651 HydrophobicContact CB-CB 4.29Å; Q647-V651 HydrophobicContact CG-CB 4.44Å; Q647-V651 PolarHBondContact N-O 3.04Å
652	I	86.3	Confident	76.9	Confident	103 Å²	103	60 Å²	60	53%	0.528	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.2	175.2	-51.5	175.7	0	0	0	108	T644 L645 F646	T644-I652 HydrophobicContact CG2-CG2 4.25Å; L645-I652 WeakPolarHBondContact O-CA 3.45Å; F646-I652 HydrophobicContact CD1-CB 4.44Å; F646-I652 HydrophobicContact CD1-CD1 4.1Å; F646-I652 HydrophobicContact CD1-CG1 3.76Å; F646-I652 HydrophobicContact CD1-CG2 4.09Å; F646-I652 HydrophobicContact CE1-CB 4.46Å; F646-I652 HydrophobicContact CE1-CD1 3.81Å; F646-I652 HydrophobicContact CE1-CG1 3.9Å; F646-I652 HydrophobicContact CE1-CG2 3.78Å; F646-I652 HydrophobicContact CZ-CG2 4.34Å
653	S	79.8	Confident	76.1	Confident	43 Å²	43	56.9 Å²	56.9	30%	0.301	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.2	-179.7	-178.3	0	0	0	0	110.9	K536 L645	K536-S653 WeakPolarHBondContact CE-OG 3.27Å; K536-S653 PolarHBondContact NZ-OG 3.28Å; L645-S653 PolarHBondContact N-O 2.8Å; L645-S653 PolarHBondContact O-N 3.26Å
654	G	71.2	Confident	75.5	Confident	56 Å²	56	64.2 Å²	64.2	58%	0.577	38%	0.382	S	S	*	.			trans	-130.8	155.1	177.1	0	0	0	0	0	112.2
655	G	67.9	Low	74.6	Confident	49 Å²	49	66 Å²	66	51%	0.505	39%	0.385	S	S	.	.			trans	157.4	91.9	-179.4	0	0	0	0	0	111.7
656	A	61.4	Low	73.7	Confident	45 Å²	45	66.2 Å²	66.2	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-81.1	-25.3	-169.5	0	0	0	0	0	114.5	K660	A656-K660 VanDerWaalsContact O-CB 3.29Å; A656-K660 WeakPolarHBondContact O-CB 3.49Å; A656-K660 WeakPolarHBondContact O-CG 3.26Å; A656-K660 PolarHBondContact O-N 3.33Å
657	S	61.8	Low	72.6	Confident	105 Å²	105	69 Å²	69	73%	0.734	40%	0.401	S	S	*	.	H	α-helix	trans	-70.1	-57.6	-173.9	177.4	0	0	0	0	112.7	L659 K660 A661	S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 3.33Å; S657-K660 PolarHBondContact O-N 3.34Å; S657-A661 PolarHBondContact O-N 3Å
658	D	65.5	Low	71.5	Confident	94 Å²	94	70 Å²	70	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-33.1	177.9	-174.6	40.5	0	0	0	112.1	A661 K662	D658-A661 PolarHBondContact O-N 3.39Å; D658-K662 PolarHBondContact O-N 3.18Å; D658-K662 IonicContact OD1-NZ 3.33Å; D658-K662 IonicContact OD2-NZ 2.78Å; D658-K662 PolarHBondContact OD2-NZ 2.95Å
659	L	69.6	Low	70.4	Confident	19 Å²	19	71.5 Å²	71.5	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-70.1	-36.5	175.6	-116.8	90.8	0	0	0	113.4	I532 K536 S657 A661 K662 A663	I532-L659 HydrophobicContact CG2-CD2 3.78Å; I532-L659 WeakPolarHBondContact O-CD2 3.49Å; K536-L659 HydrophobicContact CB-CD2 3.64Å; K536-L659 HydrophobicContact CD-CD1 3.64Å; K536-L659 HydrophobicContact CD-CD2 3.65Å; K536-L659 HydrophobicContact CD-CG 4.29Å; K536-L659 HydrophobicContact CG-CD2 4.16Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 3.33Å; L659-A661 VanDerWaalsContact C-N 3.34Å; L659-K662 PolarHBondContact O-N 3.41Å; L659-A663 VanDerWaalsContact O-CB 3.22Å; L659-A663 WeakPolarHBondContact O-CB 3.1Å; L659-A663 PolarHBondContact O-N 3.2Å
660	K	69.5	Low	69.6	Low	117 Å²	117	70.3 Å²	70.3	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-38.9	175	-82.4	174.3	-179.1	-178.2	0	111	I532 A656 S657 A663 R664	I532-K660 HydrophobicContact CD1-CG 4.01Å; A656-K660 VanDerWaalsContact O-CB 3.29Å; A656-K660 WeakPolarHBondContact O-CB 3.49Å; A656-K660 WeakPolarHBondContact O-CG 3.26Å; A656-K660 PolarHBondContact O-N 3.33Å; S657-K660 PolarHBondContact O-N 3.34Å; K660-A663 PolarHBondContact O-N 2.93Å; K660-R664 WeakPolarHBondContact O-CG 3.37Å; K660-R664 PolarHBondContact O-N 2.99Å
661	A	66.6	Low	69.2	Low	58 Å²	58	70.5 Å²	70.5	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-62.4	-46.8	173.8	0	0	0	0	0	111.6	S657 D658 L659 A663 R664	S657-A661 PolarHBondContact O-N 3Å; D658-A661 PolarHBondContact O-N 3.39Å; L659-A661 VanDerWaalsContact C-N 3.34Å; A661-A663 PolarHBondContact O-N 3.46Å; A661-R664 PolarHBondContact O-N 3.2Å
662	K	68.4	Low	68.4	Low	89 Å²	89	70.5 Å²	70.5	39%	0.387	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-34.9	176.4	-74.4	169.5	-179.2	155.3	0	113.4	T535 D658 L659 R664 R665	T535-K662 HydrophobicContact CG2-CB 4.03Å; D658-K662 PolarHBondContact O-N 3.18Å; D658-K662 IonicContact OD1-NZ 3.33Å; D658-K662 IonicContact OD2-NZ 2.78Å; D658-K662 PolarHBondContact OD2-NZ 2.95Å; L659-K662 PolarHBondContact O-N 3.41Å; K662-R664 VanDerWaalsContact C-N 3.3Å; K662-R664 PolarHBondContact O-N 2.88Å; K662-R665 WeakPolarHBondContact O-CB 3.43Å; K662-R665 WeakPolarHBondContact O-CG 3.36Å; K662-R665 PolarHBondContact O-N 3.11Å
663	A	67.9	Low	67.7	Low	5 Å²	5	72.9 Å²	72.9	4%	0.041	41%	0.406	C	S	.	.	H	α-helix	trans	-70.1	-22.6	177.5	0	0	0	0	0	113.5	I532 L659 K660 A661 R665 W666	I532-A663 HydrophobicContact CG1-CB 4.32Å; L659-A663 VanDerWaalsContact O-CB 3.22Å; L659-A663 WeakPolarHBondContact O-CB 3.1Å; L659-A663 PolarHBondContact O-N 3.2Å; K660-A663 PolarHBondContact O-N 2.93Å; A661-A663 PolarHBondContact O-N 3.46Å; A663-R665 PolarHBondContact O-N 3.39Å; A663-W666 PolarHBondContact O-N 2.96Å
664	R	70.2	Confident	67.5	Low	158 Å²	158	72.5 Å²	72.5	60%	0.596	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.8	172.2	-72.7	175.4	-177.6	-173.1	-1.3	113	D490 K660 A661 K662 W666 D667	D490-R664 IonicContact OD2-NH1 3.3Å; D490-R664 PolarHBondContact OD2-NH1 2.83Å; D490-R664 VanDerWaalsContact OD2-NH1 3.11Å; K660-R664 WeakPolarHBondContact O-CG 3.37Å; K660-R664 PolarHBondContact O-N 2.99Å; A661-R664 PolarHBondContact O-N 3.2Å; K662-R664 VanDerWaalsContact C-N 3.3Å; K662-R664 PolarHBondContact O-N 2.88Å; R664-W666 PolarHBondContact O-N 3.06Å; R664-D667 WeakPolarHBondContact O-CB 3.4Å; R664-D667 PolarHBondContact O-N 2.91Å
665	R	70.1	Confident	67.6	Low	59 Å²	59	74.1 Å²	74.1	22%	0.223	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.4	176.3	-65.4	178.9	63.5	-164.9	-8.5	113.2	I520 D543 K662 A663 D667 E668	I520-R665 HydrophobicContact CD1-CB 3.89Å; D543-R665 IonicContact OD1-CZ 3.79Å; D543-R665 IonicContact OD1-NH1 3.32Å; D543-R665 PolarHBondContact OD1-NH1 2.89Å; D543-R665 VanDerWaalsContact OD1-NH1 3.08Å; D543-R665 IonicContact OD1-NH2 3.95Å; D543-R665 PolarHBondContact OD1-NH2 3.4Å; D543-R665 IonicContact OD2-CZ 2.6Å; D543-R665 IonicContact OD2-NH1 3.02Å; D543-R665 PolarHBondContact OD2-NH1 3.41Å; D543-R665 IonicContact OD2-NH2 2.65Å; K662-R665 WeakPolarHBondContact O-CB 3.43Å; K662-R665 WeakPolarHBondContact O-CG 3.36Å; K662-R665 PolarHBondContact O-N 3.11Å; A663-R665 PolarHBondContact O-N 3.39Å; R665-D667 PolarHBondContact O-N 2.95Å; R665-E668 PolarHBondContact O-N 2.92Å
666	W	70.4	Confident	68.2	Low	17 Å²	17	77.4 Å²	77.4	6%	0.064	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-68	-13.2	173.7	-62.3	110.9	0	0	0	113.5	I520 C523 T535 L538 M542 A663 R664	I520-W666 HydrophobicContact CB-CH2 4.28Å; I520-W666 HydrophobicContact CB-CZ3 4.27Å; I520-W666 HydrophobicContact CG1-CD2 4.28Å; I520-W666 HydrophobicContact CG1-CE3 3.82Å; I520-W666 HydrophobicContact CG1-CH2 3.76Å; I520-W666 HydrophobicContact CG1-CZ2 4.2Å; I520-W666 HydrophobicContact CG1-CZ3 3.53Å; I520-W666 WeakPolarHBondContact O-CZ3 3.44Å; C523-W666 WeakPolarHBondContact O-CZ3 3.27Å; T535-W666 PolarHBondContact OG1-NE1 3.43Å; L538-W666 HydrophobicContact CD1-CH2 4.03Å; L538-W666 HydrophobicContact CD1-CZ2 3.99Å; M542-W666 HydrophobicContact CG-CZ2 4.39Å; M542-W666 HydrophobicContact SD-CZ2 4.26Å; A663-W666 PolarHBondContact O-N 2.96Å; R664-W666 PolarHBondContact O-N 3.06Å
667	D	66.8	Low	69.1	Low	64 Å²	64	80.3 Å²	80.3	34%	0.342	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-93.6	5.8	-179.1	-63.5	-29.1	0	0	0	113.4	R664 R665 K669 A670 V671	R664-D667 WeakPolarHBondContact O-CB 3.4Å; R664-D667 PolarHBondContact O-N 2.91Å; R665-D667 PolarHBondContact O-N 2.95Å; D667-K669 VanDerWaalsContact C-N 3.29Å; D667-K669 PolarHBondContact O-N 2.73Å; D667-A670 WeakPolarHBondContact O-CA 3.1Å; D667-A670 VanDerWaalsContact O-CB 3.25Å; D667-A670 WeakPolarHBondContact O-CB 3.42Å; D667-A670 PolarHBondContact O-N 3.26Å; D667-V671 PolarHBondContact O-N 2.83Å
668	E	64.1	Low	70.2	Confident	95 Å²	95	78.9 Å²	78.9	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-35.5	-177.6	-162.3	167.1	-161.1	0	0	112.9	R665 A670 V671 D672	R665-E668 PolarHBondContact O-N 2.92Å; E668-A670 PolarHBondContact O-N 2.75Å; E668-V671 WeakPolarHBondContact O-CB 2.96Å; E668-V671 PolarHBondContact O-N 3.03Å; E668-V671 VanDerWaalsContact O-N 3.11Å; E668-D672 PolarHBondContact O-N 2.76Å
669	K	60.8	Low	70.9	Confident	137 Å²	137	81.1 Å²	81.1	60%	0.596	39%	0.386	S	S	*	.	H	α-helix	trans	-63.8	-22.8	172.8	-72.2	-179.2	179.8	171.8	0	113.7	D667 K673	D667-K669 VanDerWaalsContact C-N 3.29Å; D667-K669 PolarHBondContact O-N 2.73Å; K669-K673 WeakPolarHBondContact O-CG 3.34Å; K669-K673 PolarHBondContact O-N 3.31Å
670	A	63.9	Low	71.7	Confident	54 Å²	54	87.1 Å²	87.1	45%	0.446	41%	0.411	S	S	.	.	H	α-helix	trans	-77.6	-33.8	174.8	0	0	0	0	0	111.4	D667 E668 L674	D667-A670 WeakPolarHBondContact O-CA 3.1Å; D667-A670 VanDerWaalsContact O-CB 3.25Å; D667-A670 WeakPolarHBondContact O-CB 3.42Å; D667-A670 PolarHBondContact O-N 3.26Å; E668-A670 PolarHBondContact O-N 2.75Å; A670-L674 WeakPolarHBondContact O-CG 3.29Å; A670-L674 PolarHBondContact O-N 2.79Å
671	V	67.6	Low	72.5	Confident	37 Å²	37	81.9 Å²	81.9	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-68.2	-39.6	177.1	178.4	0	0	0	0	111.4	L484 A487 D667 E668 L674 K675	L484-V671 HydrophobicContact CD2-CG1 4.1Å; A487-V671 HydrophobicContact CB-CG2 4.15Å; D667-V671 PolarHBondContact O-N 2.83Å; E668-V671 WeakPolarHBondContact O-CB 2.96Å; E668-V671 PolarHBondContact O-N 3.03Å; E668-V671 VanDerWaalsContact O-N 3.11Å; V671-L674 WeakPolarHBondContact O-CB 3.4Å; V671-L674 PolarHBondContact O-N 2.87Å; V671-K675 PolarHBondContact O-N 3.18Å
672	D	66.3	Low	73.2	Confident	77 Å²	77	81.4 Å²	81.4	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-69.3	-36.7	177.9	-71	-25.2	0	0	0	112.5	E668 L674 K675 E676	E668-D672 PolarHBondContact O-N 2.76Å; D672-L674 VanDerWaalsContact C-N 3.28Å; D672-L674 PolarHBondContact O-N 2.96Å; D672-K675 PolarHBondContact O-N 2.9Å; D672-K675 VanDerWaalsContact O-N 3.16Å; D672-K675 IonicContact OD1-NZ 3.99Å; D672-K675 PolarHBondContact OD1-NZ 2.84Å; D672-E676 PolarHBondContact O-N 2.77Å
673	K	72.5	Confident	74.1	Confident	152 Å²	152	83.7 Å²	83.7	66%	0.661	39%	0.392	S	S	*	.	H	α-helix	trans	-60.6	-36.1	170.2	-74.3	-178.9	179.1	-174.9	0	112.8	K669 K677	K669-K673 WeakPolarHBondContact O-CG 3.34Å; K669-K673 PolarHBondContact O-N 3.31Å; K673-K677 WeakPolarHBondContact O-CB 3.44Å; K673-K677 PolarHBondContact O-N 3.2Å
674	L	75.1	Confident	75.1	Confident	36 Å²	36	86.4 Å²	86.4	19%	0.188	40%	0.403	C	S	.	.	H	α-helix	trans	-70.5	-34.7	175.8	-70.4	170.3	0	0	0	112.2	V480 Q483 L484 A670 V671 D672 K678	V480-L674 WeakPolarHBondContact CG1-O 3.48Å; Q483-L674 HydrophobicContact CB-CD1 4.13Å; L484-L674 HydrophobicContact CD2-CB 3.95Å; L484-L674 HydrophobicContact CG-CB 4.11Å; A670-L674 WeakPolarHBondContact O-CG 3.29Å; A670-L674 PolarHBondContact O-N 2.79Å; V671-L674 WeakPolarHBondContact O-CB 3.4Å; V671-L674 PolarHBondContact O-N 2.87Å; D672-L674 VanDerWaalsContact C-N 3.28Å; D672-L674 PolarHBondContact O-N 2.96Å; L674-K678 WeakPolarHBondContact O-CB 3.37Å; L674-K678 PolarHBondContact O-N 3.09Å
675	K	74.1	Confident	75.9	Confident	90 Å²	90	80.5 Å²	80.5	39%	0.391	38%	0.384	S	S	.	.	H	α-helix	trans	-66.5	-45.6	172.9	-69.5	179	-161.7	145.3	0	112.2	L484 V671 D672 K677 K678 E679	L484-K675 HydrophobicContact CD2-CG 4.24Å; V671-K675 PolarHBondContact O-N 3.18Å; D672-K675 PolarHBondContact O-N 2.9Å; D672-K675 VanDerWaalsContact O-N 3.16Å; D672-K675 IonicContact OD1-NZ 3.99Å; D672-K675 PolarHBondContact OD1-NZ 2.84Å; K675-K677 VanDerWaalsContact C-N 3.3Å; K675-K677 PolarHBondContact O-N 3.4Å; K675-K678 WeakPolarHBondContact O-CB 3Å; K675-K678 PolarHBondContact O-N 3.23Å; K675-E679 PolarHBondContact O-N 3.04Å
676	E	78.9	Confident	76.5	Confident	118 Å²	118	84.7 Å²	84.7	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-60.5	-41.4	175.4	-75.4	-178.1	175.9	0	0	111.5	D672 E679 K680	D672-E676 PolarHBondContact O-N 2.77Å; E676-E679 PolarHBondContact O-N 3.41Å; E676-K680 WeakPolarHBondContact O-CG 3.48Å; E676-K680 PolarHBondContact O-N 3.08Å
677	K	81.8	Confident	77.3	Confident	105 Å²	105	90.1 Å²	90.1	46%	0.457	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.9	-166.6	176.4	-178.2	-172.3	0	111.6	V480 K673 K675 L681	V480-K677 HydrophobicContact CG2-CD 4.09Å; V480-K677 HydrophobicContact CG2-CG 4.41Å; K673-K677 WeakPolarHBondContact O-CB 3.44Å; K673-K677 PolarHBondContact O-N 3.2Å; K675-K677 VanDerWaalsContact C-N 3.3Å; K675-K677 PolarHBondContact O-N 3.4Å; K677-L681 HydrophobicContact CG-CD1 4.18Å; K677-L681 WeakPolarHBondContact O-CB 3.04Å; K677-L681 VanDerWaalsContact O-CG 3.32Å; K677-L681 WeakPolarHBondContact O-CG 3.31Å; K677-L681 PolarHBondContact O-N 3.17Å
678	K	83.7	Confident	78.2	Confident	76 Å²	76	89.4 Å²	89.4	33%	0.33	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-46	174.1	-178.4	-172.7	174.2	-178.6	0	111.5	V480 L484 L674 K675 L681 T682	V480-K678 HydrophobicContact CG1-CB 3.94Å; L484-K678 HydrophobicContact CD1-CB 4.48Å; L484-K678 HydrophobicContact CD1-CD 4.06Å; L674-K678 WeakPolarHBondContact O-CB 3.37Å; L674-K678 PolarHBondContact O-N 3.09Å; K675-K678 WeakPolarHBondContact O-CB 3Å; K675-K678 PolarHBondContact O-N 3.23Å; K678-L681 PolarHBondContact O-N 3.31Å; K678-T682 WeakPolarHBondContact O-CB 3.35Å; K678-T682 PolarHBondContact O-N 3.22Å; K678-T682 PolarHBondContact O-OG1 3.36Å
679	E	81.5	Confident	79.1	Confident	140 Å²	140	89 Å²	89	65%	0.654	42%	0.423	S	S	*	.	H	α-helix	trans	-63.6	-45.4	-177.2	-162	163.9	-157.7	0	0	111.2	K675 E676 T682 E683	K675-E679 PolarHBondContact O-N 3.04Å; E676-E679 PolarHBondContact O-N 3.41Å; E679-T682 WeakPolarHBondContact O-CB 3.45Å; E679-T682 PolarHBondContact O-N 3.3Å; E679-E683 PolarHBondContact O-N 3.42Å
680	K	85.8	Confident	80.2	Confident	145 Å²	145	89.3 Å²	89.3	63%	0.63	43%	0.425	S	S	*	.	H	α-helix	trans	-58.6	-48.5	173.6	-71.9	-180	-179.3	179.6	0	113	E676 T682 E683 E684	E676-K680 WeakPolarHBondContact O-CG 3.48Å; E676-K680 PolarHBondContact O-N 3.08Å; K680-T682 VanDerWaalsContact C-N 3.25Å; K680-T682 PolarHBondContact O-N 3.01Å; K680-E683 PolarHBondContact O-N 3.05Å; K680-E684 PolarHBondContact O-N 3.28Å
681	L	86.6	Confident	80.9	Confident	8 Å²	8	87.6 Å²	87.6	4%	0.042	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-33.5	177.6	-72.7	170.2	0	0	0	112.1	I473 E476 L477 V480 K677 K678 L685	I473-L681 HydrophobicContact CG1-CD2 4.44Å; I473-L681 HydrophobicContact CG2-CB 4.23Å; I473-L681 HydrophobicContact CG2-CD2 4.24Å; I473-L681 WeakPolarHBondContact CG2-O 3.5Å; E476-L681 HydrophobicContact CB-CD1 3.86Å; E476-L681 HydrophobicContact CB-CD2 4.26Å; E476-L681 WeakPolarHBondContact OE2-CD2 3.39Å; L477-L681 HydrophobicContact CD1-CB 4.01Å; V480-L681 HydrophobicContact CG2-CD1 4.3Å; K677-L681 HydrophobicContact CG-CD1 4.18Å; K677-L681 WeakPolarHBondContact O-CB 3.04Å; K677-L681 VanDerWaalsContact O-CG 3.32Å; K677-L681 WeakPolarHBondContact O-CG 3.31Å; K677-L681 PolarHBondContact O-N 3.17Å; K678-L681 PolarHBondContact O-N 3.31Å; L681-L685 VanDerWaalsContact O-CB 3.26Å; L681-L685 WeakPolarHBondContact O-CB 3.41Å; L681-L685 PolarHBondContact O-N 2.73Å
682	T	81.8	Confident	81.7	Confident	47 Å²	47	89.3 Å²	89.3	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-71.7	-34.2	177.5	-49.4	0	0	0	0	111.8	K678 E679 K680 K686	K678-T682 WeakPolarHBondContact O-CB 3.35Å; K678-T682 PolarHBondContact O-N 3.22Å; K678-T682 PolarHBondContact O-OG1 3.36Å; E679-T682 WeakPolarHBondContact O-CB 3.45Å; E679-T682 PolarHBondContact O-N 3.3Å; K680-T682 VanDerWaalsContact C-N 3.25Å; K680-T682 PolarHBondContact O-N 3.01Å; T682-K686 PolarHBondContact O-N 2.94Å
683	E	87.1	Confident	82.5	Confident	138 Å²	138	94.9 Å²	94.9	65%	0.645	43%	0.43	S	S	*	.	H	α-helix	trans	-72.4	-45	176.6	-163.8	157.4	-147.4	0	0	111.5	E679 K680 L685 K686 E687	E679-E683 PolarHBondContact O-N 3.42Å; K680-E683 PolarHBondContact O-N 3.05Å; E683-L685 VanDerWaalsContact C-N 3.3Å; E683-L685 PolarHBondContact O-N 3.36Å; E683-K686 WeakPolarHBondContact O-CB 3.33Å; E683-K686 PolarHBondContact O-N 3.17Å; E683-K686 VanDerWaalsContact O-N 3.11Å; E683-E687 PolarHBondContact O-N 3.11Å
684	E	87.7	Confident	83.2	Confident	61 Å²	61	90.8 Å²	90.8	29%	0.285	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-39.7	173.2	-162.5	-179.3	162.9	0	0	111.4	R469 I473 K680 K686 E687 Q688	R469-E684 IonicContact CZ-OE1 3.78Å; R469-E684 VanDerWaalsContact CZ-OE1 3.32Å; R469-E684 IonicContact NE-OE1 2.64Å; R469-E684 PolarHBondContact NE-OE1 3.32Å; R469-E684 IonicContact NH2-OE1 2.93Å; R469-E684 PolarHBondContact NH2-OE1 3.17Å; R469-E684 IonicContact NH2-OE2 3.96Å; I473-E684 HydrophobicContact CD1-CB 4.06Å; I473-E684 HydrophobicContact CD1-CG 3.72Å; K680-E684 PolarHBondContact O-N 3.28Å; E684-K686 VanDerWaalsContact C-N 3.34Å; E684-K686 PolarHBondContact O-N 2.96Å; E684-E687 PolarHBondContact O-N 3.2Å; E684-Q688 WeakPolarHBondContact O-CG 3.5Å; E684-Q688 PolarHBondContact O-N 3.5Å
685	L	86.6	Confident	83.6	Confident	35 Å²	35	91.4 Å²	91.4	18%	0.183	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-41.1	174.1	-174.2	66.1	0	0	0	112.3	I470 I473 L681 E683 E687 M689	I470-L685 HydrophobicContact CB-CD1 4.4Å; I470-L685 HydrophobicContact CG1-CD1 4.2Å; I470-L685 HydrophobicContact CG2-CD1 3.96Å; I473-L685 HydrophobicContact CG2-CB 3.97Å; I473-L685 HydrophobicContact CG2-CD1 4.13Å; L681-L685 VanDerWaalsContact O-CB 3.26Å; L681-L685 WeakPolarHBondContact O-CB 3.41Å; L681-L685 PolarHBondContact O-N 2.73Å; E683-L685 VanDerWaalsContact C-N 3.3Å; E683-L685 PolarHBondContact O-N 3.36Å; L685-E687 VanDerWaalsContact C-N 3.3Å; L685-E687 PolarHBondContact O-N 3.03Å; L685-M689 HydrophobicContact CG-CG 4.45Å; L685-M689 VanDerWaalsContact O-CB 3.27Å; L685-M689 WeakPolarHBondContact O-CB 3.37Å; L685-M689 WeakPolarHBondContact O-CG 3.39Å; L685-M689 PolarHBondContact O-N 2.98Å
686	K	84.6	Confident	84.1	Confident	146 Å²	146	90.4 Å²	90.4	64%	0.635	42%	0.423	S	S	*	.	H	α-helix	trans	-65	-36.1	177.5	-78.1	177	-177.7	171.5	0	111.8	T682 E683 E684 K690	T682-K686 PolarHBondContact O-N 2.94Å; E683-K686 WeakPolarHBondContact O-CB 3.33Å; E683-K686 PolarHBondContact O-N 3.17Å; E683-K686 VanDerWaalsContact O-N 3.11Å; E684-K686 VanDerWaalsContact C-N 3.34Å; E684-K686 PolarHBondContact O-N 2.96Å; K686-K690 PolarHBondContact O-N 2.84Å
687	E	85.8	Confident	84.4	Confident	132 Å²	132	89.9 Å²	89.9	62%	0.617	42%	0.421	S	S	*	.	H	α-helix	trans	-69.6	-48.3	178.6	-167.3	160.1	-153.6	0	0	111.3	E683 E684 L685 M689 K690 A691	E683-E687 PolarHBondContact O-N 3.11Å; E684-E687 PolarHBondContact O-N 3.2Å; L685-E687 VanDerWaalsContact C-N 3.3Å; L685-E687 PolarHBondContact O-N 3.03Å; E687-M689 VanDerWaalsContact C-N 3.29Å; E687-M689 PolarHBondContact O-N 3.47Å; E687-K690 WeakPolarHBondContact O-CB 3.4Å; E687-K690 PolarHBondContact O-N 3.46Å; E687-A691 PolarHBondContact O-N 3.1Å
688	Q	86.3	Confident	84.8	Confident	49 Å²	49	85.6 Å²	85.6	23%	0.229	40%	0.403	C	S	.	.	H	α-helix	trans	-63.9	-32.9	175.5	-63.3	-59.3	-30	0	0	112.6	R469 I470 I473 E684 K690 A691 K692	R469-Q688 HydrophobicContact CB-CG 4.39Å; R469-Q688 HydrophobicContact CG-CG 4.04Å; I470-Q688 HydrophobicContact CD1-CB 4.12Å; I470-Q688 HydrophobicContact CG1-CB 3.65Å; I473-Q688 HydrophobicContact CD1-CG 4.25Å; E684-Q688 WeakPolarHBondContact O-CG 3.5Å; E684-Q688 PolarHBondContact O-N 3.5Å; Q688-K690 VanDerWaalsContact C-N 3.25Å; Q688-K690 PolarHBondContact O-N 3.05Å; Q688-A691 PolarHBondContact O-N 2.68Å; Q688-K692 PolarHBondContact O-N 3.3Å
689	M	81.9	Confident	84.9	Confident	86 Å²	86	89.9 Å²	89.9	42%	0.424	42%	0.417	S	S	.	.	H	α-helix	trans	-65.7	-24.1	173	-76.7	-72.5	-75.2	0	0	113.3	I470 L685 E687 K692 R693	I470-M689 HydrophobicContact CD1-CG 4.31Å; I470-M689 HydrophobicContact CD1-SD 3.97Å; L685-M689 HydrophobicContact CG-CG 4.45Å; L685-M689 VanDerWaalsContact O-CB 3.27Å; L685-M689 WeakPolarHBondContact O-CB 3.37Å; L685-M689 WeakPolarHBondContact O-CG 3.39Å; L685-M689 PolarHBondContact O-N 2.98Å; E687-M689 VanDerWaalsContact C-N 3.29Å; E687-M689 PolarHBondContact O-N 3.47Å; M689-K692 HydrophobicContact SD-CD 4.18Å; M689-R693 WeakPolarHBondContact O-CG 3.42Å; M689-R693 PolarHBondContact O-N 2.99Å
690	K	84.1	Confident	85.2	Confident	143 Å²	143	88.8 Å²	88.8	62%	0.622	41%	0.412	S	S	*	.	H	α-helix	trans	-72.5	-42.9	170.9	-68.6	173.4	-177.6	173.1	0	111	K686 E687 Q688 K692 R693	K686-K690 PolarHBondContact O-N 2.84Å; E687-K690 WeakPolarHBondContact O-CB 3.4Å; E687-K690 PolarHBondContact O-N 3.46Å; Q688-K690 VanDerWaalsContact C-N 3.25Å; Q688-K690 PolarHBondContact O-N 3.05Å; K690-K692 VanDerWaalsContact C-N 3.33Å; K690-K692 PolarHBondContact O-N 3.42Å; K690-R693 WeakPolarHBondContact O-CB 3.39Å; K690-R693 PolarHBondContact O-N 3.27Å; K690-R693 VanDerWaalsContact O-N 3.14Å
691	A	80.4	Confident	85.4	Confident	19 Å²	19	82.6 Å²	82.6	16%	0.157	39%	0.386	C	S	.	.	H	α-helix	trans	-61.2	-41.8	174.8	0	0	0	0	0	111.4	A466 E687 Q688 R693 K694	A466-A691 HydrophobicContact CB-CB 3.8Å; E687-A691 PolarHBondContact O-N 3.1Å; Q688-A691 PolarHBondContact O-N 2.68Å; A691-R693 PolarHBondContact O-N 2.95Å; A691-K694 VanDerWaalsContact O-CB 3.31Å; A691-K694 WeakPolarHBondContact O-CB 3.33Å; A691-K694 PolarHBondContact O-N 2.92Å; A691-K694 VanDerWaalsContact O-N 3.08Å
692	K	82.7	Confident	85.5	Confident	73 Å²	73	85.7 Å²	85.7	32%	0.317	40%	0.4	S	S	.	.	H	α-helix	trans	-59.7	-27.2	174.2	-173.6	174.6	177.1	175.3	0	114	I470 Q688 M689 K690 K694 E695	I470-K692 HydrophobicContact CD1-CB 3.98Å; I470-K692 HydrophobicContact CD1-CD 3.72Å; I470-K692 HydrophobicContact CD1-CG 4.44Å; Q688-K692 PolarHBondContact O-N 3.3Å; M689-K692 HydrophobicContact SD-CD 4.18Å; K690-K692 VanDerWaalsContact C-N 3.33Å; K690-K692 PolarHBondContact O-N 3.42Å; K692-K694 PolarHBondContact O-N 2.95Å; K692-E695 WeakPolarHBondContact O-CB 3.43Å; K692-E695 PolarHBondContact O-N 3.33Å
693	R	83.6	Confident	85.8	Confident	194 Å²	194	87.6 Å²	87.6	73%	0.732	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.6	177.1	-72.1	170.9	-176.1	-168.5	-1.3	113	M689 K690 A691 E695 A696	M689-R693 WeakPolarHBondContact O-CG 3.42Å; M689-R693 PolarHBondContact O-N 2.99Å; K690-R693 WeakPolarHBondContact O-CB 3.39Å; K690-R693 PolarHBondContact O-N 3.27Å; K690-R693 VanDerWaalsContact O-N 3.14Å; A691-R693 PolarHBondContact O-N 2.95Å; R693-E695 PolarHBondContact O-N 3.3Å; R693-A696 PolarHBondContact O-N 3.41Å
694	K	86.4	Confident	85.9	Confident	66 Å²	66	85 Å²	85	29%	0.287	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-7.7	171.5	-64.3	178.7	167.5	179.4	0	113.2	L459 E462 V463 A691 K692 A696 E697 L698	L459-K694 HydrophobicContact CD2-CB 4.23Å; L459-K694 HydrophobicContact CD2-CD 4.06Å; E462-K694 IonicContact OE1-NZ 3.05Å; E462-K694 PolarHBondContact OE1-NZ 2.82Å; E462-K694 WeakPolarHBondContact OE2-CD 3.47Å; E462-K694 IonicContact OE2-NZ 3.95Å; E462-K694 PolarHBondContact OE2-NZ 2.81Å; V463-K694 HydrophobicContact CG2-CB 4.21Å; A691-K694 VanDerWaalsContact O-CB 3.31Å; A691-K694 WeakPolarHBondContact O-CB 3.33Å; A691-K694 PolarHBondContact O-N 2.92Å; A691-K694 VanDerWaalsContact O-N 3.08Å; K692-K694 PolarHBondContact O-N 2.95Å; K694-A696 PolarHBondContact O-N 3.33Å; K694-E697 WeakPolarHBondContact O-CB 3.36Å; K694-E697 PolarHBondContact O-N 2.92Å; K694-L698 PolarHBondContact O-N 2.96Å
695	E	85.1	Confident	86	Confident	48 Å²	48	82.2 Å²	82.2	22%	0.224	39%	0.391	C	S	.	.	H	α-helix	trans	-58.1	-29.6	172.6	-175.3	168.5	-164.2	0	0	112.8	V463 K467 K692 R693 R699	V463-E695 HydrophobicContact CG1-CB 4.14Å; V463-E695 HydrophobicContact CG1-CG 4.43Å; K467-E695 WeakPolarHBondContact CE-OE2 3.46Å; K467-E695 VanDerWaalsContact NZ-CD 3.32Å; K467-E695 IonicContact NZ-OE1 3.32Å; K467-E695 PolarHBondContact NZ-OE1 3.08Å; K467-E695 IonicContact NZ-OE2 3.16Å; K692-E695 WeakPolarHBondContact O-CB 3.43Å; K692-E695 PolarHBondContact O-N 3.33Å; R693-E695 PolarHBondContact O-N 3.3Å; E695-R699 WeakPolarHBondContact O-CG 3.48Å; E695-R699 PolarHBondContact O-N 3.27Å; E695-R699 VanDerWaalsContact O-N 3.12Å
696	A	84	Confident	86	Confident	70 Å²	70	85.6 Å²	85.6	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-70.2	-40.9	173	0	0	0	0	0	112.3	R693 K694 R699 Q700	R693-A696 PolarHBondContact O-N 3.41Å; K694-A696 PolarHBondContact O-N 3.33Å; A696-R699 PolarHBondContact O-N 2.61Å; A696-Q700 PolarHBondContact O-N 3.29Å; A696-Q700 VanDerWaalsContact O-N 3.15Å
697	E	86.1	Confident	86.2	Confident	107 Å²	107	80 Å²	80	50%	0.5	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-42.3	175.1	-66.3	174.9	-176.3	0	0	110.6	K694 R699 Q700 V701	K694-E697 WeakPolarHBondContact O-CB 3.36Å; K694-E697 PolarHBondContact O-N 2.92Å; E697-R699 PolarHBondContact O-N 3.44Å; E697-Q700 WeakPolarHBondContact O-CB 3.3Å; E697-Q700 PolarHBondContact O-N 2.83Å; E697-Q700 VanDerWaalsContact O-N 3.12Å; E697-V701 WeakPolarHBondContact O-CG2 3.45Å; E697-V701 PolarHBondContact O-N 3.23Å
698	L	90	Very high	86.3	Confident	14 Å²	14	75 Å²	75	7%	0.073	37%	0.367	C	S	.	.	H	α-helix	trans	-56.6	-48.3	174.1	176.1	59.9	0	0	0	111.8	E456 L459 T460 V463 K694 Q700 V701 Q702	E456-L698 HydrophobicContact CG-CD1 3.99Å; L459-L698 HydrophobicContact CB-CB 4.33Å; L459-L698 HydrophobicContact CB-CD1 3.95Å; T460-L698 VanDerWaalsContact OG1-CD1 3.25Å; T460-L698 WeakPolarHBondContact OG1-CD1 3.33Å; V463-L698 HydrophobicContact CB-CD2 4.43Å; V463-L698 HydrophobicContact CG2-CD2 4.49Å; K694-L698 PolarHBondContact O-N 2.96Å; L698-Q700 VanDerWaalsContact C-N 3.26Å; L698-Q700 PolarHBondContact O-N 2.94Å; L698-V701 PolarHBondContact O-N 3.08Å; L698-Q702 HydrophobicContact CD1-CG 4.16Å; L698-Q702 HydrophobicContact CG-CG 4.5Å; L698-Q702 WeakPolarHBondContact O-CB 3.2Å; L698-Q702 VanDerWaalsContact O-CG 3.27Å; L698-Q702 WeakPolarHBondContact O-CG 3.48Å; L698-Q702 PolarHBondContact O-N 2.78Å
699	R	85.7	Confident	86.5	Confident	167 Å²	167	77 Å²	77	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-61.3	-35.2	177	-75.5	-177.1	-174	-165.2	2.5	112.6	E695 A696 E697 S703	E695-R699 WeakPolarHBondContact O-CG 3.48Å; E695-R699 PolarHBondContact O-N 3.27Å; E695-R699 VanDerWaalsContact O-N 3.12Å; A696-R699 PolarHBondContact O-N 2.61Å; E697-R699 PolarHBondContact O-N 3.44Å; R699-S703 PolarHBondContact O-N 3Å; R699-S703 VanDerWaalsContact O-N 3.09Å
700	Q	88.1	Confident	86.7	Confident	116 Å²	116	76.7 Å²	76.7	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-68.3	-47.3	176.7	-177.4	177.9	-9.4	0	0	111.3	A696 E697 L698 S703 Q704	A696-Q700 PolarHBondContact O-N 3.29Å; A696-Q700 VanDerWaalsContact O-N 3.15Å; E697-Q700 WeakPolarHBondContact O-CB 3.3Å; E697-Q700 PolarHBondContact O-N 2.83Å; E697-Q700 VanDerWaalsContact O-N 3.12Å; L698-Q700 VanDerWaalsContact C-N 3.26Å; L698-Q700 PolarHBondContact O-N 2.94Å; Q700-S703 PolarHBondContact O-N 2.91Å; Q700-Q704 WeakPolarHBondContact O-CG 3.26Å; Q700-Q704 PolarHBondContact O-N 3.38Å
701	V	89.6	Confident	86.9	Confident	15 Å²	15	76 Å²	76	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-43.6	176.9	172.6	0	0	0	0	110.6	Q452 M455 E456 L459 E697 L698 S703 Q704 A705	Q452-V701 WeakPolarHBondContact O-CG1 3.46Å; M455-V701 HydrophobicContact CB-CG1 4.23Å; E456-V701 HydrophobicContact CB-CG1 3.98Å; L459-V701 HydrophobicContact CD1-CG2 4.14Å; E697-V701 WeakPolarHBondContact O-CG2 3.45Å; E697-V701 PolarHBondContact O-N 3.23Å; L698-V701 PolarHBondContact O-N 3.08Å; V701-S703 PolarHBondContact O-N 3.45Å; V701-Q704 PolarHBondContact O-N 3.45Å; V701-Q704 VanDerWaalsContact O-N 3.11Å; V701-A705 WeakPolarHBondContact O-CB 3.22Å; V701-A705 PolarHBondContact O-N 3.38Å
702	Q	87.9	Confident	87.4	Confident	74 Å²	74	75.8 Å²	75.8	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-56.5	-46.2	174	-78.4	-179.1	-25.1	0	0	112.6	E456 L698 Q704 H706	E456-Q702 HydrophobicContact CG-CG 3.72Å; E456-Q702 WeakPolarHBondContact OE1-CG 3.41Å; E456-Q702 PolarHBondContact OE1-NE2 3.17Å; L698-Q702 HydrophobicContact CD1-CG 4.16Å; L698-Q702 HydrophobicContact CG-CG 4.5Å; L698-Q702 WeakPolarHBondContact O-CB 3.2Å; L698-Q702 VanDerWaalsContact O-CG 3.27Å; L698-Q702 WeakPolarHBondContact O-CG 3.48Å; L698-Q702 PolarHBondContact O-N 2.78Å; Q702-Q704 VanDerWaalsContact C-N 3.32Å; Q702-Q704 PolarHBondContact O-N 3.44Å; Q702-H706 VanDerWaalsContact O-CB 3.29Å; Q702-H706 WeakPolarHBondContact O-CB 3.2Å; Q702-H706 PolarHBondContact O-N 3.5Å
703	S	88.8	Confident	87.8	Confident	86 Å²	86	79.2 Å²	79.2	60%	0.601	38%	0.379	S	S	*	.	H	α-helix	trans	-64.5	-37.6	176.9	-176.9	0	0	0	0	112.2	R699 Q700 V701 G707	R699-S703 PolarHBondContact O-N 3Å; R699-S703 VanDerWaalsContact O-N 3.09Å; Q700-S703 PolarHBondContact O-N 2.91Å; V701-S703 PolarHBondContact O-N 3.45Å; S703-G707 PolarHBondContact O-N 2.9Å
704	Q	88.2	Confident	87.9	Confident	84 Å²	84	78.4 Å²	78.4	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-70.4	-44.8	178.9	-72.6	178.9	-7.4	0	0	111.7	Q700 V701 Q702 G707 L708	Q700-Q704 WeakPolarHBondContact O-CG 3.26Å; Q700-Q704 PolarHBondContact O-N 3.38Å; V701-Q704 PolarHBondContact O-N 3.45Å; V701-Q704 VanDerWaalsContact O-N 3.11Å; Q702-Q704 VanDerWaalsContact C-N 3.32Å; Q702-Q704 PolarHBondContact O-N 3.44Å; Q704-G707 PolarHBondContact O-N 3.42Å; Q704-L708 WeakPolarHBondContact O-CB 3.39Å; Q704-L708 WeakPolarHBondContact O-CG 3.29Å; Q704-L708 PolarHBondContact O-N 3.01Å
705	A	89.5	Confident	88	Confident	3 Å²	3	76.2 Å²	76.2	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-59.8	-47.2	174.5	0	0	0	0	0	111	L449 Q452 V701 G707 L708 Q709	L449-A705 HydrophobicContact CD1-CB 4.24Å; L449-A705 WeakPolarHBondContact CD1-O 3.36Å; Q452-A705 HydrophobicContact CB-CB 4.2Å; V701-A705 WeakPolarHBondContact O-CB 3.22Å; V701-A705 PolarHBondContact O-N 3.38Å; A705-G707 PolarHBondContact O-N 3.23Å; A705-L708 PolarHBondContact O-N 3.43Å; A705-Q709 WeakPolarHBondContact O-CB 3.34Å; A705-Q709 PolarHBondContact O-N 2.87Å
706	H	87.9	Confident	88.3	Confident	106 Å²	106	77.4 Å²	77.4	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-43.8	177	-169.8	75.4	0	0	0	112.4	Q702 L708 Q709 M710	Q702-H706 VanDerWaalsContact O-CB 3.29Å; Q702-H706 WeakPolarHBondContact O-CB 3.2Å; Q702-H706 PolarHBondContact O-N 3.5Å; H706-L708 PolarHBondContact O-N 2.99Å; H706-Q709 PolarHBondContact O-N 2.98Å; H706-M710 WeakPolarHBondContact CE1-CE 3.33Å; H706-M710 WeakPolarHBondContact NE2-CE 3.35Å; H706-M710 WeakPolarHBondContact O-CG 3.39Å; H706-M710 PolarHBondContact O-N 2.9Å
707	G	87.8	Confident	88.5	Confident	28 Å²	28	77.2 Å²	77.2	29%	0.289	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-37	176.7	0	0	0	0	0	113.6	S703 Q704 A705 R711	S703-G707 PolarHBondContact O-N 2.9Å; Q704-G707 PolarHBondContact O-N 3.42Å; A705-G707 PolarHBondContact O-N 3.23Å; G707-R711 WeakPolarHBondContact O-CG 3.19Å; G707-R711 PolarHBondContact O-N 2.88Å; G707-R711 PolarHBondContact O-NE 3.45Å
708	L	87.5	Confident	88.6	Confident	28 Å²	28	74.5 Å²	74.5	15%	0.147	36%	0.359	C	S	.	.	H	α-helix	trans	-67.5	-43.1	172.4	-78.7	167.2	0	0	0	111.5	L449 Q452 Q704 A705 H706 M710 R711 L712	L449-L708 HydrophobicContact CB-CB 4.5Å; L449-L708 HydrophobicContact CD1-CB 4Å; Q452-L708 HydrophobicContact CG-CD1 4.09Å; Q704-L708 WeakPolarHBondContact O-CB 3.39Å; Q704-L708 WeakPolarHBondContact O-CG 3.29Å; Q704-L708 PolarHBondContact O-N 3.01Å; A705-L708 PolarHBondContact O-N 3.43Å; H706-L708 PolarHBondContact O-N 2.99Å; L708-M710 PolarHBondContact O-N 3.22Å; L708-R711 VanDerWaalsContact CD2-NH2 3.3Å; L708-R711 PolarHBondContact O-N 2.8Å; L708-L712 WeakPolarHBondContact O-CB 3.16Å; L708-L712 PolarHBondContact O-N 2.85Å
709	Q	90.4	Very high	88.7	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-43.5	178.7	-172.2	175.8	0.5	0	0	112.2	L449 A705 H706 L712 K713	L449-Q709 HydrophobicContact CD1-CB 4.12Å; L449-Q709 HydrophobicContact CD2-CB 4.09Å; L449-Q709 HydrophobicContact CD2-CG 4.33Å; A705-Q709 WeakPolarHBondContact O-CB 3.34Å; A705-Q709 PolarHBondContact O-N 2.87Å; H706-Q709 PolarHBondContact O-N 2.98Å; Q709-L712 PolarHBondContact O-N 2.81Å; Q709-K713 PolarHBondContact O-N 2.86Å
710	M	86.8	Confident	88.8	Confident	79 Å²	79	73.2 Å²	73.2	39%	0.389	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-45.7	176.1	-70.7	-62.7	178.4	0	0	111.8	H706 L708 L712 K713 Y714	H706-M710 WeakPolarHBondContact CE1-CE 3.33Å; H706-M710 WeakPolarHBondContact NE2-CE 3.35Å; H706-M710 WeakPolarHBondContact O-CG 3.39Å; H706-M710 PolarHBondContact O-N 2.9Å; L708-M710 PolarHBondContact O-N 3.22Å; M710-L712 VanDerWaalsContact C-N 3.33Å; M710-L712 PolarHBondContact O-N 3.22Å; M710-K713 WeakPolarHBondContact O-CB 3.42Å; M710-K713 PolarHBondContact O-N 3.27Å; M710-Y714 WeakPolarHBondContact O-CD2 3.3Å; M710-Y714 PolarHBondContact O-N 3.06Å; M710-Y714 VanDerWaalsContact O-N 3.08Å
711	R	88.8	Confident	88.7	Confident	129 Å²	129	71.8 Å²	71.8	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-59.7	-43.2	176	-76.9	-177.6	-72.5	-170.4	1	112.2	G707 L708 K713 Y714 S715	G707-R711 WeakPolarHBondContact O-CG 3.19Å; G707-R711 PolarHBondContact O-N 2.88Å; G707-R711 PolarHBondContact O-NE 3.45Å; L708-R711 VanDerWaalsContact CD2-NH2 3.3Å; L708-R711 PolarHBondContact O-N 2.8Å; R711-K713 VanDerWaalsContact C-N 3.34Å; R711-K713 PolarHBondContact O-N 2.94Å; R711-Y714 PolarHBondContact O-N 2.83Å; R711-S715 PolarHBondContact O-N 2.93Å; R711-S715 PolarHBondContact O-OG 3.46Å
712	L	90.9	Very high	88.5	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-40.8	179.2	-162.1	135.6	0	0	0	111.6	R446 L708 Q709 M710 S715 Q716	R446-L712 VanDerWaalsContact CA-CD1 3.44Å; R446-L712 HydrophobicContact CB-CD1 3.78Å; R446-L712 HydrophobicContact CG-CD1 4.16Å; R446-L712 VanDerWaalsContact N-CD1 3.32Å; L708-L712 WeakPolarHBondContact O-CB 3.16Å; L708-L712 PolarHBondContact O-N 2.85Å; Q709-L712 PolarHBondContact O-N 2.81Å; M710-L712 VanDerWaalsContact C-N 3.33Å; M710-L712 PolarHBondContact O-N 3.22Å; L712-S715 PolarHBondContact O-N 2.88Å; L712-Q716 HydrophobicContact CD2-CG 4.24Å; L712-Q716 VanDerWaalsContact CD2-NE2 3.31Å; L712-Q716 WeakPolarHBondContact O-CB 3.44Å; L712-Q716 VanDerWaalsContact O-CG 3.26Å; L712-Q716 WeakPolarHBondContact O-CG 3.13Å; L712-Q716 PolarHBondContact O-N 2.94Å
713	K	90.4	Very high	88.4	Confident	146 Å²	146	72.9 Å²	72.9	64%	0.635	36%	0.356	S	S	*	.	H	α-helix	trans	-60.5	-44.1	173.7	-173	-179	180	-177.7	0	112.1	Q709 M710 R711 S717	Q709-K713 PolarHBondContact O-N 2.86Å; M710-K713 WeakPolarHBondContact O-CB 3.42Å; M710-K713 PolarHBondContact O-N 3.27Å; R711-K713 VanDerWaalsContact C-N 3.34Å; R711-K713 PolarHBondContact O-N 2.94Å; K713-S717 PolarHBondContact O-N 3.35Å
714	Y	86.8	Confident	88	Confident	176 Å²	176	72.9 Å²	72.9	69%	0.69	35%	0.353	S	S	*	.	H	α-helix	trans	-64.9	-46.2	176.5	-74.2	-64.7	0	0	0	112.2	M710 R711 Q716 S717 D718	M710-Y714 WeakPolarHBondContact O-CD2 3.3Å; M710-Y714 PolarHBondContact O-N 3.06Å; M710-Y714 VanDerWaalsContact O-N 3.08Å; R711-Y714 PolarHBondContact O-N 2.83Å; Y714-Q716 VanDerWaalsContact C-N 3.34Å; Y714-Q716 PolarHBondContact O-N 3.27Å; Y714-S717 PolarHBondContact O-N 2.93Å; Y714-D718 PolarHBondContact O-N 2.85Å
715	S	88.5	Confident	87.7	Confident	20 Å²	20	75.2 Å²	75.2	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-37.7	178.2	-62.8	0	0	0	0	112.5	Y441 R711 L712 D718 L719	Y441-S715 WeakPolarHBondContact CE1-OG 3.5Å; R711-S715 PolarHBondContact O-N 2.93Å; R711-S715 PolarHBondContact O-OG 3.46Å; L712-S715 PolarHBondContact O-N 2.88Å; S715-D718 PolarHBondContact O-N 2.89Å; S715-L719 WeakPolarHBondContact O-CB 3.35Å; S715-L719 PolarHBondContact O-N 3.45Å
716	Q	89.8	Confident	87.3	Confident	73 Å²	73	79 Å²	79	34%	0.341	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-43.6	173.3	-77.5	176.7	-22.8	0	0	112	I442 L712 Y714 D718 L719 E720	I442-Q716 HydrophobicContact CD1-CG 4.02Å; I442-Q716 HydrophobicContact CG1-CG 4.36Å; I442-Q716 HydrophobicContact CG2-CG 4.16Å; L712-Q716 HydrophobicContact CD2-CG 4.24Å; L712-Q716 VanDerWaalsContact CD2-NE2 3.31Å; L712-Q716 WeakPolarHBondContact O-CB 3.44Å; L712-Q716 VanDerWaalsContact O-CG 3.26Å; L712-Q716 WeakPolarHBondContact O-CG 3.13Å; L712-Q716 PolarHBondContact O-N 2.94Å; Y714-Q716 VanDerWaalsContact C-N 3.34Å; Y714-Q716 PolarHBondContact O-N 3.27Å; Q716-D718 VanDerWaalsContact C-N 3.35Å; Q716-D718 PolarHBondContact O-N 3.46Å; Q716-L719 PolarHBondContact O-N 3.49Å; Q716-E720 WeakPolarHBondContact O-CB 3.41Å; Q716-E720 PolarHBondContact O-N 3.07Å
717	S	89.8	Confident	87.3	Confident	66 Å²	66	75 Å²	75	46%	0.462	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-39.4	175.1	-172.6	0	0	0	0	112.2	K713 Y714 E720 Q721	K713-S717 PolarHBondContact O-N 3.35Å; Y714-S717 PolarHBondContact O-N 2.93Å; S717-E720 PolarHBondContact O-N 2.87Å; S717-Q721 VanDerWaalsContact O-CB 3.29Å; S717-Q721 WeakPolarHBondContact O-CB 3.27Å; S717-Q721 PolarHBondContact O-N 2.9Å
718	D	87.9	Confident	87.2	Confident	51 Å²	51	76.4 Å²	76.4	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-68.3	-40.2	177.4	-170	35.8	0	0	0	111.7	R434 Y714 S715 Q716 Q721 T722	R434-D718 IonicContact CZ-OD2 2.74Å; R434-D718 IonicContact NE-OD2 2.79Å; R434-D718 IonicContact NH2-OD1 3.32Å; R434-D718 PolarHBondContact NH2-OD1 2.94Å; R434-D718 IonicContact NH2-OD2 3.68Å; R434-D718 PolarHBondContact NH2-OD2 3.34Å; Y714-D718 PolarHBondContact O-N 2.85Å; S715-D718 PolarHBondContact O-N 2.89Å; Q716-D718 VanDerWaalsContact C-N 3.35Å; Q716-D718 PolarHBondContact O-N 3.46Å; D718-Q721 PolarHBondContact O-N 3.1Å; D718-T722 VanDerWaalsContact O-CB 3.31Å; D718-T722 WeakPolarHBondContact O-CB 3.41Å; D718-T722 PolarHBondContact O-N 2.83Å; D718-T722 PolarHBondContact O-OG1 3.02Å
719	L	90.9	Very high	87.1	Confident	26 Å²	26	78.8 Å²	78.8	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-49.5	173.3	175	64.8	0	0	0	111	I435 L438 E439 I442 S715 Q716 Q721 T722 K723	I435-L719 HydrophobicContact CB-CD1 4.15Å; I435-L719 HydrophobicContact CG1-CD1 4.1Å; I435-L719 HydrophobicContact CG2-CD1 3.84Å; L438-L719 HydrophobicContact CB-CB 4.37Å; L438-L719 HydrophobicContact CB-CD1 4.12Å; L438-L719 HydrophobicContact CD1-CB 4.43Å; E439-L719 HydrophobicContact CG-CD1 3.83Å; E439-L719 HydrophobicContact CG-CD2 3.64Å; E439-L719 HydrophobicContact CG-CG 4.42Å; I442-L719 HydrophobicContact CD1-CB 3.96Å; I442-L719 HydrophobicContact CD1-CD2 3.64Å; I442-L719 HydrophobicContact CD1-CG 4.41Å; S715-L719 WeakPolarHBondContact O-CB 3.35Å; S715-L719 PolarHBondContact O-N 3.45Å; Q716-L719 PolarHBondContact O-N 3.49Å; L719-Q721 PolarHBondContact O-N 3.09Å; L719-T722 PolarHBondContact O-N 3.23Å; L719-K723 VanDerWaalsContact O-CB 3.27Å; L719-K723 WeakPolarHBondContact O-CB 3.35Å; L719-K723 PolarHBondContact O-N 3.12Å
720	E	88.2	Confident	87	Confident	128 Å²	128	75.2 Å²	75.2	60%	0.598	36%	0.359	S	S	*	.	H	α-helix	trans	-61.8	-44.7	179.9	-167.6	178.2	-173	0	0	110.8	Q716 S717 K723 T724	Q716-E720 WeakPolarHBondContact O-CB 3.41Å; Q716-E720 PolarHBondContact O-N 3.07Å; S717-E720 PolarHBondContact O-N 2.87Å; E720-K723 PolarHBondContact O-N 3.13Å; E720-T724 HydrophobicContact CG-CG2 4.28Å; E720-T724 WeakPolarHBondContact O-CB 3.44Å; E720-T724 PolarHBondContact O-N 3.15Å; E720-T724 PolarHBondContact O-OG1 3.09Å
721	Q	87.3	Confident	87	Confident	85 Å²	85	75.7 Å²	75.7	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-43	176.6	-175.1	174.7	-10.5	0	0	112.2	S717 D718 L719 R725 H726	S717-Q721 VanDerWaalsContact O-CB 3.29Å; S717-Q721 WeakPolarHBondContact O-CB 3.27Å; S717-Q721 PolarHBondContact O-N 2.9Å; D718-Q721 PolarHBondContact O-N 3.1Å; L719-Q721 PolarHBondContact O-N 3.09Å; Q721-R725 WeakPolarHBondContact O-CA 3.19Å; Q721-R725 WeakPolarHBondContact O-CB 3.28Å; Q721-R725 PolarHBondContact O-N 3.12Å; Q721-H726 PolarHBondContact O-N 3.44Å
722	T	84.4	Confident	86.9	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.018	36%	0.364	C	S	.	.	I	π-helix	trans	-64	-43.5	177.8	-56.4	0	0	0	0	111.1	N431 I435 D718 L719 H726 L727	N431-T722 HydrophobicContact CB-CG2 4.44Å; I435-T722 HydrophobicContact CD1-CG2 4.26Å; I435-T722 HydrophobicContact CG1-CG2 3.89Å; D718-T722 VanDerWaalsContact O-CB 3.31Å; D718-T722 WeakPolarHBondContact O-CB 3.41Å; D718-T722 PolarHBondContact O-N 2.83Å; D718-T722 PolarHBondContact O-OG1 3.02Å; L719-T722 PolarHBondContact O-N 3.23Å; T722-H726 PolarHBondContact O-N 3.43Å; T722-L727 PolarHBondContact O-N 3.32Å
723	K	85.6	Confident	86.7	Confident	109 Å²	109	77.8 Å²	77.8	47%	0.474	38%	0.376	S	S	.	.	I	π-helix	trans	-72.9	-47.7	-178.4	-167.3	170.9	-171.7	164	0	112.9	I435 E439 L719 E720	I435-K723 HydrophobicContact CD1-CB 4.08Å; I435-K723 HydrophobicContact CD1-CG 4.31Å; E439-K723 IonicContact OE1-NZ 3.98Å; L719-K723 VanDerWaalsContact O-CB 3.27Å; L719-K723 WeakPolarHBondContact O-CB 3.35Å; L719-K723 PolarHBondContact O-N 3.12Å; E720-K723 PolarHBondContact O-N 3.13Å
724	T	81.1	Confident	86.8	Confident	86 Å²	86	73.5 Å²	73.5	53%	0.528	36%	0.358	S	S	.	.	I	π-helix	trans	-85.1	-30.7	-174	55.7	0	0	0	0	113.8	E720 S728	E720-T724 HydrophobicContact CG-CG2 4.28Å; E720-T724 WeakPolarHBondContact O-CB 3.44Å; E720-T724 PolarHBondContact O-N 3.15Å; E720-T724 PolarHBondContact O-OG1 3.09Å; T724-S728 WeakPolarHBondContact O-CB 3.41Å; T724-S728 PolarHBondContact O-OG 3.2Å
725	R	81.1	Confident	86.9	Confident	133 Å²	133	68.6 Å²	68.6	50%	0.502	35%	0.349	S	S	.	.	I	π-helix	trans	-106.8	-47.1	-173.1	-165.4	174.4	-179.2	167.3	-2.2	113.3	Q721 L729	Q721-R725 WeakPolarHBondContact O-CA 3.19Å; Q721-R725 WeakPolarHBondContact O-CB 3.28Å; Q721-R725 PolarHBondContact O-N 3.12Å; R725-L729 WeakPolarHBondContact O-CB 3.45Å
726	H	81.9	Confident	87	Confident	83 Å²	83	73.8 Å²	73.8	38%	0.384	37%	0.369	S	S	.	.	I	π-helix	trans	-82.4	-47.8	-175.1	-67.2	-73.7	0	0	0	112.1	Q721 T722 N730	Q721-H726 PolarHBondContact O-N 3.44Å; T722-H726 PolarHBondContact O-N 3.43Å; H726-N730 WeakPolarHBondContact O-CB 3.35Å; H726-N730 VanDerWaalsContact O-CG 3.29Å; H726-N730 PolarHBondContact O-N 3.12Å; H726-N730 VanDerWaalsContact O-N 3.13Å
727	L	87.1	Confident	86.9	Confident	22 Å²	22	71.8 Å²	71.8	12%	0.115	36%	0.36	C	S	.	.	I	π-helix	trans	-67.4	-45.9	-179.9	-173.2	67.2	0	0	0	112.3	I428 N431 Q432 I435 T722 L729 N730 M731	I428-L727 HydrophobicContact CB-CD1 4.44Å; I428-L727 HydrophobicContact CG2-CD1 3.86Å; N431-L727 HydrophobicContact CB-CD1 4.33Å; Q432-L727 HydrophobicContact CG-CD1 4.02Å; I435-L727 HydrophobicContact CD1-CD2 3.91Å; T722-L727 PolarHBondContact O-N 3.32Å; L727-L729 PolarHBondContact O-N 3.18Å; L727-N730 PolarHBondContact O-N 2.8Å; L727-M731 HydrophobicContact CD1-CE 4.06Å; L727-M731 HydrophobicContact CD2-CE 4.34Å; L727-M731 HydrophobicContact CG-CE 4.09Å; L727-M731 HydrophobicContact CG-SD 4.35Å; L727-M731 WeakPolarHBondContact O-CB 3.48Å; L727-M731 WeakPolarHBondContact O-CG 3.39Å; L727-M731 PolarHBondContact O-N 2.86Å
728	S	86.1	Confident	86.9	Confident	58 Å²	58	72.7 Å²	72.7	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-41.5	-179.1	75.8	0	0	0	0	112.5	T724 M731 Q732	T724-S728 WeakPolarHBondContact O-CB 3.41Å; T724-S728 PolarHBondContact O-OG 3.2Å; S728-M731 PolarHBondContact O-N 3.42Å; S728-Q732 WeakPolarHBondContact O-CB 3.36Å; S728-Q732 PolarHBondContact O-N 3.33Å
729	L	85.6	Confident	86.9	Confident	77 Å²	77	73.8 Å²	73.8	40%	0.403	37%	0.369	S	S	.	.	H	α-helix	trans	-71.2	-41.3	-177.6	-161.4	151.4	0	0	0	110.5	R725 L727 M731 Q732 E733	R725-L729 WeakPolarHBondContact O-CB 3.45Å; L727-L729 PolarHBondContact O-N 3.18Å; L729-M731 PolarHBondContact O-N 3.02Å; L729-Q732 PolarHBondContact O-N 3.48Å; L729-E733 HydrophobicContact CD2-CG 4.16Å; L729-E733 VanDerWaalsContact CD2-OE1 3.24Å; L729-E733 WeakPolarHBondContact CD2-OE1 3.15Å; L729-E733 WeakPolarHBondContact O-CB 3.5Å; L729-E733 WeakPolarHBondContact O-CG 3.38Å; L729-E733 PolarHBondContact O-N 3.08Å
730	N	87.8	Confident	86.7	Confident	17 Å²	17	77.2 Å²	77.2	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-38.8	173.2	-73.6	2	0	0	0	112.3	I428 N431 H726 L727 K734	I428-N730 HydrophobicContact CD1-CB 4.34Å; I428-N730 HydrophobicContact CG1-CB 3.76Å; N431-N730 PolarHBondContact ND2-ND2 2.88Å; H726-N730 WeakPolarHBondContact O-CB 3.35Å; H726-N730 VanDerWaalsContact O-CG 3.29Å; H726-N730 PolarHBondContact O-N 3.12Å; H726-N730 VanDerWaalsContact O-N 3.13Å; L727-N730 PolarHBondContact O-N 2.8Å; N730-K734 WeakPolarHBondContact O-CB 3.36Å; N730-K734 PolarHBondContact O-N 3.08Å
731	M	86.9	Confident	86.8	Confident	88 Å²	88	73.2 Å²	73.2	43%	0.433	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-41	173.9	-77.6	-176.9	171.7	0	0	112.1	I428 L727 S728 L729 K734 S735	I428-M731 HydrophobicContact CD1-CG 4Å; I428-M731 HydrophobicContact CG1-CG 4.46Å; I428-M731 HydrophobicContact CG2-CE 4.3Å; L727-M731 HydrophobicContact CD1-CE 4.06Å; L727-M731 HydrophobicContact CD2-CE 4.34Å; L727-M731 HydrophobicContact CG-CE 4.09Å; L727-M731 HydrophobicContact CG-SD 4.35Å; L727-M731 WeakPolarHBondContact O-CB 3.48Å; L727-M731 WeakPolarHBondContact O-CG 3.39Å; L727-M731 PolarHBondContact O-N 2.86Å; S728-M731 PolarHBondContact O-N 3.42Å; L729-M731 PolarHBondContact O-N 3.02Å; M731-K734 PolarHBondContact O-N 3.03Å; M731-S735 PolarHBondContact O-N 3.27Å
732	Q	87.8	Confident	86.8	Confident	117 Å²	117	72.4 Å²	72.4	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-68.1	-41.9	177.8	-167.6	-177.4	16.5	0	0	112	S728 L729 S735 K736	S728-Q732 WeakPolarHBondContact O-CB 3.36Å; S728-Q732 PolarHBondContact O-N 3.33Å; L729-Q732 PolarHBondContact O-N 3.48Å; Q732-S735 PolarHBondContact O-N 3.45Å; Q732-K736 WeakPolarHBondContact O-CG 3.2Å; Q732-K736 PolarHBondContact O-N 3.2Å; Q732-K736 VanDerWaalsContact O-N 3.07Å
733	E	86.4	Confident	86.9	Confident	70 Å²	70	76.3 Å²	76.3	33%	0.327	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-43.8	174.6	-76.2	-178.8	173.2	0	0	111.8	K424 L729 S735 K736 L737	K424-E733 HydrophobicContact CD-CB 4.47Å; K424-E733 VanDerWaalsContact CE-OE2 3.22Å; K424-E733 WeakPolarHBondContact CE-OE2 3.44Å; K424-E733 IonicContact NZ-OE2 3.69Å; K424-E733 PolarHBondContact NZ-OE2 3.12Å; L729-E733 HydrophobicContact CD2-CG 4.16Å; L729-E733 VanDerWaalsContact CD2-OE1 3.24Å; L729-E733 WeakPolarHBondContact CD2-OE1 3.15Å; L729-E733 WeakPolarHBondContact O-CB 3.5Å; L729-E733 WeakPolarHBondContact O-CG 3.38Å; L729-E733 PolarHBondContact O-N 3.08Å; E733-S735 VanDerWaalsContact C-N 3.34Å; E733-S735 PolarHBondContact O-N 3.49Å; E733-K736 PolarHBondContact O-N 3.03Å; E733-L737 WeakPolarHBondContact O-CG 3.41Å; E733-L737 PolarHBondContact O-N 3.44Å
734	K	91.7	Very high	87.1	Confident	56 Å²	56	71.5 Å²	71.5	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-55.7	-49.3	173.9	179.5	-170.4	162.2	-173.6	0	110.9	I421 K424 I425 I428 N730 M731 K736 L737 E738	I421-K734 HydrophobicContact CG2-CG 4.49Å; K424-K734 HydrophobicContact CB-CB 4.4Å; I425-K734 HydrophobicContact CG1-CD 3.93Å; I428-K734 HydrophobicContact CD1-CB 4.35Å; I428-K734 HydrophobicContact CD1-CD 4.02Å; N730-K734 WeakPolarHBondContact O-CB 3.36Å; N730-K734 PolarHBondContact O-N 3.08Å; M731-K734 PolarHBondContact O-N 3.03Å; K734-K736 VanDerWaalsContact C-N 3.33Å; K734-K736 PolarHBondContact O-N 2.67Å; K734-L737 PolarHBondContact O-N 2.78Å; K734-E738 VanDerWaalsContact CE-CD 3.48Å; K734-E738 WeakPolarHBondContact CE-OE1 3.37Å; K734-E738 HydrophobicContact CG-CG 4.46Å; K734-E738 IonicContact NZ-OE1 3.54Å; K734-E738 WeakPolarHBondContact O-CG 3.38Å; K734-E738 PolarHBondContact O-N 3.35Å
735	S	89.9	Confident	87.3	Confident	72 Å²	72	68.8 Å²	68.8	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-38.7	-179.9	177.4	0	0	0	0	112.8	M731 Q732 E733 E738 S739	M731-S735 PolarHBondContact O-N 3.27Å; Q732-S735 PolarHBondContact O-N 3.45Å; E733-S735 VanDerWaalsContact C-N 3.34Å; E733-S735 PolarHBondContact O-N 3.49Å; S735-E738 PolarHBondContact O-N 2.7Å; S735-S739 PolarHBondContact O-N 3.21Å
736	K	89.2	Confident	87.6	Confident	129 Å²	129	66 Å²	66	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-62.8	-45.9	174.4	-72.9	174	-179.6	176.8	0	111.9	Q732 E733 K734 S739 E740	Q732-K736 WeakPolarHBondContact O-CG 3.2Å; Q732-K736 PolarHBondContact O-N 3.2Å; Q732-K736 VanDerWaalsContact O-N 3.07Å; E733-K736 PolarHBondContact O-N 3.03Å; K734-K736 VanDerWaalsContact C-N 3.33Å; K734-K736 PolarHBondContact O-N 2.67Å; K736-S739 PolarHBondContact O-N 3.21Å; K736-E740 PolarHBondContact O-N 3.28Å
737	L	89.1	Confident	87.8	Confident	31 Å²	31	68.4 Å²	68.4	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-65.6	-37.2	178.2	-67.9	169.5	0	0	0	112	T417 K420 I421 K424 E733 K734 S739 E740 L741	T417-L737 HydrophobicContact CG2-CB 4.46Å; T417-L737 HydrophobicContact CG2-CD2 4.26Å; K420-L737 HydrophobicContact CB-CD1 4.08Å; I421-L737 HydrophobicContact CD1-CB 4.07Å; I421-L737 HydrophobicContact CG1-CB 3.57Å; I421-L737 HydrophobicContact CG1-CD1 4.34Å; K424-L737 HydrophobicContact CG-CD1 4.27Å; E733-L737 WeakPolarHBondContact O-CG 3.41Å; E733-L737 PolarHBondContact O-N 3.44Å; K734-L737 PolarHBondContact O-N 2.78Å; L737-S739 VanDerWaalsContact C-N 3.35Å; L737-E740 PolarHBondContact O-N 2.73Å; L737-L741 WeakPolarHBondContact O-CB 3.24Å; L737-L741 PolarHBondContact O-N 3.04Å
738	E	88.9	Confident	87.9	Confident	85 Å²	85	67.9 Å²	67.9	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-38.7	173.9	-75	175.1	154.8	0	0	111.9	I421 K734 S735 L741 A742	I421-E738 HydrophobicContact CD1-CG 4.06Å; I421-E738 HydrophobicContact CG2-CG 4.42Å; K734-E738 VanDerWaalsContact CE-CD 3.48Å; K734-E738 WeakPolarHBondContact CE-OE1 3.37Å; K734-E738 HydrophobicContact CG-CG 4.46Å; K734-E738 IonicContact NZ-OE1 3.54Å; K734-E738 WeakPolarHBondContact O-CG 3.38Å; K734-E738 PolarHBondContact O-N 3.35Å; S735-E738 PolarHBondContact O-N 2.7Å; E738-L741 WeakPolarHBondContact O-CB 3.37Å; E738-L741 PolarHBondContact O-N 2.82Å; E738-A742 PolarHBondContact O-N 3.05Å
739	S	88.6	Confident	88	Confident	75 Å²	75	69.5 Å²	69.5	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-67.3	-36.6	173.5	-175	0	0	0	0	112.5	S735 K736 L737 N743	S735-S739 PolarHBondContact O-N 3.21Å; K736-S739 PolarHBondContact O-N 3.21Å; L737-S739 VanDerWaalsContact C-N 3.35Å; S739-N743 PolarHBondContact O-ND2 3.05Å
740	E	87.1	Confident	88.1	Confident	98 Å²	98	70 Å²	70	46%	0.458	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-39.3	174.9	-167.6	174.9	-174	0	0	111	K736 L737 A742 N743 F744	K736-E740 PolarHBondContact O-N 3.28Å; L737-E740 PolarHBondContact O-N 2.73Å; E740-A742 VanDerWaalsContact C-N 3.28Å; E740-A742 PolarHBondContact O-N 3.39Å; E740-N743 WeakPolarHBondContact O-CB 3.42Å; E740-N743 PolarHBondContact O-N 2.78Å; E740-F744 HydrophobicContact CG-CE2 3.96Å; E740-F744 HydrophobicContact CG-CZ 4.37Å; E740-F744 WeakPolarHBondContact O-CD2 3.44Å
741	L	89.9	Confident	88	Confident	44 Å²	44	69.5 Å²	69.5	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-57.4	-40.6	176.2	-173.8	64.1	0	0	0	112.4	K414 E418 I421 L737 E738 N743 F744	K414-L741 HydrophobicContact CG-CD1 3.72Å; E418-L741 HydrophobicContact CG-CD1 3.58Å; E418-L741 HydrophobicContact CG-CD2 3.92Å; E418-L741 HydrophobicContact CG-CG 4.42Å; I421-L741 HydrophobicContact CD1-CB 4.19Å; I421-L741 HydrophobicContact CD1-CD2 3.9Å; L737-L741 WeakPolarHBondContact O-CB 3.24Å; L737-L741 PolarHBondContact O-N 3.04Å; E738-L741 WeakPolarHBondContact O-CB 3.37Å; E738-L741 PolarHBondContact O-N 2.82Å; L741-N743 PolarHBondContact O-N 3.32Å; L741-F744 PolarHBondContact O-N 3.28Å
742	A	87.1	Confident	88.1	Confident	68 Å²	68	69 Å²	69	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-62.3	-27.5	178.3	0	0	0	0	0	113.2	E738 E740 P746	E738-A742 PolarHBondContact O-N 3.05Å; E740-A742 VanDerWaalsContact C-N 3.28Å; E740-A742 PolarHBondContact O-N 3.39Å; A742-P746 WeakPolarHBondContact O-CD 3.37Å
743	N	87.1	Confident	88.2	Confident	84 Å²	84	71.6 Å²	71.6	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-80.6	-21.7	-178.5	-67	-32.1	0	0	0	113.7	S739 E740 L741 R747	S739-N743 PolarHBondContact O-ND2 3.05Å; E740-N743 WeakPolarHBondContact O-CB 3.42Å; E740-N743 PolarHBondContact O-N 2.78Å; L741-N743 PolarHBondContact O-N 3.32Å; N743-R747 WeakPolarHBondContact O-CG 3.37Å
744	F	88.4	Confident	88.2	Confident	9 Å²	9	71.9 Å²	71.9	4%	0.039	37%	0.373	C	S	.	.	H	α-helix	trans	-70.7	-34.2	179	-71.5	-68.9	0	0	0	112.6	E410 K413 K414 T417 E740 L741 R747 I748	E410-F744 WeakPolarHBondContact OE2-CD1 3.38Å; E410-F744 WeakPolarHBondContact OE2-CE1 3.41Å; K413-F744 HydrophobicContact CB-CE1 3.86Å; K413-F744 HydrophobicContact CB-CZ 4.03Å; K413-F744 HydrophobicContact CD-CE1 4.33Å; K414-F744 HydrophobicContact CB-CB 4.22Å; K414-F744 HydrophobicContact CB-CD2 4.45Å; K414-F744 HydrophobicContact CB-CG 4.26Å; K414-F744 HydrophobicContact CG-CB 4.25Å; T417-F744 HydrophobicContact CG2-CE2 4.46Å; E740-F744 HydrophobicContact CG-CE2 3.96Å; E740-F744 HydrophobicContact CG-CZ 4.37Å; E740-F744 WeakPolarHBondContact O-CD2 3.44Å; L741-F744 PolarHBondContact O-N 3.28Å; F744-R747 PolarHBondContact O-N 3.42Å; F744-I748 HydrophobicContact CB-CD1 4.36Å; F744-I748 WeakPolarHBondContact O-CB 3.27Å; F744-I748 WeakPolarHBondContact O-CD1 3.37Å; F744-I748 VanDerWaalsContact O-CG1 3.28Å; F744-I748 WeakPolarHBondContact O-CG1 3.42Å; F744-I748 PolarHBondContact O-N 3.46Å
745	G	84.8	Confident	88	Confident	29 Å²	29	70 Å²	70	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-56.8	-55.2	180	0	0	0	0	0	113.7	R747 I748 N749	G745-R747 PolarHBondContact O-N 3.46Å; G745-I748 PolarHBondContact O-N 2.94Å; G745-N749 PolarHBondContact O-N 3.18Å; G745-N749 VanDerWaalsContact O-N 3.12Å
746	P	88.8	Confident	87.9	Confident	74 Å²	74	71.7 Å²	71.7	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-57.1	-45.6	174.7	-26.8	35.1	0	0	0	113.3	A742 I748 N749 D750	A742-P746 WeakPolarHBondContact O-CD 3.37Å; P746-I748 PolarHBondContact O-N 3.41Å; P746-N749 PolarHBondContact O-N 3.04Å; P746-N749 VanDerWaalsContact O-N 3.16Å; P746-D750 PolarHBondContact O-N 2.83Å
747	R	86.4	Confident	87.8	Confident	134 Å²	134	68.3 Å²	68.3	51%	0.506	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-43.8	180	-70	177	-177.4	178.5	2.9	112.8	N743 F744 G745 N749 D750 I751	N743-R747 WeakPolarHBondContact O-CG 3.37Å; F744-R747 PolarHBondContact O-N 3.42Å; G745-R747 PolarHBondContact O-N 3.46Å; R747-N749 VanDerWaalsContact C-N 3.31Å; R747-N749 PolarHBondContact O-N 2.9Å; R747-D750 PolarHBondContact O-N 3.27Å; R747-I751 WeakPolarHBondContact O-CG1 3.5Å; R747-I751 PolarHBondContact O-N 3.22Å; R747-I751 VanDerWaalsContact O-N 3.11Å
748	I	88.7	Confident	87.6	Confident	11 Å²	11	68 Å²	68	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-42.4	176.4	-74.8	165.5	0	0	0	110.4	L407 E410 E411 K414 F744 G745 P746 I751 K752	L407-I748 HydrophobicContact CD1-CB 4.39Å; L407-I748 HydrophobicContact CD1-CG1 4.38Å; L407-I748 HydrophobicContact CD1-CG2 3.77Å; E410-I748 HydrophobicContact CB-CG1 4.25Å; E411-I748 HydrophobicContact CG-CD1 3.91Å; E411-I748 HydrophobicContact CG-CG1 4.29Å; K414-I748 HydrophobicContact CD-CD1 4.01Å; F744-I748 HydrophobicContact CB-CD1 4.36Å; F744-I748 WeakPolarHBondContact O-CB 3.27Å; F744-I748 WeakPolarHBondContact O-CD1 3.37Å; F744-I748 VanDerWaalsContact O-CG1 3.28Å; F744-I748 WeakPolarHBondContact O-CG1 3.42Å; F744-I748 PolarHBondContact O-N 3.46Å; G745-I748 PolarHBondContact O-N 2.94Å; P746-I748 PolarHBondContact O-N 3.41Å; I748-I751 PolarHBondContact O-N 3.27Å; I748-K752 HydrophobicContact CG2-CD 4.04Å; I748-K752 WeakPolarHBondContact O-CB 3.35Å; I748-K752 WeakPolarHBondContact O-CG 3.4Å; I748-K752 PolarHBondContact O-N 3.42Å
749	N	88.2	Confident	87.4	Confident	91 Å²	91	69 Å²	69	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-38.2	178.7	-76.9	-20.2	0	0	0	112.6	G745 P746 R747 K752 R753	G745-N749 PolarHBondContact O-N 3.18Å; G745-N749 VanDerWaalsContact O-N 3.12Å; P746-N749 PolarHBondContact O-N 3.04Å; P746-N749 VanDerWaalsContact O-N 3.16Å; R747-N749 VanDerWaalsContact C-N 3.31Å; R747-N749 PolarHBondContact O-N 2.9Å; N749-K752 PolarHBondContact O-N 3.21Å; N749-R753 WeakPolarHBondContact O-CG 3.3Å; N749-R753 PolarHBondContact O-N 2.88Å
750	D	87.8	Confident	87.2	Confident	87 Å²	87	74.3 Å²	74.3	47%	0.465	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-44	176.6	-68.8	-23.8	0	0	0	111.4	P746 R747 K752 R753 I754	P746-D750 PolarHBondContact O-N 2.83Å; R747-D750 PolarHBondContact O-N 3.27Å; D750-K752 PolarHBondContact O-N 3Å; D750-R753 PolarHBondContact O-N 2.97Å; D750-I754 WeakPolarHBondContact O-CG1 3.43Å; D750-I754 PolarHBondContact O-N 3.46Å
751	I	86.2	Confident	87	Confident	8 Å²	8	74 Å²	74	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-42.5	175.6	-62.8	164.1	0	0	0	110.6	R406 L407 E410 R747 I748 R753 I754 I755	R406-I751 HydrophobicContact CG-CD1 4.11Å; L407-I751 HydrophobicContact CB-CG2 3.91Å; E410-I751 HydrophobicContact CG-CD1 4.14Å; R747-I751 WeakPolarHBondContact O-CG1 3.5Å; R747-I751 PolarHBondContact O-N 3.22Å; R747-I751 VanDerWaalsContact O-N 3.11Å; I748-I751 PolarHBondContact O-N 3.27Å; I751-R753 VanDerWaalsContact C-N 3.28Å; I751-R753 PolarHBondContact O-N 3.01Å; I751-I754 PolarHBondContact O-N 3.28Å; I751-I754 VanDerWaalsContact O-N 3.14Å; I751-I755 HydrophobicContact CG2-CD1 3.96Å; I751-I755 HydrophobicContact CG2-CG1 4.42Å; I751-I755 WeakPolarHBondContact O-CG1 3.5Å; I751-I755 PolarHBondContact O-N 3.45Å
752	K	88.5	Confident	86.6	Confident	78 Å²	78	72.2 Å²	72.2	34%	0.339	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-36.7	176	-77.6	177.8	-178.5	172.4	0	112.5	L407 E411 I748 N749 D750 Q756	L407-K752 HydrophobicContact CD1-CG 4.2Å; L407-K752 HydrophobicContact CD2-CG 4Å; E411-K752 IonicContact OE1-NZ 2.82Å; E411-K752 PolarHBondContact OE1-NZ 2.93Å; I748-K752 HydrophobicContact CG2-CD 4.04Å; I748-K752 WeakPolarHBondContact O-CB 3.35Å; I748-K752 WeakPolarHBondContact O-CG 3.4Å; I748-K752 PolarHBondContact O-N 3.42Å; N749-K752 PolarHBondContact O-N 3.21Å; D750-K752 PolarHBondContact O-N 3Å; K752-Q756 WeakPolarHBondContact O-CB 3.46Å; K752-Q756 VanDerWaalsContact O-CG 3.32Å; K752-Q756 WeakPolarHBondContact O-CG 3.32Å; K752-Q756 PolarHBondContact O-N 3.31Å
753	R	88.8	Confident	86.4	Confident	171 Å²	171	72.1 Å²	72.1	65%	0.645	35%	0.349	S	S	*	.	H	α-helix	trans	-66.5	-40.9	174.9	-72.4	178.9	-168.8	-179.6	5.1	112.6	N749 D750 I751 Q756 S757	N749-R753 WeakPolarHBondContact O-CG 3.3Å; N749-R753 PolarHBondContact O-N 2.88Å; D750-R753 PolarHBondContact O-N 2.97Å; I751-R753 VanDerWaalsContact C-N 3.28Å; I751-R753 PolarHBondContact O-N 3.01Å; R753-Q756 PolarHBondContact O-N 3.41Å; R753-S757 PolarHBondContact O-N 2.87Å; R753-S757 PolarHBondContact O-OG 3.38Å
754	I	88.1	Confident	86.2	Confident	76 Å²	76	72.1 Å²	72.1	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-43.2	177.2	-65.3	168.1	0	0	0	110.6	D750 I751 Q756 S757 R758	D750-I754 WeakPolarHBondContact O-CG1 3.43Å; D750-I754 PolarHBondContact O-N 3.46Å; I751-I754 PolarHBondContact O-N 3.28Å; I751-I754 VanDerWaalsContact O-N 3.14Å; I754-Q756 PolarHBondContact O-N 2.92Å; I754-S757 PolarHBondContact O-N 3.45Å; I754-S757 PolarHBondContact O-OG 3.45Å; I754-R758 WeakPolarHBondContact O-CB 3.25Å; I754-R758 PolarHBondContact O-N 3.37Å; I754-R758 VanDerWaalsContact O-N 3.07Å
755	I	86.8	Confident	85.8	Confident	15 Å²	15	71.9 Å²	71.9	8%	0.077	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-45.9	175.5	-69.1	173	0	0	0	110.4	Q400 D403 L407 I751 R758 E759	Q400-I755 PolarHBondContact NE2-O 2.95Å; Q400-I755 VanDerWaalsContact NE2-O 3.16Å; D403-I755 HydrophobicContact CB-CD1 4.43Å; D403-I755 HydrophobicContact CB-CG1 4.02Å; L407-I755 HydrophobicContact CB-CD1 4.22Å; L407-I755 HydrophobicContact CD2-CD1 3.93Å; I751-I755 HydrophobicContact CG2-CD1 3.96Å; I751-I755 HydrophobicContact CG2-CG1 4.42Å; I751-I755 WeakPolarHBondContact O-CG1 3.5Å; I751-I755 PolarHBondContact O-N 3.45Å; I755-R758 PolarHBondContact O-N 3.09Å; I755-E759 WeakPolarHBondContact O-CB 3.37Å; I755-E759 PolarHBondContact O-N 2.93Å
756	Q	86.7	Confident	85.6	Confident	109 Å²	109	76.4 Å²	76.4	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-38.5	178.7	-77	177.5	-0.5	0	0	113.4	K752 R753 I754 R760	K752-Q756 WeakPolarHBondContact O-CB 3.46Å; K752-Q756 VanDerWaalsContact O-CG 3.32Å; K752-Q756 WeakPolarHBondContact O-CG 3.32Å; K752-Q756 PolarHBondContact O-N 3.31Å; R753-Q756 PolarHBondContact O-N 3.41Å; I754-Q756 PolarHBondContact O-N 2.92Å; Q756-R760 PolarHBondContact O-N 3.3Å
757	S	86.9	Confident	85.1	Confident	57 Å²	57	77 Å²	77	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-66.9	-42.7	177.1	58.9	0	0	0	0	111.2	R753 I754 R760 E761	R753-S757 PolarHBondContact O-N 2.87Å; R753-S757 PolarHBondContact O-OG 3.38Å; I754-S757 PolarHBondContact O-N 3.45Å; I754-S757 PolarHBondContact O-OG 3.45Å; S757-R760 WeakPolarHBondContact O-CB 3.44Å; S757-R760 PolarHBondContact O-N 3.49Å; S757-E761 PolarHBondContact O-N 3.36Å
758	R	85	Confident	84.7	Confident	24 Å²	24	75.5 Å²	75.5	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-72.5	-29.3	-179.9	-169.2	167.3	55.6	-146.7	-13.9	112.9	F396 D399 Q400 D403 I754 I755 R760 E761 I762	F396-R758 HydrophobicContact CD1-CG 3.77Å; F396-R758 HydrophobicContact CE1-CG 4.48Å; D399-R758 VanDerWaalsContact C-NH1 3.32Å; D399-R758 VanDerWaalsContact C-NH2 3.28Å; D399-R758 VanDerWaalsContact CB-NH1 3.26Å; D399-R758 PolarHBondContact O-NH1 3.2Å; D399-R758 PolarHBondContact O-NH2 3.43Å; Q400-R758 VanDerWaalsContact N-CZ 3.26Å; D403-R758 VanDerWaalsContact CB-NH2 3.27Å; D403-R758 IonicContact OD2-CZ 3.31Å; D403-R758 IonicContact OD2-NH1 3.57Å; D403-R758 PolarHBondContact OD2-NH1 2.79Å; D403-R758 IonicContact OD2-NH2 3Å; D403-R758 PolarHBondContact OD2-NH2 3.46Å; I754-R758 WeakPolarHBondContact O-CB 3.25Å; I754-R758 PolarHBondContact O-N 3.37Å; I754-R758 VanDerWaalsContact O-N 3.07Å; I755-R758 PolarHBondContact O-N 3.09Å; R758-R760 VanDerWaalsContact C-N 3.26Å; R758-R760 PolarHBondContact O-N 2.98Å; R758-E761 PolarHBondContact O-N 3.19Å; R758-E761 VanDerWaalsContact O-N 3.15Å; R758-I762 HydrophobicContact CG-CD1 4.37Å; R758-I762 WeakPolarHBondContact O-CG1 3.49Å; R758-I762 PolarHBondContact O-N 2.65Å
759	E	85	Confident	84.1	Confident	108 Å²	108	76.4 Å²	76.4	51%	0.505	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-35.5	171.6	-168.2	159.8	-150.6	0	0	111.9	I755 I762 T763	I755-E759 WeakPolarHBondContact O-CB 3.37Å; I755-E759 PolarHBondContact O-N 2.93Å; E759-I762 PolarHBondContact O-N 3.49Å; E759-T763 WeakPolarHBondContact O-CB 3.12Å; E759-T763 PolarHBondContact O-N 3.39Å; E759-T763 PolarHBondContact O-OG1 2.89Å
760	R	85.1	Confident	83.5	Confident	186 Å²	186	73.9 Å²	73.9	70%	0.702	34%	0.341	S	S	*	.	H	α-helix	trans	-65.1	-41.4	172.2	-63.8	175	-170.8	173.3	2.4	112.1	Q756 S757 R758 T763 D764	Q756-R760 PolarHBondContact O-N 3.3Å; S757-R760 WeakPolarHBondContact O-CB 3.44Å; S757-R760 PolarHBondContact O-N 3.49Å; R758-R760 VanDerWaalsContact C-N 3.26Å; R758-R760 PolarHBondContact O-N 2.98Å; R760-T763 PolarHBondContact O-N 3.29Å; R760-D764 PolarHBondContact O-N 2.93Å
761	E	82.6	Confident	83.1	Confident	91 Å²	91	75 Å²	75	43%	0.425	35%	0.347	S	S	.	.	H	α-helix	trans	-66.1	-39.7	177	-66	174.6	-178	0	0	112.1	F396 S757 R758 T763 D764 L765	F396-E761 WeakPolarHBondContact CE1-OE2 3.49Å; S757-E761 PolarHBondContact O-N 3.36Å; R758-E761 PolarHBondContact O-N 3.19Å; R758-E761 VanDerWaalsContact O-N 3.15Å; E761-T763 VanDerWaalsContact C-N 3.3Å; E761-T763 PolarHBondContact O-N 2.98Å; E761-D764 PolarHBondContact O-N 2.78Å; E761-L765 WeakPolarHBondContact O-CB 3.31Å; E761-L765 PolarHBondContact O-N 3.04Å
762	I	82.4	Confident	82.6	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-40.6	172.8	-69.1	167.2	0	0	0	110.4	L393 F396 Q400 R758 E759 L765 R766	L393-I762 HydrophobicContact CD1-CG2 4.43Å; F396-I762 HydrophobicContact CB-CD1 4.34Å; F396-I762 HydrophobicContact CB-CG1 3.8Å; Q400-I762 HydrophobicContact CB-CD1 3.94Å; Q400-I762 HydrophobicContact CG-CD1 4.03Å; R758-I762 HydrophobicContact CG-CD1 4.37Å; R758-I762 WeakPolarHBondContact O-CG1 3.49Å; R758-I762 PolarHBondContact O-N 2.65Å; E759-I762 PolarHBondContact O-N 3.49Å; I762-L765 PolarHBondContact O-N 2.9Å; I762-R766 WeakPolarHBondContact O-CG 3.16Å; I762-R766 PolarHBondContact O-N 3.42Å
763	T	82.9	Confident	81.7	Confident	65 Å²	65	74.8 Å²	74.8	40%	0.399	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-45.5	178.5	-49.4	0	0	0	0	111	E759 R760 E761 L765 R766 D767	E759-T763 WeakPolarHBondContact O-CB 3.12Å; E759-T763 PolarHBondContact O-N 3.39Å; E759-T763 PolarHBondContact O-OG1 2.89Å; R760-T763 PolarHBondContact O-N 3.29Å; E761-T763 VanDerWaalsContact C-N 3.3Å; E761-T763 PolarHBondContact O-N 2.98Å; T763-L765 PolarHBondContact O-N 3.01Å; T763-R766 WeakPolarHBondContact O-CB 3.24Å; T763-R766 PolarHBondContact O-N 2.92Å; T763-D767 PolarHBondContact O-N 2.92Å
764	D	82.7	Confident	81	Confident	84 Å²	84	68.6 Å²	68.6	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-41.4	175.9	179.8	79.3	0	0	0	112.8	R760 E761 D767 R768	R760-D764 PolarHBondContact O-N 2.93Å; E761-D764 PolarHBondContact O-N 2.78Å; D764-D767 PolarHBondContact O-N 3.45Å; D764-R768 PolarHBondContact O-N 2.84Å; D764-R768 IonicContact OD2-CZ 2.74Å; D764-R768 IonicContact OD2-NE 3.51Å; D764-R768 PolarHBondContact OD2-NE 3.48Å; D764-R768 IonicContact OD2-NH2 3.25Å; D764-R768 PolarHBondContact OD2-NH2 2.93Å
765	L	80.4	Confident	80.3	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-39.3	174.4	-81	166.9	0	0	0	112.2	L389 E392 L393 F396 E761 I762 T763 R768 M769	L389-L765 HydrophobicContact CD2-CD2 4Å; E392-L765 HydrophobicContact CB-CD1 4.48Å; E392-L765 HydrophobicContact CB-CD2 4.44Å; L393-L765 HydrophobicContact CD1-CB 4.17Å; F396-L765 HydrophobicContact CD2-CD1 3.49Å; F396-L765 VanDerWaalsContact CD2-CD1 3.49Å; F396-L765 HydrophobicContact CE2-CD1 3.82Å; F396-L765 HydrophobicContact CG-CD1 4.32Å; E761-L765 WeakPolarHBondContact O-CB 3.31Å; E761-L765 PolarHBondContact O-N 3.04Å; I762-L765 PolarHBondContact O-N 2.9Å; T763-L765 PolarHBondContact O-N 3.01Å; L765-R768 VanDerWaalsContact CD2-NH2 3.26Å; L765-R768 PolarHBondContact O-N 2.98Å; L765-M769 WeakPolarHBondContact O-CG 3.44Å; L765-M769 PolarHBondContact O-N 3.44Å
766	R	79.5	Confident	79.8	Confident	125 Å²	125	71.6 Å²	71.6	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-44.6	173.2	-76.5	-177.1	-177.1	153.6	3.8	111.2	L393 I762 T763 R768 M769 N770	L393-R766 HydrophobicContact CD1-CB 4.43Å; L393-R766 HydrophobicContact CD1-CG 3.41Å; L393-R766 VanDerWaalsContact CD1-CG 3.41Å; I762-R766 WeakPolarHBondContact O-CG 3.16Å; I762-R766 PolarHBondContact O-N 3.42Å; T763-R766 WeakPolarHBondContact O-CB 3.24Å; T763-R766 PolarHBondContact O-N 2.92Å; R766-R768 VanDerWaalsContact C-N 3.27Å; R766-R768 PolarHBondContact O-N 2.95Å; R766-M769 PolarHBondContact O-N 2.96Å; R766-M769 VanDerWaalsContact O-N 3.16Å; R766-N770 WeakPolarHBondContact O-CB 3.39Å; R766-N770 PolarHBondContact O-N 3.26Å; R766-N770 PolarHBondContact O-ND2 3.01Å
767	D	78.9	Confident	79	Confident	85 Å²	85	66.6 Å²	66.6	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-34.1	179.6	-70.3	-22.1	0	0	0	112.1	T763 D764 N770 L771	T763-D767 PolarHBondContact O-N 2.92Å; D764-D767 PolarHBondContact O-N 3.45Å; D767-N770 WeakPolarHBondContact O-CB 3.29Å; D767-L771 WeakPolarHBondContact O-CG 3.24Å; D767-L771 PolarHBondContact O-N 3.38Å
768	R	78.6	Confident	78.4	Confident	103 Å²	103	67.6 Å²	67.6	39%	0.389	32%	0.322	S	S	.	.	H	α-helix	trans	-68.9	-41.3	171.1	-74.5	-173.4	-83.3	146.6	-7.6	113.4	L389 D764 L765 R766 N770 L771 V772	L389-R768 HydrophobicContact CD1-CB 4.28Å; D764-R768 PolarHBondContact O-N 2.84Å; D764-R768 IonicContact OD2-CZ 2.74Å; D764-R768 IonicContact OD2-NE 3.51Å; D764-R768 PolarHBondContact OD2-NE 3.48Å; D764-R768 IonicContact OD2-NH2 3.25Å; D764-R768 PolarHBondContact OD2-NH2 2.93Å; L765-R768 VanDerWaalsContact CD2-NH2 3.26Å; L765-R768 PolarHBondContact O-N 2.98Å; R766-R768 VanDerWaalsContact C-N 3.27Å; R766-R768 PolarHBondContact O-N 2.95Å; R768-N770 VanDerWaalsContact C-N 3.32Å; R768-L771 PolarHBondContact O-N 3.4Å; R768-V772 WeakPolarHBondContact O-CG2 3.36Å; R768-V772 PolarHBondContact O-N 3.46Å
769	M	74.8	Confident	77.5	Confident	30 Å²	30	74.2 Å²	74.2	15%	0.148	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-41.5	173.6	-73.6	-178.3	63.8	0	0	111.7	A386 L389 A390 L393 L765 R766 L771 V772 E773	A386-M769 HydrophobicContact CB-CE 4.2Å; L389-M769 HydrophobicContact CB-CG 3.53Å; L389-M769 HydrophobicContact CB-SD 4.2Å; L389-M769 HydrophobicContact CD1-CG 4.13Å; L389-M769 HydrophobicContact CG-CG 4.46Å; A390-M769 HydrophobicContact CB-CE 3.87Å; A390-M769 HydrophobicContact CB-SD 4.43Å; L393-M769 HydrophobicContact CB-SD 4.23Å; L393-M769 HydrophobicContact CD1-SD 4.09Å; L765-M769 WeakPolarHBondContact O-CG 3.44Å; L765-M769 PolarHBondContact O-N 3.44Å; R766-M769 PolarHBondContact O-N 2.96Å; R766-M769 VanDerWaalsContact O-N 3.16Å; M769-L771 PolarHBondContact O-N 3.39Å; M769-V772 WeakPolarHBondContact O-CB 3.37Å; M769-V772 PolarHBondContact O-N 2.82Å; M769-V772 VanDerWaalsContact O-N 3.12Å; M769-E773 PolarHBondContact O-N 2.69Å
770	N	76.9	Confident	76.6	Confident	38 Å²	38	69.1 Å²	69.1	20%	0.203	33%	0.33	C	S	.	.	H	α-helix	trans	-55.7	-49.4	175.6	-82.6	-12.8	0	0	0	111.2	R766 D767 R768 V772 E773 D774 R790	R766-N770 WeakPolarHBondContact O-CB 3.39Å; R766-N770 PolarHBondContact O-N 3.26Å; R766-N770 PolarHBondContact O-ND2 3.01Å; D767-N770 WeakPolarHBondContact O-CB 3.29Å; R768-N770 VanDerWaalsContact C-N 3.32Å; N770-V772 VanDerWaalsContact C-N 3.26Å; N770-V772 PolarHBondContact O-N 3.5Å; N770-E773 PolarHBondContact O-N 2.85Å; N770-E773 VanDerWaalsContact O-N 3.08Å; N770-D774 PolarHBondContact O-N 3.38Å; N770-R790 VanDerWaalsContact CG-NE 3.33Å; N770-R790 PolarHBondContact O-NH2 2.64Å; N770-R790 PolarHBondContact OD1-NE 2.97Å; N770-R790 VanDerWaalsContact OD1-NE 3.09Å
771	L	77.7	Confident	75.7	Confident	112 Å²	112	60.4 Å²	60.4	59%	0.586	30%	0.297	S	S	*	.	H	α-helix	trans	-55.5	-40.4	175.4	-76.8	159.3	0	0	0	112.7	D767 R768 M769 D774 E775	D767-L771 WeakPolarHBondContact O-CG 3.24Å; D767-L771 PolarHBondContact O-N 3.38Å; R768-L771 PolarHBondContact O-N 3.4Å; M769-L771 PolarHBondContact O-N 3.39Å; L771-D774 PolarHBondContact O-N 3.41Å; L771-E775 WeakPolarHBondContact O-CG 3.41Å; L771-E775 PolarHBondContact O-N 3.48Å
772	V	76.7	Confident	75	Confident	31 Å²	31	64.2 Å²	64.2	19%	0.188	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-38.6	177	176.7	0	0	0	0	111.8	R385 A386 L389 R768 M769 N770 V776	R385-V772 HydrophobicContact CB-CG1 3.74Å; A386-V772 HydrophobicContact CB-CG1 4.34Å; L389-V772 HydrophobicContact CD1-CG2 4.41Å; R768-V772 WeakPolarHBondContact O-CG2 3.36Å; R768-V772 PolarHBondContact O-N 3.46Å; M769-V772 WeakPolarHBondContact O-CB 3.37Å; M769-V772 PolarHBondContact O-N 2.82Å; M769-V772 VanDerWaalsContact O-N 3.12Å; N770-V772 VanDerWaalsContact C-N 3.26Å; N770-V772 PolarHBondContact O-N 3.5Å; V772-V776 WeakPolarHBondContact O-CG2 3.44Å; V772-V776 PolarHBondContact O-N 3.19Å
773	E	70.2	Confident	74.1	Confident	49 Å²	49	69.5 Å²	69.5	23%	0.229	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-42.1	174.7	-73	-176.4	164.8	0	0	112	A382 M769 N770 E775 V776 F777	A382-E773 HydrophobicContact CB-CG 4.18Å; M769-E773 PolarHBondContact O-N 2.69Å; N770-E773 PolarHBondContact O-N 2.85Å; N770-E773 VanDerWaalsContact O-N 3.08Å; E773-E775 VanDerWaalsContact C-N 3.3Å; E773-E775 PolarHBondContact O-N 2.96Å; E773-V776 PolarHBondContact O-N 3.1Å; E773-F777 WeakPolarHBondContact O-CD2 3.4Å; E773-F777 PolarHBondContact O-N 2.79Å
774	D	73.9	Confident	73.1	Confident	41 Å²	41	67 Å²	67	22%	0.219	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-36.7	178.9	-71.9	-21.4	0	0	0	112	N770 L771 V778 N788 R790	N770-D774 PolarHBondContact O-N 3.38Å; L771-D774 PolarHBondContact O-N 3.41Å; D774-V778 WeakPolarHBondContact O-CB 3.03Å; D774-V778 WeakPolarHBondContact O-CG2 3.41Å; D774-V778 PolarHBondContact O-N 2.85Å; D774-V778 VanDerWaalsContact O-N 3.11Å; D774-N788 WeakPolarHBondContact OD1-CB 3.47Å; D774-R790 IonicContact OD1-CZ 2.72Å; D774-R790 IonicContact OD1-NH2 3.54Å; D774-R790 PolarHBondContact OD1-NH2 2.95Å; D774-R790 IonicContact OD2-CZ 3.95Å; D774-R790 IonicContact OD2-NH1 2.74Å; D774-R790 IonicContact OD2-NH2 2.82Å; D774-R790 PolarHBondContact OD2-NH2 2.81Å
775	E	73.7	Confident	72	Confident	139 Å²	139	66.3 Å²	66.3	65%	0.65	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-41.1	174	-75.4	-177.3	177.1	0	0	112.9	L771 E773	L771-E775 WeakPolarHBondContact O-CG 3.41Å; L771-E775 PolarHBondContact O-N 3.48Å; E773-E775 VanDerWaalsContact C-N 3.3Å; E773-E775 PolarHBondContact O-N 2.96Å
776	V	74.3	Confident	71.2	Confident	16 Å²	16	67.6 Å²	67.6	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-74.9	-33.5	-177.7	175.7	0	0	0	0	111.5	L378 E381 A382 V772 E773	L378-V776 HydrophobicContact CB-CG1 4.39Å; L378-V776 HydrophobicContact CD2-CG1 4.22Å; L378-V776 WeakPolarHBondContact O-CG1 3.49Å; E381-V776 HydrophobicContact CB-CG1 4.26Å; E381-V776 HydrophobicContact CG-CG1 4.42Å; A382-V776 HydrophobicContact CB-CB 4.05Å; A382-V776 HydrophobicContact CB-CG1 3.96Å; A382-V776 HydrophobicContact CB-CG2 4.26Å; V772-V776 WeakPolarHBondContact O-CG2 3.44Å; V772-V776 PolarHBondContact O-N 3.19Å; E773-V776 PolarHBondContact O-N 3.1Å
777	F	71.1	Confident	70.4	Confident	3 Å²	3	72.3 Å²	72.3	1%	0.013	36%	0.36	C	S	.	.	H	α-helix	trans	-96.4	1.4	-176.6	-77.1	-87.6	0	0	0	114.7	Y375 L378 K379 A382 E773 E779 F780 C781 I789	Y375-F777 AromaticContact CD2-CE1 3.86Å; Y375-F777 HydrophobicContact CD2-CE1 3.86Å; Y375-F777 HydrophobicContact CD2-CZ 4.49Å; Y375-F777 HydrophobicContact CE2-CE1 4.21Å; L378-F777 HydrophobicContact CB-CD1 3.99Å; L378-F777 HydrophobicContact CB-CE1 3.57Å; L378-F777 HydrophobicContact CB-CE2 4.44Å; L378-F777 HydrophobicContact CB-CZ 3.85Å; L378-F777 HydrophobicContact CD1-CD1 4.24Å; L378-F777 HydrophobicContact CD1-CE1 4.44Å; K379-F777 HydrophobicContact CB-CZ 3.86Å; K379-F777 HydrophobicContact CG-CZ 4.45Å; K379-F777 VanDerWaalsContact N-CZ 3.33Å; A382-F777 HydrophobicContact CB-CD2 4.39Å; A382-F777 HydrophobicContact CB-CE2 3.82Å; E773-F777 WeakPolarHBondContact O-CD2 3.4Å; E773-F777 PolarHBondContact O-N 2.79Å; F777-E779 VanDerWaalsContact C-N 3.33Å; F777-E779 PolarHBondContact O-N 2.85Å; F777-F780 HydrophobicContact CD1-CB 4.36Å; F777-F780 AromaticContact CD1-CD1 3.88Å; F777-F780 HydrophobicContact CD1-CD1 3.88Å; F777-F780 HydrophobicContact CD1-CG 4.4Å; F777-F780 HydrophobicContact CE1-CD1 4.39Å; F777-F780 PolarHBondContact O-N 3.35Å; F777-F780 VanDerWaalsContact O-N 3.13Å; F777-C781 WeakPolarHBondContact O-CB 3.48Å; F777-C781 PolarHBondContact O-N 2.88Å; F777-C781 PolarHBondContact O-SG 2.8Å; F777-I789 HydrophobicContact CB-CB 3.85Å; F777-I789 HydrophobicContact CB-CG1 4.41Å; F777-I789 HydrophobicContact CB-CG2 4.1Å; F777-I789 HydrophobicContact CD1-CB 4.1Å; F777-I789 HydrophobicContact CD1-CD1 3.78Å; F777-I789 HydrophobicContact CD1-CG1 3.7Å; F777-I789 HydrophobicContact CD2-CB 4.31Å; F777-I789 HydrophobicContact CD2-CG1 4.34Å; F777-I789 HydrophobicContact CD2-CG2 3.99Å; F777-I789 HydrophobicContact CE1-CD1 4.03Å; F777-I789 HydrophobicContact CE1-CG1 3.9Å; F777-I789 HydrophobicContact CG-CB 3.84Å; F777-I789 HydrophobicContact CG-CD1 4.41Å; F777-I789 HydrophobicContact CG-CG1 3.91Å; F777-I789 HydrophobicContact CG-CG2 4.02Å; F777-I789 HydrophobicContact CZ-CG1 4.29Å
778	V	73.8	Confident	69.7	Low	79 Å²	79	70.4 Å²	70.4	48%	0.479	35%	0.35	S	S	.	.	H	α-helix	trans	-56.4	-39.3	-173.4	120	0	0	0	0	114.2	D774	D774-V778 WeakPolarHBondContact O-CB 3.03Å; D774-V778 WeakPolarHBondContact O-CG2 3.41Å; D774-V778 PolarHBondContact O-N 2.85Å; D774-V778 VanDerWaalsContact O-N 3.11Å
779	E	65.6	Low	69.1	Low	162 Å²	162	65.6 Å²	65.6	76%	0.757	33%	0.331	S	S	*	.	H	α-helix	trans	-75.7	-39.9	178.5	-69.7	-158.6	155.1	0	0	111.7	F777 K782 E783	F777-E779 VanDerWaalsContact C-N 3.33Å; F777-E779 PolarHBondContact O-N 2.85Å; E779-K782 PolarHBondContact O-N 3.25Å; E779-E783 PolarHBondContact O-N 3.32Å
780	F	67.1	Low	68.8	Low	1 Å²	1	66.4 Å²	66.4	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-43.6	177.5	-174.6	-105.2	0	0	0	111.5	L367 Q371 Q374 Y375 L378 F777 K782 E783 I784 I789	L367-F780 HydrophobicContact CD1-CZ 4.42Å; Q371-F780 HydrophobicContact CB-CE2 4.39Å; Q374-F780 HydrophobicContact CB-CE2 4.34Å; Q374-F780 HydrophobicContact CG-CD2 4.2Å; Q374-F780 HydrophobicContact CG-CE2 4.44Å; Y375-F780 AromaticContact CD2-CE1 3.92Å; Y375-F780 HydrophobicContact CD2-CE1 3.92Å; Y375-F780 HydrophobicContact CD2-CZ 4.37Å; Y375-F780 HydrophobicContact CG-CE1 4.47Å; Y375-F780 HydrophobicContact CG-CZ 4.48Å; L378-F780 HydrophobicContact CD1-CB 3.49Å; L378-F780 VanDerWaalsContact CD1-CB 3.49Å; L378-F780 HydrophobicContact CD1-CD2 4Å; L378-F780 HydrophobicContact CD1-CG 3.8Å; F777-F780 HydrophobicContact CD1-CB 4.36Å; F777-F780 AromaticContact CD1-CD1 3.88Å; F777-F780 HydrophobicContact CD1-CD1 3.88Å; F777-F780 HydrophobicContact CD1-CG 4.4Å; F777-F780 HydrophobicContact CE1-CD1 4.39Å; F777-F780 PolarHBondContact O-N 3.35Å; F777-F780 VanDerWaalsContact O-N 3.13Å; F780-K782 VanDerWaalsContact C-N 3.33Å; F780-K782 PolarHBondContact O-N 2.99Å; F780-E783 VanDerWaalsContact O-CB 3.26Å; F780-E783 WeakPolarHBondContact O-CB 3.23Å; F780-E783 PolarHBondContact O-N 3.04Å; F780-I784 HydrophobicContact CD1-CD1 4.13Å; F780-I784 HydrophobicContact CE1-CD1 3.85Å; F780-I784 HydrophobicContact CE1-CG2 4.48Å; F780-I784 HydrophobicContact CZ-CG2 4.26Å; F780-I784 WeakPolarHBondContact O-CG1 3.35Å; F780-I784 PolarHBondContact O-N 3.06Å; F780-I789 HydrophobicContact CD1-CD1 4.02Å; F780-I789 HydrophobicContact CE1-CD1 4Å
781	C	65	Low	68.1	Low	4 Å²	4	67.9 Å²	67.9	3%	0.027	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-36	179.7	-64.9	0	0	0	0	113	F777 E783 I784 G785 V786 I789	F777-C781 WeakPolarHBondContact O-CB 3.48Å; F777-C781 PolarHBondContact O-N 2.88Å; F777-C781 PolarHBondContact O-SG 2.8Å; C781-E783 VanDerWaalsContact C-N 3.26Å; C781-E783 PolarHBondContact O-N 3.46Å; C781-I784 PolarHBondContact O-N 3.11Å; C781-G785 PolarHBondContact O-N 3.32Å; C781-G785 VanDerWaalsContact O-N 3.1Å; C781-V786 CarbonylContact C-O 3.55Å; C781-V786 WeakPolarHBondContact CB-O 3.45Å; C781-V786 PolarHBondContact O-N 3.13Å; C781-I789 PolarHBondContact SG-N 2.93Å
782	K	68.8	Low	67.2	Low	171 Å²	171	64.9 Å²	64.9	74%	0.743	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-31.4	172.9	-77.5	177.1	179.9	172.6	0	112.9	E779 F780	E779-K782 PolarHBondContact O-N 3.25Å; F780-K782 VanDerWaalsContact C-N 3.33Å; F780-K782 PolarHBondContact O-N 2.99Å
783	E	64	Low	66.4	Low	117 Å²	117	65.6 Å²	65.6	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-76.3	-35	-177.7	-145.3	172.9	-168.6	0	0	112	E779 F780 C781	E779-E783 PolarHBondContact O-N 3.32Å; F780-E783 VanDerWaalsContact O-CB 3.26Å; F780-E783 WeakPolarHBondContact O-CB 3.23Å; F780-E783 PolarHBondContact O-N 3.04Å; C781-E783 VanDerWaalsContact C-N 3.26Å; C781-E783 PolarHBondContact O-N 3.46Å
784	I	62.5	Low	65.8	Low	13 Å²	13	67.7 Å²	67.7	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-96	-0.9	-179.7	58.1	162.8	0	0	0	113.8	L367 F780 C781 V786 F792	L367-I784 HydrophobicContact CD2-CB 4.37Å; L367-I784 HydrophobicContact CD2-CG2 3.45Å; L367-I784 VanDerWaalsContact CD2-CG2 3.45Å; F780-I784 HydrophobicContact CD1-CD1 4.13Å; F780-I784 HydrophobicContact CE1-CD1 3.85Å; F780-I784 HydrophobicContact CE1-CG2 4.48Å; F780-I784 HydrophobicContact CZ-CG2 4.26Å; F780-I784 WeakPolarHBondContact O-CG1 3.35Å; F780-I784 PolarHBondContact O-N 3.06Å; C781-I784 PolarHBondContact O-N 3.11Å; I784-V786 HydrophobicContact CB-CG2 4.45Å; I784-V786 HydrophobicContact CD1-CG2 3.23Å; I784-V786 HydrophobicContact CG1-CG2 3.4Å; I784-F792 HydrophobicContact CD1-CB 4.18Å; I784-F792 HydrophobicContact CD1-CD2 4.19Å; I784-F792 HydrophobicContact CD1-CG 4.05Å
785	G	59.4	Low	64.9	Low	70 Å²	70	71.6 Å²	71.6	72%	0.722	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	18.8	172.3	0	0	0	0	0	116.1	C781	C781-G785 PolarHBondContact O-N 3.32Å; C781-G785 VanDerWaalsContact O-N 3.1Å
786	V	62.8	Low	64	Low	31 Å²	31	68.9 Å²	68.9	19%	0.188	34%	0.335	C	S	.	.			trans	-111.6	152.3	176.4	-84.2	0	0	0	0	111.4	C781 I784 E791 F792	C781-V786 CarbonylContact C-O 3.55Å; C781-V786 WeakPolarHBondContact CB-O 3.45Å; C781-V786 PolarHBondContact O-N 3.13Å; I784-V786 HydrophobicContact CB-CG2 4.45Å; I784-V786 HydrophobicContact CD1-CG2 3.23Å; I784-V786 HydrophobicContact CG1-CG2 3.4Å; V786-E791 HydrophobicContact CB-CB 4.07Å; V786-E791 HydrophobicContact CG1-CB 3.99Å; V786-F792 HydrophobicContact CG1-CB 4.44Å; V786-F792 HydrophobicContact CG2-CB 4.03Å
787	R	62.2	Low	63	Low	223 Å²	223	71.9 Å²	71.9	84%	0.842	35%	0.353	S	S	*	.	S	Bend	trans	-72.9	-32.6	-174	-65.6	177.7	175	-177.7	1.5	113.1	E791	R787-E791 WeakPolarHBondContact CB-OE2 3.35Å; R787-E791 PolarHBondContact N-OE2 3.01Å
788	N	64.3	Low	62.3	Low	46 Å²	46	76.5 Å²	76.5	25%	0.246	37%	0.373	C	S	.	.	S	Bend	trans	-151.6	166.9	173.7	59.2	21.2	0	0	0	110.2	D774 R790 E791	D774-N788 WeakPolarHBondContact OD1-CB 3.47Å; N788-R790 PolarHBondContact O-N 3.4Å; N788-R790 PolarHBondContact OD1-N 3.27Å; N788-E791 PolarHBondContact O-N 3.26Å; N788-E791 VanDerWaalsContact O-N 3.16Å; N788-E791 PolarHBondContact OD1-N 2.84Å
789	I	66.7	Low	61.5	Low	1 Å²	1	77.5 Å²	77.5	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-21.6	-176.1	-167.8	58	0	0	0	112	Y375 F777 F780 C781 F792 E793	Y375-I789 HydrophobicContact CD2-CD1 4Å; Y375-I789 HydrophobicContact CE2-CD1 3.86Å; Y375-I789 HydrophobicContact CE2-CG1 4.18Å; F777-I789 HydrophobicContact CB-CB 3.85Å; F777-I789 HydrophobicContact CB-CG1 4.41Å; F777-I789 HydrophobicContact CB-CG2 4.1Å; F777-I789 HydrophobicContact CD1-CB 4.1Å; F777-I789 HydrophobicContact CD1-CD1 3.78Å; F777-I789 HydrophobicContact CD1-CG1 3.7Å; F777-I789 HydrophobicContact CD2-CB 4.31Å; F777-I789 HydrophobicContact CD2-CG1 4.34Å; F777-I789 HydrophobicContact CD2-CG2 3.99Å; F777-I789 HydrophobicContact CE1-CD1 4.03Å; F777-I789 HydrophobicContact CE1-CG1 3.9Å; F777-I789 HydrophobicContact CG-CB 3.84Å; F777-I789 HydrophobicContact CG-CD1 4.41Å; F777-I789 HydrophobicContact CG-CG1 3.91Å; F777-I789 HydrophobicContact CG-CG2 4.02Å; F777-I789 HydrophobicContact CZ-CG1 4.29Å; F780-I789 HydrophobicContact CD1-CD1 4.02Å; F780-I789 HydrophobicContact CE1-CD1 4Å; C781-I789 PolarHBondContact SG-N 2.93Å; I789-F792 HydrophobicContact CD1-CD1 4.38Å; I789-F792 PolarHBondContact O-N 2.87Å; I789-E793 WeakPolarHBondContact O-CG 3.36Å; I789-E793 PolarHBondContact O-N 2.82Å
790	R	67.6	Low	60.9	Low	47 Å²	47	76.4 Å²	76.4	18%	0.177	36%	0.363	C	S	.	.	H	α-helix	trans	-71.5	-33.6	175.7	-67.7	178	-132	121.6	22.8	112.8	N770 D774 N788 F792 E793 E794	N770-R790 VanDerWaalsContact CG-NE 3.33Å; N770-R790 PolarHBondContact O-NH2 2.64Å; N770-R790 PolarHBondContact OD1-NE 2.97Å; N770-R790 VanDerWaalsContact OD1-NE 3.09Å; D774-R790 IonicContact OD1-CZ 2.72Å; D774-R790 IonicContact OD1-NH2 3.54Å; D774-R790 PolarHBondContact OD1-NH2 2.95Å; D774-R790 IonicContact OD2-CZ 3.95Å; D774-R790 IonicContact OD2-NH1 2.74Å; D774-R790 IonicContact OD2-NH2 2.82Å; D774-R790 PolarHBondContact OD2-NH2 2.81Å; N788-R790 PolarHBondContact O-N 3.4Å; N788-R790 PolarHBondContact OD1-N 3.27Å; R790-F792 PolarHBondContact O-N 2.72Å; R790-E793 PolarHBondContact O-N 2.69Å; R790-E794 HydrophobicContact CB-CG 4.39Å; R790-E794 WeakPolarHBondContact O-CA 3.44Å; R790-E794 WeakPolarHBondContact O-CB 3.45Å; R790-E794 WeakPolarHBondContact O-CG 3.38Å; R790-E794 PolarHBondContact O-N 2.86Å
791	E	62.1	Low	60.4	Low	70 Å²	70	81.1 Å²	81.1	33%	0.327	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-39.6	173.8	-126.7	173.3	-165.7	0	0	110.6	V786 R787 N788 E795	V786-E791 HydrophobicContact CB-CB 4.07Å; V786-E791 HydrophobicContact CG1-CB 3.99Å; R787-E791 WeakPolarHBondContact CB-OE2 3.35Å; R787-E791 PolarHBondContact N-OE2 3.01Å; N788-E791 PolarHBondContact O-N 3.26Å; N788-E791 VanDerWaalsContact O-N 3.16Å; N788-E791 PolarHBondContact OD1-N 2.84Å; E791-E795 WeakPolarHBondContact O-CB 3.49Å; E791-E795 PolarHBondContact O-N 3.42Å
792	F	59.3	Low	60.3	Low	48 Å²	48	86.5 Å²	86.5	21%	0.211	41%	0.413	C	S	.	.	H	α-helix	trans	-73.9	-40	176.2	-178.3	-101.1	0	0	0	113.5	L367 I784 V786 I789 R790	L367-F792 HydrophobicContact CD1-CE1 3.66Å; L367-F792 HydrophobicContact CD1-CE2 4.18Å; L367-F792 HydrophobicContact CD1-CZ 3.29Å; L367-F792 HydrophobicContact CD2-CE2 4.47Å; L367-F792 HydrophobicContact CD2-CZ 4.35Å; L367-F792 HydrophobicContact CG-CE1 4.49Å; L367-F792 HydrophobicContact CG-CE2 4.14Å; L367-F792 HydrophobicContact CG-CZ 3.67Å; I784-F792 HydrophobicContact CD1-CB 4.18Å; I784-F792 HydrophobicContact CD1-CD2 4.19Å; I784-F792 HydrophobicContact CD1-CG 4.05Å; V786-F792 HydrophobicContact CG1-CB 4.44Å; V786-F792 HydrophobicContact CG2-CB 4.03Å; I789-F792 HydrophobicContact CD1-CD1 4.38Å; I789-F792 PolarHBondContact O-N 2.87Å; R790-F792 PolarHBondContact O-N 2.72Å
793	E	60.2	Low	60.1	Low	46 Å²	46	80.1 Å²	80.1	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-77.4	-35.4	177.7	-70.6	-172.8	-175.4	0	0	113.3	Y375 K379 I789 R790 V797	Y375-E793 WeakPolarHBondContact CE2-OE1 3.36Å; Y375-E793 VanDerWaalsContact CZ-OE1 3.32Å; Y375-E793 PolarHBondContact OH-OE1 3Å; K379-E793 VanDerWaalsContact NZ-CD 3.34Å; K379-E793 IonicContact NZ-OE1 3.29Å; K379-E793 PolarHBondContact NZ-OE1 3.49Å; K379-E793 IonicContact NZ-OE2 3.46Å; K379-E793 PolarHBondContact NZ-OE2 3.13Å; I789-E793 WeakPolarHBondContact O-CG 3.36Å; I789-E793 PolarHBondContact O-N 2.82Å; R790-E793 PolarHBondContact O-N 2.69Å; E793-V797 WeakPolarHBondContact O-CA 3.44Å; E793-V797 VanDerWaalsContact O-CB 3.22Å; E793-V797 WeakPolarHBondContact O-CB 3.31Å; E793-V797 PolarHBondContact O-N 3.19Å
794	E	56.7	Low	60.1	Low	93 Å²	93	77 Å²	77	44%	0.435	38%	0.381	S	S	.	.	I	π-helix	trans	-73	-39	-179.4	-71.9	-169.4	129.1	0	0	112.3	R790 K798	R790-E794 HydrophobicContact CB-CG 4.39Å; R790-E794 WeakPolarHBondContact O-CA 3.44Å; R790-E794 WeakPolarHBondContact O-CB 3.45Å; R790-E794 WeakPolarHBondContact O-CG 3.38Å; R790-E794 PolarHBondContact O-N 2.86Å; E794-K798 HydrophobicContact CB-CD 4.2Å; E794-K798 HydrophobicContact CG-CD 4.07Å; E794-K798 WeakPolarHBondContact O-CB 3.45Å; E794-K798 PolarHBondContact O-N 3.27Å; E794-K798 IonicContact OE1-NZ 2.84Å; E794-K798 PolarHBondContact OE1-NZ 3.33Å
795	E	55.1	Low	60.6	Low	123 Å²	123	82.8 Å²	82.8	58%	0.575	41%	0.406	S	S	*	.	I	π-helix	trans	-69.6	-34.4	179.9	-79.4	-161.6	140	0	0	113.3	E791 R799	E791-E795 WeakPolarHBondContact O-CB 3.49Å; E791-E795 PolarHBondContact O-N 3.42Å; E795-R799 WeakPolarHBondContact O-CB 3.29Å; E795-R799 PolarHBondContact O-NE 2.99Å
796	K	54.7	Low	61.2	Low	82 Å²	82	84.4 Å²	84.4	36%	0.357	39%	0.393	S	S	.	.	I	π-helix	trans	-98.2	-49.2	-178.3	-115	-167.4	179.4	173.7	0	114.6	D364 Q800	D364-K796 VanDerWaalsContact CG-NZ 3.32Å; D364-K796 WeakPolarHBondContact OD1-CE 3.33Å; D364-K796 IonicContact OD1-NZ 3.53Å; D364-K796 PolarHBondContact OD1-NZ 3.5Å; D364-K796 WeakPolarHBondContact OD2-CE 3.44Å; D364-K796 IonicContact OD2-NZ 2.76Å; D364-K796 PolarHBondContact OD2-NZ 2.94Å; K796-Q800 WeakPolarHBondContact O-CB 3.41Å; K796-Q800 PolarHBondContact O-N 2.67Å; K796-Q800 VanDerWaalsContact O-N 3.09Å
797	V	53.8	Low	61.5	Low	79 Å²	79	88 Å²	88	48%	0.479	40%	0.403	S	S	.	.	I	π-helix	trans	-80.9	-37.9	-173.3	-178.7	0	0	0	0	111.2	E793 N801	E793-V797 WeakPolarHBondContact O-CA 3.44Å; E793-V797 VanDerWaalsContact O-CB 3.22Å; E793-V797 WeakPolarHBondContact O-CB 3.31Å; E793-V797 PolarHBondContact O-N 3.19Å; V797-N801 WeakPolarHBondContact CG1-ND2 3.24Å; V797-N801 WeakPolarHBondContact O-CB 3.38Å; V797-N801 VanDerWaalsContact O-CG 3.27Å; V797-N801 PolarHBondContact O-N 3.48Å; V797-N801 PolarHBondContact O-ND2 3.34Å
798	K	56	Low	62	Low	101 Å²	101	83 Å²	83	44%	0.439	39%	0.392	S	S	.	.	I	π-helix	trans	-68.3	-42.4	175.8	-134.3	178.6	-169.7	174.8	0	110.9	E794 N801 E802	E794-K798 HydrophobicContact CB-CD 4.2Å; E794-K798 HydrophobicContact CG-CD 4.07Å; E794-K798 WeakPolarHBondContact O-CB 3.45Å; E794-K798 PolarHBondContact O-N 3.27Å; E794-K798 IonicContact OE1-NZ 2.84Å; E794-K798 PolarHBondContact OE1-NZ 3.33Å; K798-N801 PolarHBondContact O-N 3.1Å; K798-E802 VanDerWaalsContact O-CB 3.24Å; K798-E802 WeakPolarHBondContact O-CB 3.43Å; K798-E802 VanDerWaalsContact O-CG 3.25Å; K798-E802 WeakPolarHBondContact O-CG 2.97Å; K798-E802 PolarHBondContact O-N 3.27Å
799	R	56.6	Low	62.6	Low	100 Å²	100	85.1 Å²	85.1	38%	0.377	40%	0.401	S	S	.	.	H	α-helix	trans	-63.6	-45.6	176	-159.6	-173.6	-64.1	-174.3	0.5	112	E795 E802 I803	E795-R799 WeakPolarHBondContact O-CB 3.29Å; E795-R799 PolarHBondContact O-NE 2.99Å; R799-E802 PolarHBondContact O-N 2.9Å; R799-I803 HydrophobicContact CG-CD1 4.22Å; R799-I803 WeakPolarHBondContact O-CB 3.36Å; R799-I803 WeakPolarHBondContact O-CD1 3.19Å; R799-I803 WeakPolarHBondContact O-CG1 3.41Å; R799-I803 PolarHBondContact O-N 3.06Å
800	Q	54.1	Low	63.3	Low	139 Å²	139	87.1 Å²	87.1	65%	0.65	41%	0.41	S	S	*	.	H	α-helix	trans	-65.3	-40.8	174	-82.8	-168.6	-10.7	0	0	112.8	K796 A804	K796-Q800 WeakPolarHBondContact O-CB 3.41Å; K796-Q800 PolarHBondContact O-N 2.67Å; K796-Q800 VanDerWaalsContact O-N 3.09Å; Q800-A804 WeakPolarHBondContact O-CB 3.37Å; Q800-A804 PolarHBondContact O-N 3.22Å
801	N	56.8	Low	63.6	Low	100 Å²	100	88.1 Å²	88.1	54%	0.535	42%	0.416	S	S	.	.	H	α-helix	trans	-70.6	-34.5	177.7	-79.2	-25	0	0	0	112.7	V797 K798 K805	V797-N801 WeakPolarHBondContact CG1-ND2 3.24Å; V797-N801 WeakPolarHBondContact O-CB 3.38Å; V797-N801 VanDerWaalsContact O-CG 3.27Å; V797-N801 PolarHBondContact O-N 3.48Å; V797-N801 PolarHBondContact O-ND2 3.34Å; K798-N801 PolarHBondContact O-N 3.1Å; N801-K805 WeakPolarHBondContact O-CA 3.49Å; N801-K805 WeakPolarHBondContact O-CB 3.34Å; N801-K805 PolarHBondContact O-N 3.27Å
802	E	62.5	Low	64.4	Low	117 Å²	117	88.8 Å²	88.8	55%	0.547	43%	0.425	S	S	.	.	H	α-helix	trans	-70.2	-41.3	175.6	-78.2	178	-179	0	0	111.4	K798 R799 K805 K806	K798-E802 VanDerWaalsContact O-CB 3.24Å; K798-E802 WeakPolarHBondContact O-CB 3.43Å; K798-E802 VanDerWaalsContact O-CG 3.25Å; K798-E802 WeakPolarHBondContact O-CG 2.97Å; K798-E802 PolarHBondContact O-N 3.27Å; R799-E802 PolarHBondContact O-N 2.9Å; E802-K805 PolarHBondContact O-N 2.95Å; E802-K806 WeakPolarHBondContact O-CB 3.34Å; E802-K806 PolarHBondContact O-N 2.68Å
803	I	65.3	Low	65.4	Low	36 Å²	36	90.4 Å²	90.4	19%	0.185	43%	0.434	C	S	.	.	H	α-helix	trans	-64.1	-46.4	172.2	-65.4	165.3	0	0	0	110.2	M354 R799 K806 R807	M354-I803 HydrophobicContact CE-CD1 3.43Å; M354-I803 VanDerWaalsContact CE-CD1 3.43Å; M354-I803 HydrophobicContact CE-CG1 3.68Å; M354-I803 HydrophobicContact CG-CD1 4.5Å; M354-I803 HydrophobicContact CG-CG1 4.34Å; M354-I803 HydrophobicContact SD-CG1 4.39Å; R799-I803 HydrophobicContact CG-CD1 4.22Å; R799-I803 WeakPolarHBondContact O-CB 3.36Å; R799-I803 WeakPolarHBondContact O-CD1 3.19Å; R799-I803 WeakPolarHBondContact O-CG1 3.41Å; R799-I803 PolarHBondContact O-N 3.06Å; I803-K806 PolarHBondContact O-N 3.26Å; I803-R807 VanDerWaalsContact O-CB 3.3Å; I803-R807 WeakPolarHBondContact O-CB 3.45Å; I803-R807 WeakPolarHBondContact O-CG 3.37Å; I803-R807 PolarHBondContact O-N 2.76Å
804	A	63.9	Low	66.4	Low	52 Å²	52	91.2 Å²	91.2	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-38.4	178.8	0	0	0	0	0	112.1	Q800 R807 L808	Q800-A804 WeakPolarHBondContact O-CB 3.37Å; Q800-A804 PolarHBondContact O-N 3.22Å; A804-R807 PolarHBondContact O-N 3.26Å; A804-L808 VanDerWaalsContact O-CB 3.24Å; A804-L808 WeakPolarHBondContact O-CB 3.26Å; A804-L808 PolarHBondContact O-N 2.81Å
805	K	71.3	Confident	67.4	Low	134 Å²	134	90.7 Å²	90.7	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-68.6	-45.3	176.9	-173.5	179.4	178.1	-174	0	111.2	N801 E802 L808 E809	N801-K805 WeakPolarHBondContact O-CA 3.49Å; N801-K805 WeakPolarHBondContact O-CB 3.34Å; N801-K805 PolarHBondContact O-N 3.27Å; E802-K805 PolarHBondContact O-N 2.95Å; K805-L808 PolarHBondContact O-N 2.85Å; K805-E809 WeakPolarHBondContact CE-OE1 3.48Å; K805-E809 WeakPolarHBondContact O-CB 3.46Å; K805-E809 VanDerWaalsContact O-CG 3.29Å; K805-E809 WeakPolarHBondContact O-CG 3.26Å; K805-E809 PolarHBondContact O-N 2.92Å
806	K	73.3	Confident	68.8	Low	105 Å²	105	92 Å²	92	46%	0.457	44%	0.439	S	S	.	.	H	α-helix	trans	-64.1	-40.4	173.4	-83.6	-167.7	174.5	-179.7	0	112.3	F350 E802 I803 E809 F810	F350-K806 HydrophobicContact CD2-CD 4.48Å; F350-K806 HydrophobicContact CE1-CB 3.96Å; F350-K806 HydrophobicContact CE1-CD 4.38Å; F350-K806 HydrophobicContact CE2-CD 3.68Å; F350-K806 HydrophobicContact CZ-CB 3.93Å; F350-K806 HydrophobicContact CZ-CD 3.62Å; F350-K806 HydrophobicContact CZ-CG 4.41Å; E802-K806 WeakPolarHBondContact O-CB 3.34Å; E802-K806 PolarHBondContact O-N 2.68Å; I803-K806 PolarHBondContact O-N 3.26Å; K806-E809 PolarHBondContact O-N 3.3Å; K806-F810 WeakPolarHBondContact O-CD2 3.4Å; K806-F810 PolarHBondContact O-N 3.17Å
807	R	68.6	Low	70.2	Confident	107 Å²	107	88.7 Å²	88.7	40%	0.404	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-46.3	172.5	-82.6	-177.8	170.1	170.2	3.8	111.3	E351 I803 A804 E809 F810 E811	E351-R807 IonicContact OE1-CZ 3.84Å; E351-R807 IonicContact OE1-NE 2.81Å; E351-R807 PolarHBondContact OE1-NE 2.86Å; E351-R807 IonicContact OE1-NH2 3.91Å; I803-R807 VanDerWaalsContact O-CB 3.3Å; I803-R807 WeakPolarHBondContact O-CB 3.45Å; I803-R807 WeakPolarHBondContact O-CG 3.37Å; I803-R807 PolarHBondContact O-N 2.76Å; A804-R807 PolarHBondContact O-N 3.26Å; R807-E809 VanDerWaalsContact C-N 3.35Å; R807-F810 PolarHBondContact O-N 2.71Å; R807-E811 WeakPolarHBondContact O-CB 3.23Å; R807-E811 PolarHBondContact O-N 3.06Å
808	L	72.5	Confident	71.4	Confident	116 Å²	116	85.8 Å²	85.8	61%	0.607	41%	0.412	S	S	*	.	H	α-helix	trans	-65.7	-36.6	177.5	-173.4	66.6	0	0	0	112.1	A804 K805 E811 T812	A804-L808 VanDerWaalsContact O-CB 3.24Å; A804-L808 WeakPolarHBondContact O-CB 3.26Å; A804-L808 PolarHBondContact O-N 2.81Å; K805-L808 PolarHBondContact O-N 2.85Å; L808-E811 PolarHBondContact O-N 3.47Å; L808-T812 VanDerWaalsContact O-CB 3.24Å; L808-T812 WeakPolarHBondContact O-CB 3.24Å; L808-T812 PolarHBondContact O-N 3.1Å; L808-T812 PolarHBondContact O-OG1 3.42Å
809	E	77.9	Confident	72.6	Confident	92 Å²	92	86.4 Å²	86.4	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-47.3	174.9	-78.3	171	-169.3	0	0	111.3	K805 K806 R807 E811 T812 Q813	K805-E809 WeakPolarHBondContact CE-OE1 3.48Å; K805-E809 WeakPolarHBondContact O-CB 3.46Å; K805-E809 VanDerWaalsContact O-CG 3.29Å; K805-E809 WeakPolarHBondContact O-CG 3.26Å; K805-E809 PolarHBondContact O-N 2.92Å; K806-E809 PolarHBondContact O-N 3.3Å; R807-E809 VanDerWaalsContact C-N 3.35Å; E809-E811 VanDerWaalsContact C-N 3.34Å; E809-E811 PolarHBondContact O-N 3.5Å; E809-T812 PolarHBondContact O-N 3.29Å; E809-Q813 WeakPolarHBondContact O-CB 3.42Å; E809-Q813 VanDerWaalsContact O-CG 3.29Å; E809-Q813 WeakPolarHBondContact O-CG 3.38Å; E809-Q813 PolarHBondContact O-N 2.7Å
810	F	80.2	Confident	73.8	Confident	43 Å²	43	85.8 Å²	85.8	19%	0.189	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-40.9	173.7	-71.7	-53.7	0	0	0	111.9	V343 A346 K347 F350 K806 R807 Q813 K814	V343-F810 HydrophobicContact CG1-CD1 4.14Å; A346-F810 HydrophobicContact CB-CE1 4.45Å; K347-F810 HydrophobicContact CB-CB 4.33Å; K347-F810 HydrophobicContact CB-CD2 4.37Å; K347-F810 HydrophobicContact CB-CG 4.27Å; K347-F810 HydrophobicContact CD-CB 4.35Å; K347-F810 HydrophobicContact CG-CB 4.28Å; K347-F810 HydrophobicContact CG-CD2 4.4Å; K347-F810 HydrophobicContact CG-CG 4.5Å; F350-F810 HydrophobicContact CB-CE2 4.26Å; F350-F810 HydrophobicContact CD1-CE2 4.15Å; F350-F810 HydrophobicContact CG-CE2 4.17Å; K806-F810 WeakPolarHBondContact O-CD2 3.4Å; K806-F810 PolarHBondContact O-N 3.17Å; R807-F810 PolarHBondContact O-N 2.71Å; F810-Q813 PolarHBondContact O-N 2.97Å; F810-K814 VanDerWaalsContact O-CB 3.28Å; F810-K814 WeakPolarHBondContact O-CB 3.5Å; F810-K814 PolarHBondContact O-N 3.03Å
811	E	74.5	Confident	75.2	Confident	68 Å²	68	79.8 Å²	79.8	32%	0.318	39%	0.392	S	S	.	.	H	α-helix	trans	-71	-35	179.9	-130.1	63.4	169.7	0	0	112.8	K347 R807 L808 E809 T815	K347-E811 WeakPolarHBondContact CE-OE2 3.47Å; K347-E811 IonicContact NZ-OE1 2.73Å; K347-E811 PolarHBondContact NZ-OE1 2.87Å; K347-E811 IonicContact NZ-OE2 2.74Å; K347-E811 PolarHBondContact NZ-OE2 3.35Å; R807-E811 WeakPolarHBondContact O-CB 3.23Å; R807-E811 PolarHBondContact O-N 3.06Å; L808-E811 PolarHBondContact O-N 3.47Å; E809-E811 VanDerWaalsContact C-N 3.34Å; E809-E811 PolarHBondContact O-N 3.5Å; E811-T815 VanDerWaalsContact O-CB 3.3Å; E811-T815 WeakPolarHBondContact O-CB 3.45Å; E811-T815 PolarHBondContact O-N 3.37Å; E811-T815 PolarHBondContact O-OG1 3.43Å
812	T	78.4	Confident	76.4	Confident	84 Å²	84	79.4 Å²	79.4	52%	0.515	39%	0.391	S	S	.	.	H	α-helix	trans	-69.2	-42.1	174.6	-55.4	0	0	0	0	110.5	L808 E809 T815 R816	L808-T812 VanDerWaalsContact O-CB 3.24Å; L808-T812 WeakPolarHBondContact O-CB 3.24Å; L808-T812 PolarHBondContact O-N 3.1Å; L808-T812 PolarHBondContact O-OG1 3.42Å; E809-T812 PolarHBondContact O-N 3.29Å; T812-T815 PolarHBondContact O-N 3.31Å; T812-R816 WeakPolarHBondContact O-CB 3.37Å; T812-R816 PolarHBondContact O-N 2.98Å
813	Q	81	Confident	77.4	Confident	82 Å²	82	80.4 Å²	80.4	38%	0.383	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-44.5	174.6	-75.4	-178.6	5	0	0	111.6	V343 E809 F810 R816 L817	V343-Q813 HydrophobicContact CG1-CB 4.46Å; E809-Q813 WeakPolarHBondContact O-CB 3.42Å; E809-Q813 VanDerWaalsContact O-CG 3.29Å; E809-Q813 WeakPolarHBondContact O-CG 3.38Å; E809-Q813 PolarHBondContact O-N 2.7Å; F810-Q813 PolarHBondContact O-N 2.97Å; Q813-R816 PolarHBondContact O-N 3.19Å; Q813-L817 WeakPolarHBondContact O-CB 3.47Å; Q813-L817 WeakPolarHBondContact O-CG 3.09Å; Q813-L817 PolarHBondContact O-N 2.83Å
814	K	81.2	Confident	78.2	Confident	63 Å²	63	80.8 Å²	80.8	27%	0.274	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-46	175.3	-178	177.9	175.9	179.8	0	111.8	E344 F810 R816 L817 G818	E344-K814 WeakPolarHBondContact OE1-CE 3.42Å; E344-K814 IonicContact OE1-NZ 3.56Å; E344-K814 PolarHBondContact OE1-NZ 2.91Å; E344-K814 IonicContact OE2-NZ 2.85Å; F810-K814 VanDerWaalsContact O-CB 3.28Å; F810-K814 WeakPolarHBondContact O-CB 3.5Å; F810-K814 PolarHBondContact O-N 3.03Å; K814-R816 PolarHBondContact O-N 3.3Å; K814-L817 PolarHBondContact O-N 3.3Å; K814-G818 PolarHBondContact O-N 3.5Å
815	T	77.3	Confident	79.1	Confident	81 Å²	81	84.2 Å²	84.2	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-41	178.8	-55.6	0	0	0	0	111.3	E811 T812 G818 I819	E811-T815 VanDerWaalsContact O-CB 3.3Å; E811-T815 WeakPolarHBondContact O-CB 3.45Å; E811-T815 PolarHBondContact O-N 3.37Å; E811-T815 PolarHBondContact O-OG1 3.43Å; T812-T815 PolarHBondContact O-N 3.31Å; T815-G818 PolarHBondContact O-N 3.41Å; T815-I819 HydrophobicContact CG2-CD1 4.1Å; T815-I819 VanDerWaalsContact O-CG1 3.31Å; T815-I819 WeakPolarHBondContact O-CG1 3.42Å; T815-I819 PolarHBondContact O-N 3.03Å
816	R	84.3	Confident	79.6	Confident	152 Å²	152	82.8 Å²	82.8	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-49.1	176.6	-173.4	-176.3	73.6	-179.6	1.9	111.9	T812 Q813 K814 G818 I819 Q820	T812-R816 WeakPolarHBondContact O-CB 3.37Å; T812-R816 PolarHBondContact O-N 2.98Å; Q813-R816 PolarHBondContact O-N 3.19Å; K814-R816 PolarHBondContact O-N 3.3Å; R816-G818 VanDerWaalsContact C-N 3.32Å; R816-I819 PolarHBondContact O-N 3.39Å; R816-Q820 WeakPolarHBondContact O-CG 3.41Å; R816-Q820 PolarHBondContact O-N 3.19Å; R816-Q820 VanDerWaalsContact O-N 3.1Å
817	L	84.1	Confident	80	Confident	11 Å²	11	79.5 Å²	79.5	6%	0.058	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-39.5	177	-72.6	171.9	0	0	0	110.8	L336 E339 V343 Q813 K814 Q820 V821	L336-L817 HydrophobicContact CD2-CD2 4Å; E339-L817 HydrophobicContact CB-CD1 4.49Å; V343-L817 HydrophobicContact CG2-CD1 4.19Å; Q813-L817 WeakPolarHBondContact O-CB 3.47Å; Q813-L817 WeakPolarHBondContact O-CG 3.09Å; Q813-L817 PolarHBondContact O-N 2.83Å; K814-L817 PolarHBondContact O-N 3.3Å; L817-Q820 PolarHBondContact O-N 3.22Å; L817-V821 WeakPolarHBondContact O-CB 3.19Å; L817-V821 VanDerWaalsContact O-CG2 3.3Å; L817-V821 WeakPolarHBondContact O-CG2 3.28Å; L817-V821 PolarHBondContact O-N 3.49Å
818	G	79.6	Confident	80.9	Confident	19 Å²	19	75.3 Å²	75.3	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-45.9	175.7	0	0	0	0	0	113.2	K814 T815 R816 Q820 V821 D822	K814-G818 PolarHBondContact O-N 3.5Å; T815-G818 PolarHBondContact O-N 3.41Å; R816-G818 VanDerWaalsContact C-N 3.32Å; G818-Q820 VanDerWaalsContact C-N 3.31Å; G818-Q820 PolarHBondContact O-N 3.17Å; G818-V821 PolarHBondContact O-N 3.25Å; G818-D822 WeakPolarHBondContact O-CB 3.41Å; G818-D822 PolarHBondContact O-N 2.88Å
819	I	82.1	Confident	81.5	Confident	113 Å²	113	75.7 Å²	75.7	58%	0.579	36%	0.364	S	S	*	.	H	α-helix	trans	-62.5	-39.7	175	-67.9	166	0	0	0	111	T815 R816 Y823	T815-I819 HydrophobicContact CG2-CD1 4.1Å; T815-I819 VanDerWaalsContact O-CG1 3.31Å; T815-I819 WeakPolarHBondContact O-CG1 3.42Å; T815-I819 PolarHBondContact O-N 3.03Å; R816-I819 PolarHBondContact O-N 3.39Å; I819-Y823 WeakPolarHBondContact O-CB 3.5Å; I819-Y823 PolarHBondContact O-N 2.92Å
820	Q	81.4	Confident	81.8	Confident	88 Å²	88	75.5 Å²	75.5	41%	0.411	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-42	176.6	-76.1	179.3	-43.1	0	0	112.2	R816 L817 G818 Y823 E824	R816-Q820 WeakPolarHBondContact O-CG 3.41Å; R816-Q820 PolarHBondContact O-N 3.19Å; R816-Q820 VanDerWaalsContact O-N 3.1Å; L817-Q820 PolarHBondContact O-N 3.22Å; G818-Q820 VanDerWaalsContact C-N 3.31Å; G818-Q820 PolarHBondContact O-N 3.17Å; Q820-Y823 PolarHBondContact O-N 2.9Å; Q820-E824 PolarHBondContact O-N 2.93Å
821	V	82.9	Confident	82.1	Confident	12 Å²	12	74 Å²	74	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-45.3	175.1	169.1	0	0	0	0	110.5	L336 L817 G818 Y823 E824 K825	L336-V821 HydrophobicContact CB-CG2 3.78Å; L817-V821 WeakPolarHBondContact O-CB 3.19Å; L817-V821 VanDerWaalsContact O-CG2 3.3Å; L817-V821 WeakPolarHBondContact O-CG2 3.28Å; L817-V821 PolarHBondContact O-N 3.49Å; G818-V821 PolarHBondContact O-N 3.25Å; V821-Y823 VanDerWaalsContact C-N 3.34Å; V821-Y823 PolarHBondContact O-N 3.18Å; V821-E824 PolarHBondContact O-N 3.2Å; V821-K825 WeakPolarHBondContact O-CB 3.34Å; V821-K825 PolarHBondContact O-N 3.36Å
822	D	81.9	Confident	82.8	Confident	93 Å²	93	75.7 Å²	75.7	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-38	178.1	-80.8	-22.7	0	0	0	112.4	G818 K825 N826	G818-D822 WeakPolarHBondContact O-CB 3.41Å; G818-D822 PolarHBondContact O-N 2.88Å; D822-K825 PolarHBondContact O-N 3.39Å; D822-N826 PolarHBondContact O-N 3.22Å; D822-N826 PolarHBondContact O-ND2 2.76Å
823	Y	83.9	Confident	83.2	Confident	138 Å²	138	77.3 Å²	77.3	54%	0.541	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-51.5	173.3	177.7	-96.8	0	0	0	111.9	I819 Q820 V821 K825 N826 Q827	I819-Y823 WeakPolarHBondContact O-CB 3.5Å; I819-Y823 PolarHBondContact O-N 2.92Å; Q820-Y823 PolarHBondContact O-N 2.9Å; V821-Y823 VanDerWaalsContact C-N 3.34Å; V821-Y823 PolarHBondContact O-N 3.18Å; Y823-K825 VanDerWaalsContact C-N 3.27Å; Y823-K825 PolarHBondContact O-N 2.99Å; Y823-N826 PolarHBondContact O-N 3.31Å; Y823-Q827 HydrophobicContact CD1-CG 4.42Å; Y823-Q827 HydrophobicContact CE1-CG 4.01Å; Y823-Q827 HydrophobicContact CE2-CG 4.43Å; Y823-Q827 WeakPolarHBondContact O-CG 3.48Å; Y823-Q827 PolarHBondContact O-N 3.37Å
824	E	82.1	Confident	83.4	Confident	44 Å²	44	77.8 Å²	77.8	21%	0.206	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-32.6	178.2	-72.7	-58.7	154.7	0	0	111.9	L336 Q820 V821 Q827 L828	L336-E824 HydrophobicContact CD1-CG 4.25Å; Q820-E824 PolarHBondContact O-N 2.93Å; V821-E824 PolarHBondContact O-N 3.2Å; E824-Q827 PolarHBondContact O-N 3.34Å; E824-L828 WeakPolarHBondContact O-CB 3.48Å; E824-L828 PolarHBondContact O-N 2.99Å
825	K	81.9	Confident	83.9	Confident	123 Å²	123	75.7 Å²	75.7	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-67.3	-41.4	176.1	-169.8	176.3	-174.9	177.1	0	112.4	V821 D822 Y823 L828 K829	V821-K825 WeakPolarHBondContact O-CB 3.34Å; V821-K825 PolarHBondContact O-N 3.36Å; D822-K825 PolarHBondContact O-N 3.39Å; Y823-K825 VanDerWaalsContact C-N 3.27Å; Y823-K825 PolarHBondContact O-N 2.99Å; K825-L828 PolarHBondContact O-N 3.31Å; K825-K829 PolarHBondContact O-N 3.04Å; K825-K829 VanDerWaalsContact O-N 3.08Å
826	N	82.9	Confident	84.4	Confident	105 Å²	105	77.3 Å²	77.3	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-65.7	-43	173.5	-75.8	-32.2	0	0	0	111.4	D822 Y823 K829 E830	D822-N826 PolarHBondContact O-N 3.22Å; D822-N826 PolarHBondContact O-ND2 2.76Å; Y823-N826 PolarHBondContact O-N 3.31Å; N826-K829 WeakPolarHBondContact O-CB 3.16Å; N826-K829 PolarHBondContact O-N 3.24Å; N826-E830 PolarHBondContact O-N 3.18Å; N826-E830 VanDerWaalsContact O-N 3.14Å
827	Q	82.3	Confident	84.7	Confident	36 Å²	36	75.4 Å²	75.4	17%	0.168	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-39	175.5	-76	-67.2	-51.3	0	0	113	Y823 E824 K829 E830 D831	Y823-Q827 HydrophobicContact CD1-CG 4.42Å; Y823-Q827 HydrophobicContact CE1-CG 4.01Å; Y823-Q827 HydrophobicContact CE2-CG 4.43Å; Y823-Q827 WeakPolarHBondContact O-CG 3.48Å; Y823-Q827 PolarHBondContact O-N 3.37Å; E824-Q827 PolarHBondContact O-N 3.34Å; Q827-K829 VanDerWaalsContact C-N 3.29Å; Q827-K829 PolarHBondContact O-N 3.12Å; Q827-E830 PolarHBondContact NE2-OE2 3.31Å; Q827-E830 PolarHBondContact O-N 3.46Å; Q827-D831 PolarHBondContact O-N 2.89Å
828	L	86.1	Confident	85	Confident	18 Å²	18	78.9 Å²	78.9	9%	0.094	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-37.3	176.1	-172.1	70.8	0	0	0	111.2	Y326 R329 K330 M333 E824 K825 D831 Q832	Y326-L828 HydrophobicContact CD2-CD1 3.52Å; Y326-L828 HydrophobicContact CD2-CG 4.09Å; Y326-L828 HydrophobicContact CE2-CD1 3.61Å; Y326-L828 HydrophobicContact CE2-CD2 4.42Å; Y326-L828 HydrophobicContact CE2-CG 3.77Å; Y326-L828 HydrophobicContact CG-CD1 4.28Å; Y326-L828 WeakPolarHBondContact O-CD1 3.4Å; R329-L828 HydrophobicContact CB-CD1 3.91Å; K330-L828 HydrophobicContact CB-CD1 3.96Å; K330-L828 HydrophobicContact CB-CD2 4.36Å; K330-L828 HydrophobicContact CG-CD2 4.41Å; M333-L828 HydrophobicContact SD-CD2 4.43Å; E824-L828 WeakPolarHBondContact O-CB 3.48Å; E824-L828 PolarHBondContact O-N 2.99Å; K825-L828 PolarHBondContact O-N 3.31Å; L828-D831 PolarHBondContact O-N 3.15Å; L828-Q832 WeakPolarHBondContact O-CB 3.37Å; L828-Q832 PolarHBondContact O-N 3.08Å
829	K	85.5	Confident	85.5	Confident	124 Å²	124	81.7 Å²	81.7	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-44.4	174.7	-169	-179.2	176.5	-174.9	0	111.7	K825 N826 Q827 D831 Q832 E833	K825-K829 PolarHBondContact O-N 3.04Å; K825-K829 VanDerWaalsContact O-N 3.08Å; N826-K829 WeakPolarHBondContact O-CB 3.16Å; N826-K829 PolarHBondContact O-N 3.24Å; Q827-K829 VanDerWaalsContact C-N 3.29Å; Q827-K829 PolarHBondContact O-N 3.12Å; K829-D831 VanDerWaalsContact C-N 3.35Å; K829-D831 PolarHBondContact O-N 3.18Å; K829-Q832 WeakPolarHBondContact O-CB 3.19Å; K829-Q832 PolarHBondContact O-N 3.37Å; K829-E833 WeakPolarHBondContact O-CG 3.43Å; K829-E833 PolarHBondContact O-N 2.71Å
830	E	84.3	Confident	85.8	Confident	89 Å²	89	82 Å²	82	42%	0.416	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-42.3	173.7	-69.6	179.8	-173.6	0	0	112.1	N826 Q827 Q832 E833 K834	N826-E830 PolarHBondContact O-N 3.18Å; N826-E830 VanDerWaalsContact O-N 3.14Å; Q827-E830 PolarHBondContact NE2-OE2 3.31Å; Q827-E830 PolarHBondContact O-N 3.46Å; E830-Q832 VanDerWaalsContact C-N 3.33Å; E830-E833 PolarHBondContact O-N 3.04Å; E830-K834 WeakPolarHBondContact O-CG 3.4Å; E830-K834 PolarHBondContact O-N 3.42Å
831	D	86.2	Confident	86.2	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-68.9	-32.8	177.6	-77.1	-7	0	0	0	111.9	R329 Q827 L828 K829 K834 V835	R329-D831 IonicContact CZ-OD2 3.47Å; R329-D831 IonicContact NE-OD2 2.9Å; R329-D831 PolarHBondContact NE-OD2 3.07Å; R329-D831 IonicContact NH2-OD1 2.73Å; R329-D831 IonicContact NH2-OD2 2.81Å; R329-D831 PolarHBondContact NH2-OD2 3.22Å; Q827-D831 PolarHBondContact O-N 2.89Å; L828-D831 PolarHBondContact O-N 3.15Å; K829-D831 VanDerWaalsContact C-N 3.35Å; K829-D831 PolarHBondContact O-N 3.18Å; D831-K834 PolarHBondContact O-N 3.33Å; D831-K834 IonicContact OD1-NZ 3.2Å; D831-K834 PolarHBondContact OD1-NZ 2.91Å; D831-V835 VanDerWaalsContact O-CG2 3.29Å; D831-V835 WeakPolarHBondContact O-CG2 3.2Å; D831-V835 PolarHBondContact O-N 2.97Å
832	Q	88.6	Confident	86.5	Confident	104 Å²	104	80 Å²	80	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-44.6	172.1	-170.8	177.7	-1.3	0	0	111.9	Y326 L828 K829 E830 K834 V835 M836	Y326-Q832 HydrophobicContact CD2-CB 4.08Å; Y326-Q832 HydrophobicContact CE2-CB 3.77Å; Y326-Q832 HydrophobicContact CE2-CG 4.1Å; L828-Q832 WeakPolarHBondContact O-CB 3.37Å; L828-Q832 PolarHBondContact O-N 3.08Å; K829-Q832 WeakPolarHBondContact O-CB 3.19Å; K829-Q832 PolarHBondContact O-N 3.37Å; E830-Q832 VanDerWaalsContact C-N 3.33Å; Q832-K834 VanDerWaalsContact C-N 3.33Å; Q832-K834 PolarHBondContact O-N 2.9Å; Q832-V835 PolarHBondContact O-N 3.47Å; Q832-M836 WeakPolarHBondContact O-CB 3.19Å; Q832-M836 PolarHBondContact O-N 3.03Å
833	E	86.9	Confident	87	Confident	119 Å²	119	81.5 Å²	81.5	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-61.8	-41.5	175.5	-73.1	175.5	-174.8	0	0	111.3	K829 E830 M836 M837	K829-E833 WeakPolarHBondContact O-CG 3.43Å; K829-E833 PolarHBondContact O-N 2.71Å; E830-E833 PolarHBondContact O-N 3.04Å; E833-M836 PolarHBondContact O-N 3.34Å; E833-M837 WeakPolarHBondContact O-CB 3.34Å; E833-M837 PolarHBondContact O-N 3.4Å
834	K	86.6	Confident	87.2	Confident	92 Å²	92	82.1 Å²	82.1	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-44.7	173.3	-71.9	167.5	-168.6	151	0	112	E830 D831 Q832 M836 M837 W838	E830-K834 WeakPolarHBondContact O-CG 3.4Å; E830-K834 PolarHBondContact O-N 3.42Å; D831-K834 PolarHBondContact O-N 3.33Å; D831-K834 IonicContact OD1-NZ 3.2Å; D831-K834 PolarHBondContact OD1-NZ 2.91Å; Q832-K834 VanDerWaalsContact C-N 3.33Å; Q832-K834 PolarHBondContact O-N 2.9Å; K834-M836 VanDerWaalsContact C-N 3.33Å; K834-M836 PolarHBondContact O-N 3.32Å; K834-M837 PolarHBondContact O-N 3.03Å; K834-W838 PolarHBondContact O-N 3.11Å
835	V	90.3	Very high	87.5	Confident	19 Å²	19	80.5 Å²	80.5	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-46.4	176.6	169	0	0	0	0	110.6	H319 A322 D831 Q832 W838 E839	H319-V835 PolarHBondContact ND1-O 3.35Å; A322-V835 HydrophobicContact CB-CG2 3.79Å; D831-V835 VanDerWaalsContact O-CG2 3.29Å; D831-V835 WeakPolarHBondContact O-CG2 3.2Å; D831-V835 PolarHBondContact O-N 2.97Å; Q832-V835 PolarHBondContact O-N 3.47Å; V835-W838 PolarHBondContact O-N 3.41Å; V835-E839 WeakPolarHBondContact O-CB 3.45Å; V835-E839 PolarHBondContact O-N 3.11Å
836	M	89.1	Confident	87.9	Confident	115 Å²	115	78.3 Å²	78.3	57%	0.567	37%	0.367	S	S	*	.	H	α-helix	trans	-65.1	-42.1	-179.7	-164.3	178.5	-172.2	0	0	112.2	Q832 E833 K834 E839 Q840	Q832-M836 WeakPolarHBondContact O-CB 3.19Å; Q832-M836 PolarHBondContact O-N 3.03Å; E833-M836 PolarHBondContact O-N 3.34Å; K834-M836 VanDerWaalsContact C-N 3.33Å; K834-M836 PolarHBondContact O-N 3.32Å; M836-E839 PolarHBondContact O-N 3.2Å; M836-Q840 WeakPolarHBondContact O-CG 3.37Å; M836-Q840 PolarHBondContact O-N 3.01Å
837	M	90.8	Very high	88.2	Confident	112 Å²	112	76.5 Å²	76.5	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-59.1	-48.1	174.7	-179	-164.7	176.8	0	0	111.7	E833 K834 Q840 T841	E833-M837 WeakPolarHBondContact O-CB 3.34Å; E833-M837 PolarHBondContact O-N 3.4Å; K834-M837 PolarHBondContact O-N 3.03Å; M837-Q840 PolarHBondContact O-N 2.55Å; M837-T841 WeakPolarHBondContact O-CB 3.29Å; M837-T841 PolarHBondContact O-N 3.11Å; M837-T841 PolarHBondContact O-OG1 3.12Å
838	W	88.9	Confident	88.4	Confident	84 Å²	84	77.4 Å²	77.4	32%	0.318	37%	0.371	S	S	.	.	H	α-helix	trans	-69	-35.1	179.2	-74.2	118.5	0	0	0	112.2	A315 H319 K834 V835 T841 V842	A315-W838 HydrophobicContact CB-CE3 4.44Å; A315-W838 HydrophobicContact CB-CZ3 4.49Å; H319-W838 HydrophobicContact CB-CB 3.91Å; K834-W838 PolarHBondContact O-N 3.11Å; V835-W838 PolarHBondContact O-N 3.41Å; W838-T841 HydrophobicContact CE3-CG2 4.32Å; W838-T841 HydrophobicContact CZ3-CG2 4.35Å; W838-T841 PolarHBondContact O-N 3.13Å; W838-V842 WeakPolarHBondContact O-CB 3.46Å; W838-V842 VanDerWaalsContact O-CG2 3.3Å; W838-V842 WeakPolarHBondContact O-CG2 3.48Å; W838-V842 PolarHBondContact O-N 3.25Å
839	E	90.8	Very high	88.6	Confident	78 Å²	78	77 Å²	77	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-44.2	174.5	-163.9	-172.2	152.3	0	0	111.8	V835 M836 T841 V842 K843	V835-E839 WeakPolarHBondContact O-CB 3.45Å; V835-E839 PolarHBondContact O-N 3.11Å; M836-E839 PolarHBondContact O-N 3.2Å; E839-T841 VanDerWaalsContact C-N 3.32Å; E839-T841 PolarHBondContact O-N 2.98Å; E839-V842 PolarHBondContact O-N 3.28Å; E839-K843 PolarHBondContact O-N 3Å; E839-K843 WeakPolarHBondContact OE1-CE 3.39Å; E839-K843 IonicContact OE1-NZ 2.83Å; E839-K843 PolarHBondContact OE1-NZ 3.45Å
840	Q	89.4	Confident	88.8	Confident	120 Å²	120	75.8 Å²	75.8	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-63.2	-39.7	174.6	-72.8	178.1	-1.9	0	0	111.8	M836 M837 K843 K844	M836-Q840 WeakPolarHBondContact O-CG 3.37Å; M836-Q840 PolarHBondContact O-N 3.01Å; M837-Q840 PolarHBondContact O-N 2.55Å; Q840-K843 PolarHBondContact O-N 3.18Å; Q840-K844 WeakPolarHBondContact O-CB 3.36Å; Q840-K844 PolarHBondContact O-N 3.22Å
841	T	88.1	Confident	89.1	Confident	42 Å²	42	78.3 Å²	78.3	26%	0.258	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-44.8	177.3	-56.7	0	0	0	0	111.3	M837 W838 E839 K844 D845	M837-T841 WeakPolarHBondContact O-CB 3.29Å; M837-T841 PolarHBondContact O-N 3.11Å; M837-T841 PolarHBondContact O-OG1 3.12Å; W838-T841 HydrophobicContact CE3-CG2 4.32Å; W838-T841 HydrophobicContact CZ3-CG2 4.35Å; W838-T841 PolarHBondContact O-N 3.13Å; E839-T841 VanDerWaalsContact C-N 3.32Å; E839-T841 PolarHBondContact O-N 2.98Å; T841-K844 PolarHBondContact O-N 3.31Å; T841-D845 WeakPolarHBondContact O-CB 3.29Å; T841-D845 PolarHBondContact O-N 3.01Å
842	V	90.9	Very high	89.2	Confident	15 Å²	15	78.6 Å²	78.6	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-48.5	175.6	166.8	0	0	0	0	110.9	L312 A315 K316 H319 W838 E839 K844 D845 E846	L312-V842 HydrophobicContact CD1-CB 4.36Å; L312-V842 HydrophobicContact CD1-CG1 3.99Å; L312-V842 HydrophobicContact CD1-CG2 4.47Å; A315-V842 HydrophobicContact CB-CG2 4Å; K316-V842 HydrophobicContact CG-CG1 3.99Å; K316-V842 HydrophobicContact CG-CG2 4.02Å; H319-V842 HydrophobicContact CB-CG2 4.38Å; W838-V842 WeakPolarHBondContact O-CB 3.46Å; W838-V842 VanDerWaalsContact O-CG2 3.3Å; W838-V842 WeakPolarHBondContact O-CG2 3.48Å; W838-V842 PolarHBondContact O-N 3.25Å; E839-V842 PolarHBondContact O-N 3.28Å; V842-K844 VanDerWaalsContact C-N 3.32Å; V842-K844 PolarHBondContact O-N 3.5Å; V842-D845 PolarHBondContact O-N 3.28Å; V842-E846 HydrophobicContact CG1-CG 4.46Å; V842-E846 WeakPolarHBondContact O-CB 3.27Å; V842-E846 WeakPolarHBondContact O-CG 3.25Å; V842-E846 PolarHBondContact O-N 3.45Å
843	K	90.7	Very high	89.1	Confident	124 Å²	124	78.3 Å²	78.3	54%	0.539	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-41	177.5	-77.9	177.1	-175.8	160.4	0	112.6	E839 Q840 A847	E839-K843 PolarHBondContact O-N 3Å; E839-K843 WeakPolarHBondContact OE1-CE 3.39Å; E839-K843 IonicContact OE1-NZ 2.83Å; E839-K843 PolarHBondContact OE1-NZ 3.45Å; Q840-K843 PolarHBondContact O-N 3.18Å; K843-A847 PolarHBondContact O-N 2.87Å; K843-A847 VanDerWaalsContact O-N 3.09Å
844	K	89.1	Confident	89.2	Confident	152 Å²	152	79.2 Å²	79.2	66%	0.661	37%	0.371	S	S	*	.	H	α-helix	trans	-66.2	-47.2	178.2	-174.9	179.6	177	179.1	0	111.6	Q840 T841 V842 E846 A847 E848	Q840-K844 WeakPolarHBondContact O-CB 3.36Å; Q840-K844 PolarHBondContact O-N 3.22Å; T841-K844 PolarHBondContact O-N 3.31Å; V842-K844 VanDerWaalsContact C-N 3.32Å; V842-K844 PolarHBondContact O-N 3.5Å; K844-E846 VanDerWaalsContact C-N 3.34Å; K844-A847 PolarHBondContact O-N 2.86Å; K844-E848 WeakPolarHBondContact O-CB 3.37Å; K844-E848 PolarHBondContact O-N 3.46Å
845	D	88.8	Confident	89.2	Confident	9 Å²	9	79 Å²	79	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-66.8	-34.6	178.9	-78.6	-17.9	0	0	0	111.4	L312 T841 V842 E848 I849	L312-D845 HydrophobicContact CB-CB 4.43Å; L312-D845 HydrophobicContact CD1-CB 3.91Å; T841-D845 WeakPolarHBondContact O-CB 3.29Å; T841-D845 PolarHBondContact O-N 3.01Å; V842-D845 PolarHBondContact O-N 3.28Å; D845-E848 PolarHBondContact O-N 2.99Å; D845-I849 WeakPolarHBondContact O-CB 3.29Å; D845-I849 WeakPolarHBondContact O-CD1 3.3Å; D845-I849 VanDerWaalsContact O-CG1 3.29Å; D845-I849 WeakPolarHBondContact O-CG1 3.35Å; D845-I849 PolarHBondContact O-N 2.91Å
846	E	89.4	Confident	89.1	Confident	78 Å²	78	80 Å²	80	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-47.3	172.3	-79	177.9	160.9	0	0	112.4	L312 K316 V842 K844 E848 I849 E850	L312-E846 HydrophobicContact CD1-CG 3.81Å; L312-E846 HydrophobicContact CD2-CG 3.62Å; L312-E846 HydrophobicContact CG-CG 4.38Å; K316-E846 WeakPolarHBondContact CE-OE1 3.23Å; K316-E846 IonicContact NZ-OE1 3.79Å; K316-E846 PolarHBondContact NZ-OE1 3.35Å; V842-E846 HydrophobicContact CG1-CG 4.46Å; V842-E846 WeakPolarHBondContact O-CB 3.27Å; V842-E846 WeakPolarHBondContact O-CG 3.25Å; V842-E846 PolarHBondContact O-N 3.45Å; K844-E846 VanDerWaalsContact C-N 3.34Å; E846-E848 VanDerWaalsContact C-N 3.3Å; E846-E848 PolarHBondContact O-N 3.39Å; E846-I849 PolarHBondContact O-N 2.84Å; E846-E850 PolarHBondContact O-N 2.82Å
847	A	89.6	Confident	89.1	Confident	66 Å²	66	80.9 Å²	80.9	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-37.1	176.8	0	0	0	0	0	112.3	K843 K844 E850 R851	K843-A847 PolarHBondContact O-N 2.87Å; K843-A847 VanDerWaalsContact O-N 3.09Å; K844-A847 PolarHBondContact O-N 2.86Å; A847-E850 PolarHBondContact O-N 2.73Å; A847-R851 PolarHBondContact O-N 2.99Å
848	E	87.3	Confident	89	Confident	55 Å²	55	84.1 Å²	84.1	26%	0.257	38%	0.384	S	S	.	.	H	α-helix	trans	-70.2	-39.5	177.8	-162.2	175.7	169.3	0	0	112	K308 K844 D845 E846 E850 R851 L852	K308-E848 WeakPolarHBondContact CE-OE1 3.44Å; K308-E848 IonicContact NZ-OE1 3.64Å; K308-E848 PolarHBondContact NZ-OE1 3.08Å; K308-E848 IonicContact NZ-OE2 3.3Å; K308-E848 PolarHBondContact NZ-OE2 2.98Å; K844-E848 WeakPolarHBondContact O-CB 3.37Å; K844-E848 PolarHBondContact O-N 3.46Å; D845-E848 PolarHBondContact O-N 2.99Å; E846-E848 VanDerWaalsContact C-N 3.3Å; E846-E848 PolarHBondContact O-N 3.39Å; E848-E850 VanDerWaalsContact C-N 3.34Å; E848-R851 WeakPolarHBondContact O-CB 3.42Å; E848-R851 PolarHBondContact O-N 3.11Å; E848-L852 WeakPolarHBondContact O-CG 3.49Å; E848-L852 PolarHBondContact O-N 3.14Å
849	I	89.8	Confident	89	Confident	10 Å²	10	82.3 Å²	82.3	5%	0.051	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-42.2	173.2	-75	162.1	0	0	0	111	K308 I309 L312 D845 E846 R851 L852 K853	K308-I849 HydrophobicContact CB-CD1 4.39Å; K308-I849 HydrophobicContact CB-CG1 3.83Å; I309-I849 HydrophobicContact CG1-CD1 4.03Å; I309-I849 HydrophobicContact CG1-CG1 4.32Å; I309-I849 HydrophobicContact CG1-CG2 4.11Å; L312-I849 HydrophobicContact CB-CD1 3.64Å; L312-I849 HydrophobicContact CD2-CD1 3.51Å; L312-I849 HydrophobicContact CG-CD1 4.15Å; D845-I849 WeakPolarHBondContact O-CB 3.29Å; D845-I849 WeakPolarHBondContact O-CD1 3.3Å; D845-I849 VanDerWaalsContact O-CG1 3.29Å; D845-I849 WeakPolarHBondContact O-CG1 3.35Å; D845-I849 PolarHBondContact O-N 2.91Å; E846-I849 PolarHBondContact O-N 2.84Å; I849-R851 VanDerWaalsContact C-N 3.28Å; I849-R851 PolarHBondContact O-N 2.83Å; I849-L852 PolarHBondContact O-N 3.41Å; I849-K853 HydrophobicContact CG2-CD 4.17Å; I849-K853 HydrophobicContact CG2-CG 4.3Å; I849-K853 WeakPolarHBondContact O-CB 3.08Å; I849-K853 WeakPolarHBondContact O-CG 3.31Å; I849-K853 PolarHBondContact O-N 3.37Å
850	E	90.1	Very high	88.9	Confident	98 Å²	98	81.6 Å²	81.6	46%	0.458	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-38.7	178.3	-172.2	58.7	-156.7	0	0	111.6	E846 A847 E848 K854	E846-E850 PolarHBondContact O-N 2.82Å; A847-E850 PolarHBondContact O-N 2.73Å; E848-E850 VanDerWaalsContact C-N 3.34Å; E850-K854 WeakPolarHBondContact O-CG 3.34Å; E850-K854 PolarHBondContact O-N 3.09Å; E850-K854 VanDerWaalsContact O-N 3.17Å
851	R	89.6	Confident	88.9	Confident	142 Å²	142	81.7 Å²	81.7	54%	0.536	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-46.6	173	-167.9	-172	71.2	168.5	1.5	111.9	A847 E848 I849 K853 K854 E855	A847-R851 PolarHBondContact O-N 2.99Å; E848-R851 WeakPolarHBondContact O-CB 3.42Å; E848-R851 PolarHBondContact O-N 3.11Å; I849-R851 VanDerWaalsContact C-N 3.28Å; I849-R851 PolarHBondContact O-N 2.83Å; R851-K853 VanDerWaalsContact C-N 3.35Å; R851-K853 PolarHBondContact O-N 3.19Å; R851-K854 WeakPolarHBondContact O-CB 3.4Å; R851-K854 PolarHBondContact O-N 3.4Å; R851-E855 PolarHBondContact O-N 3.1Å; R851-E855 VanDerWaalsContact O-N 3.09Å
852	L	87.6	Confident	89	Confident	16 Å²	16	81.9 Å²	81.9	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-37.2	179.9	-71	170.5	0	0	0	112.3	K308 E848 I849 K854 E855 E856	K308-L852 HydrophobicContact CB-CD1 4.15Å; K308-L852 HydrophobicContact CG-CD1 3.78Å; E848-L852 WeakPolarHBondContact O-CG 3.49Å; E848-L852 PolarHBondContact O-N 3.14Å; I849-L852 PolarHBondContact O-N 3.41Å; L852-K854 PolarHBondContact O-N 2.69Å; L852-E855 PolarHBondContact O-N 3.47Å; L852-E856 PolarHBondContact O-N 3.17Å
853	K	86.9	Confident	88.9	Confident	99 Å²	99	81.7 Å²	81.7	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-39.2	173	-78.8	-176.5	175.8	-179	0	112.4	T305 I849 R851 E855 E856 H857	T305-K853 HydrophobicContact CG2-CG 3.89Å; I849-K853 HydrophobicContact CG2-CD 4.17Å; I849-K853 HydrophobicContact CG2-CG 4.3Å; I849-K853 WeakPolarHBondContact O-CB 3.08Å; I849-K853 WeakPolarHBondContact O-CG 3.31Å; I849-K853 PolarHBondContact O-N 3.37Å; R851-K853 VanDerWaalsContact C-N 3.35Å; R851-K853 PolarHBondContact O-N 3.19Å; K853-E855 VanDerWaalsContact C-N 3.34Å; K853-E856 PolarHBondContact O-N 2.87Å; K853-H857 WeakPolarHBondContact O-CB 3.38Å; K853-H857 PolarHBondContact O-N 2.97Å
854	K	89.8	Confident	88.8	Confident	138 Å²	138	80.2 Å²	80.2	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-64.2	-39.3	174	-74.1	175.9	-178.8	176.9	0	111.9	E850 R851 L852 R858	E850-K854 WeakPolarHBondContact O-CG 3.34Å; E850-K854 PolarHBondContact O-N 3.09Å; E850-K854 VanDerWaalsContact O-N 3.17Å; R851-K854 WeakPolarHBondContact O-CB 3.4Å; R851-K854 PolarHBondContact O-N 3.4Å; L852-K854 PolarHBondContact O-N 2.69Å; K854-R858 WeakPolarHBondContact O-CB 3.3Å; K854-R858 PolarHBondContact O-N 3.39Å
855	E	86.9	Confident	88.8	Confident	87 Å²	87	77.5 Å²	77.5	41%	0.407	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-44.5	174.1	-72	-177.8	159.9	0	0	112.1	R851 L852 K853 H857 R858 H859	R851-E855 PolarHBondContact O-N 3.1Å; R851-E855 VanDerWaalsContact O-N 3.09Å; L852-E855 PolarHBondContact O-N 3.47Å; K853-E855 VanDerWaalsContact C-N 3.34Å; E855-H857 PolarHBondContact O-N 3.49Å; E855-R858 PolarHBondContact O-N 3.4Å; E855-H859 PolarHBondContact O-CD2 2.93Å; E855-H859 PolarHBondContact O-N 2.92Å
856	E	88.1	Confident	88.8	Confident	40 Å²	40	77.4 Å²	77.4	19%	0.187	36%	0.359	C	S	.	.	H	α-helix	trans	-56.9	-48.5	174.3	-178	-178	170.1	0	0	111.2	Y298 L852 K853 R858 H859 M860	Y298-E856 HydrophobicContact CD2-CG 4.16Å; Y298-E856 HydrophobicContact CE2-CG 3.55Å; Y298-E856 PolarHBondContact OH-OE1 3.34Å; L852-E856 PolarHBondContact O-N 3.17Å; K853-E856 PolarHBondContact O-N 2.87Å; E856-R858 VanDerWaalsContact C-N 3.34Å; E856-R858 PolarHBondContact O-N 2.91Å; E856-H859 PolarHBondContact O-N 3.45Å; E856-M860 PolarHBondContact O-N 2.82Å
857	H	88.3	Confident	88.7	Confident	134 Å²	134	77.8 Å²	77.8	62%	0.62	36%	0.362	S	S	*	.	H	α-helix	trans	-64.9	-37.6	179.7	-166.8	63.9	0	0	0	112.4	K853 E855 M860 K861	K853-H857 WeakPolarHBondContact O-CB 3.38Å; K853-H857 PolarHBondContact O-N 2.97Å; E855-H857 PolarHBondContact O-N 3.49Å; H857-M860 PolarHBondContact O-N 3.34Å; H857-K861 WeakPolarHBondContact O-CB 3.48Å; H857-K861 PolarHBondContact O-N 3.47Å
858	R	89.7	Confident	88.7	Confident	180 Å²	180	77.6 Å²	77.6	68%	0.679	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-45.9	174.1	-176.9	-177.1	178.8	-175.6	0.7	111.5	K854 E855 E856 K861 I862	K854-R858 WeakPolarHBondContact O-CB 3.3Å; K854-R858 PolarHBondContact O-N 3.39Å; E855-R858 PolarHBondContact O-N 3.4Å; E856-R858 VanDerWaalsContact C-N 3.34Å; E856-R858 PolarHBondContact O-N 2.91Å; R858-K861 PolarHBondContact O-N 3.35Å; R858-I862 HydrophobicContact CG-CD1 4.23Å; R858-I862 VanDerWaalsContact O-CG1 3.32Å; R858-I862 WeakPolarHBondContact O-CG1 3.42Å; R858-I862 PolarHBondContact O-N 3.09Å
859	H	88.1	Confident	88.8	Confident	46 Å²	46	79.4 Å²	79.4	21%	0.213	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-37.8	177.9	-76.6	-63	0	0	0	112.4	Y298 E855 E856 I862 I863	Y298-H859 HydrophobicContact CD2-CB 4.31Å; E855-H859 PolarHBondContact O-CD2 2.93Å; E855-H859 PolarHBondContact O-N 2.92Å; E856-H859 PolarHBondContact O-N 3.45Å; H859-I862 PolarHBondContact O-N 2.87Å; H859-I863 WeakPolarHBondContact O-CG1 3.36Å; H859-I863 PolarHBondContact O-N 3.36Å; H859-I863 VanDerWaalsContact O-N 3.1Å
860	M	88.7	Confident	88.8	Confident	62 Å²	62	79.4 Å²	79.4	31%	0.305	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-48.6	173.9	-170.9	69.8	91.1	0	0	111.4	Y298 E856 H857 I862 I863 D864	Y298-M860 HydrophobicContact CD2-CB 4.34Å; Y298-M860 HydrophobicContact CD2-CE 4.44Å; Y298-M860 HydrophobicContact CD2-SD 4.5Å; Y298-M860 HydrophobicContact CE1-CE 4Å; Y298-M860 HydrophobicContact CE2-CB 4.16Å; Y298-M860 HydrophobicContact CE2-CE 3.48Å; Y298-M860 VanDerWaalsContact CE2-CE 3.48Å; Y298-M860 HydrophobicContact CE2-SD 4.07Å; Y298-M860 WeakPolarHBondContact OH-CE 3.4Å; E856-M860 PolarHBondContact O-N 2.82Å; H857-M860 PolarHBondContact O-N 3.34Å; M860-I862 VanDerWaalsContact C-N 3.3Å; M860-I862 PolarHBondContact O-N 3.37Å; M860-I863 WeakPolarHBondContact O-CA 3.38Å; M860-I863 WeakPolarHBondContact O-CB 3.41Å; M860-I863 PolarHBondContact O-N 3.39Å; M860-D864 PolarHBondContact O-N 3.02Å
861	K	90.4	Very high	88.7	Confident	122 Å²	122	79.8 Å²	79.8	53%	0.53	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-41.6	179.7	-169.2	178.6	-179.8	-174.7	0	112.5	H857 R858 I863 D864 E865	H857-K861 WeakPolarHBondContact O-CB 3.48Å; H857-K861 PolarHBondContact O-N 3.47Å; R858-K861 PolarHBondContact O-N 3.35Å; K861-I863 VanDerWaalsContact C-N 3.34Å; K861-I863 PolarHBondContact O-N 3.31Å; K861-D864 PolarHBondContact O-N 2.96Å; K861-E865 WeakPolarHBondContact CE-OE1 3.48Å; K861-E865 WeakPolarHBondContact O-CB 3.25Å; K861-E865 VanDerWaalsContact O-CG 3.3Å; K861-E865 WeakPolarHBondContact O-CG 3.39Å; K861-E865 PolarHBondContact O-N 3.22Å
862	I	89.4	Confident	88.8	Confident	47 Å²	47	77 Å²	77	24%	0.241	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-40.5	176	-67.1	165.2	0	0	0	111.1	R858 H859 M860 T866	R858-I862 HydrophobicContact CG-CD1 4.23Å; R858-I862 VanDerWaalsContact O-CG1 3.32Å; R858-I862 WeakPolarHBondContact O-CG1 3.42Å; R858-I862 PolarHBondContact O-N 3.09Å; H859-I862 PolarHBondContact O-N 2.87Å; M860-I862 VanDerWaalsContact C-N 3.3Å; M860-I862 PolarHBondContact O-N 3.37Å; I862-T866 WeakPolarHBondContact O-CB 3.35Å; I862-T866 PolarHBondContact O-N 2.69Å; I862-T866 PolarHBondContact O-OG1 3.32Å
863	I	89	Confident	88.9	Confident	11 Å²	11	77.2 Å²	77.2	6%	0.056	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-46.4	176.9	-73.5	170.6	0	0	0	110.4	L291 K294 R295 Y298 H859 M860 K861 T866 M867	L291-I863 HydrophobicContact CD1-CG2 4.05Å; K294-I863 HydrophobicContact CB-CG1 4.26Å; R295-I863 HydrophobicContact CG-CD1 4.37Å; Y298-I863 HydrophobicContact CD1-CD1 4.47Å; Y298-I863 HydrophobicContact CG-CD1 4.01Å; H859-I863 WeakPolarHBondContact O-CG1 3.36Å; H859-I863 PolarHBondContact O-N 3.36Å; H859-I863 VanDerWaalsContact O-N 3.1Å; M860-I863 WeakPolarHBondContact O-CA 3.38Å; M860-I863 WeakPolarHBondContact O-CB 3.41Å; M860-I863 PolarHBondContact O-N 3.39Å; K861-I863 VanDerWaalsContact C-N 3.34Å; K861-I863 PolarHBondContact O-N 3.31Å; I863-T866 PolarHBondContact O-N 2.68Å; I863-M867 HydrophobicContact CG2-CG 4.44Å; I863-M867 HydrophobicContact CG2-SD 3.99Å; I863-M867 WeakPolarHBondContact O-CB 3.32Å; I863-M867 WeakPolarHBondContact O-CG 3.41Å; I863-M867 PolarHBondContact O-N 3.09Å
864	D	88.3	Confident	88.9	Confident	92 Å²	92	76.9 Å²	76.9	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-44.3	179.8	-68.7	-25.2	0	0	0	111.7	M860 K861 T866 M867 A868	M860-D864 PolarHBondContact O-N 3.02Å; K861-D864 PolarHBondContact O-N 2.96Å; D864-T866 PolarHBondContact O-N 3.34Å; D864-M867 PolarHBondContact O-N 2.94Å; D864-A868 WeakPolarHBondContact O-CB 3.48Å; D864-A868 PolarHBondContact O-N 3.49Å
865	E	90	Very high	89	Confident	96 Å²	96	74.4 Å²	74.4	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174.9	-74.6	171.2	-177.6	0	0	111.6	K861 A868 Q869	K861-E865 WeakPolarHBondContact CE-OE1 3.48Å; K861-E865 WeakPolarHBondContact O-CB 3.25Å; K861-E865 VanDerWaalsContact O-CG 3.3Å; K861-E865 WeakPolarHBondContact O-CG 3.39Å; K861-E865 PolarHBondContact O-N 3.22Å; E865-A868 PolarHBondContact O-N 3.17Å; E865-Q869 WeakPolarHBondContact O-CG 3.41Å; E865-Q869 PolarHBondContact O-N 3.43Å
866	T	87.7	Confident	89.1	Confident	7 Å²	7	74 Å²	74	4%	0.043	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-38	178.9	-51.6	0	0	0	0	111.5	K287 L291 I862 I863 D864 Q869 L870	K287-T866 HydrophobicContact CD-CG2 4.24Å; L291-T866 HydrophobicContact CB-CG2 4.39Å; L291-T866 HydrophobicContact CD1-CG2 4.31Å; I862-T866 WeakPolarHBondContact O-CB 3.35Å; I862-T866 PolarHBondContact O-N 2.69Å; I862-T866 PolarHBondContact O-OG1 3.32Å; I863-T866 PolarHBondContact O-N 2.68Å; D864-T866 PolarHBondContact O-N 3.34Å; T866-Q869 PolarHBondContact O-N 3.03Å; T866-L870 WeakPolarHBondContact O-CB 3.25Å; T866-L870 PolarHBondContact O-N 3.01Å
867	M	87.5	Confident	89.3	Confident	85 Å²	85	74 Å²	74	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-40.7	175.2	-79.8	-177.1	50.9	0	0	112.1	L291 I863 D864 L870 Q871	L291-M867 HydrophobicContact CD1-CG 3.66Å; L291-M867 HydrophobicContact CD1-SD 4.48Å; L291-M867 HydrophobicContact CD2-CG 3.97Å; L291-M867 HydrophobicContact CG-CG 4.5Å; I863-M867 HydrophobicContact CG2-CG 4.44Å; I863-M867 HydrophobicContact CG2-SD 3.99Å; I863-M867 WeakPolarHBondContact O-CB 3.32Å; I863-M867 WeakPolarHBondContact O-CG 3.41Å; I863-M867 PolarHBondContact O-N 3.09Å; D864-M867 PolarHBondContact O-N 2.94Å; M867-L870 PolarHBondContact O-N 3.46Å; M867-Q871 WeakPolarHBondContact O-CB 3.4Å; M867-Q871 PolarHBondContact O-N 3.19Å
868	A	89.8	Confident	89.3	Confident	63 Å²	63	73.6 Å²	73.6	52%	0.521	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-45.2	175.3	0	0	0	0	0	111.6	D864 E865 L870 Q871 D872	D864-A868 WeakPolarHBondContact O-CB 3.48Å; D864-A868 PolarHBondContact O-N 3.49Å; E865-A868 PolarHBondContact O-N 3.17Å; A868-L870 VanDerWaalsContact C-N 3.35Å; A868-L870 PolarHBondContact O-N 3.28Å; A868-Q871 PolarHBondContact O-N 3.4Å; A868-D872 PolarHBondContact O-N 3.29Å
869	Q	89.7	Confident	89.3	Confident	92 Å²	92	69 Å²	69	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.8	-72.4	173.2	3.9	0	0	112.2	E865 T866 Q871 D872 L873	E865-Q869 WeakPolarHBondContact O-CG 3.41Å; E865-Q869 PolarHBondContact O-N 3.43Å; T866-Q869 PolarHBondContact O-N 3.03Å; Q869-Q871 VanDerWaalsContact C-N 3.32Å; Q869-Q871 PolarHBondContact O-N 3.25Å; Q869-D872 PolarHBondContact O-N 3.03Å; Q869-L873 WeakPolarHBondContact O-CG 3.5Å; Q869-L873 PolarHBondContact O-N 3.38Å
870	L	88.6	Confident	89.3	Confident	11 Å²	11	68.9 Å²	68.9	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-35.9	178.9	-173.8	129.4	0	0	0	112.1	K287 D288 T866 M867 A868 K874	K287-L870 HydrophobicContact CB-CD1 3.95Å; D288-L870 HydrophobicContact CB-CD1 3.85Å; T866-L870 WeakPolarHBondContact O-CB 3.25Å; T866-L870 PolarHBondContact O-N 3.01Å; M867-L870 PolarHBondContact O-N 3.46Å; A868-L870 VanDerWaalsContact C-N 3.35Å; A868-L870 PolarHBondContact O-N 3.28Å; L870-K874 HydrophobicContact CD2-CD 4.07Å; L870-K874 WeakPolarHBondContact O-CG 3.22Å; L870-K874 PolarHBondContact O-N 3.36Å
871	Q	88.3	Confident	89.2	Confident	105 Å²	105	71.1 Å²	71.1	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-68.5	-40.1	175.1	-170.4	64.2	14.1	0	0	111.8	M867 A868 Q869 K874 N875	M867-Q871 WeakPolarHBondContact O-CB 3.4Å; M867-Q871 PolarHBondContact O-N 3.19Å; A868-Q871 PolarHBondContact O-N 3.4Å; Q869-Q871 VanDerWaalsContact C-N 3.32Å; Q869-Q871 PolarHBondContact O-N 3.25Å; Q871-K874 PolarHBondContact O-N 3.22Å; Q871-N875 PolarHBondContact O-N 3.4Å; Q871-N875 VanDerWaalsContact O-N 3.08Å
872	D	91.3	Very high	89.1	Confident	85 Å²	85	68.2 Å²	68.2	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-47.5	175.4	-169.8	58.8	0	0	0	111.6	A868 Q869 K874 N875 Q876	A868-D872 PolarHBondContact O-N 3.29Å; Q869-D872 PolarHBondContact O-N 3.03Å; D872-K874 VanDerWaalsContact C-N 3.29Å; D872-K874 PolarHBondContact O-N 2.84Å; D872-N875 WeakPolarHBondContact O-CB 3.45Å; D872-N875 PolarHBondContact O-N 3.45Å; D872-Q876 WeakPolarHBondContact O-CG 3.47Å; D872-Q876 PolarHBondContact O-N 3.43Å; D872-Q876 PolarHBondContact OD2-NE2 3.45Å
873	L	90.7	Very high	89.1	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-37.7	175.4	-73.4	169.9	0	0	0	112.6	I280 E283 I284 K287 Q869 Q876 H877	I280-L873 HydrophobicContact CG2-CD2 4.32Å; I280-L873 WeakPolarHBondContact CG2-O 3.44Å; E283-L873 HydrophobicContact CB-CD1 4.16Å; E283-L873 HydrophobicContact CB-CD2 4.45Å; E283-L873 WeakPolarHBondContact OE2-CD2 3.47Å; I284-L873 HydrophobicContact CD1-CB 4.4Å; I284-L873 HydrophobicContact CG1-CB 3.72Å; K287-L873 HydrophobicContact CG-CD1 4.04Å; Q869-L873 WeakPolarHBondContact O-CG 3.5Å; Q869-L873 PolarHBondContact O-N 3.38Å; L873-Q876 PolarHBondContact O-N 2.89Å; L873-H877 WeakPolarHBondContact O-CB 3.47Å; L873-H877 PolarHBondContact O-N 3.33Å
874	K	87.8	Confident	89	Confident	92 Å²	92	69.5 Å²	69.5	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-39.7	174.3	-80.1	176.7	178.4	175.7	0	112.3	I284 L870 Q871 D872 H877 L878	I284-K874 HydrophobicContact CD1-CG 4.17Å; L870-K874 HydrophobicContact CD2-CD 4.07Å; L870-K874 WeakPolarHBondContact O-CG 3.22Å; L870-K874 PolarHBondContact O-N 3.36Å; Q871-K874 PolarHBondContact O-N 3.22Å; D872-K874 VanDerWaalsContact C-N 3.29Å; D872-K874 PolarHBondContact O-N 2.84Å; K874-H877 PolarHBondContact O-N 3.23Å; K874-L878 PolarHBondContact O-N 2.92Å; K874-L878 VanDerWaalsContact O-N 3.09Å
875	N	90.4	Very high	88.8	Confident	87 Å²	87	69.7 Å²	69.7	47%	0.465	36%	0.36	S	S	.	.	H	α-helix	trans	-66.4	-43.6	175.5	-68.8	-19.1	0	0	0	111.1	Q871 D872 H877 L878 T879	Q871-N875 PolarHBondContact O-N 3.4Å; Q871-N875 VanDerWaalsContact O-N 3.08Å; D872-N875 WeakPolarHBondContact O-CB 3.45Å; D872-N875 PolarHBondContact O-N 3.45Å; N875-H877 VanDerWaalsContact C-N 3.33Å; N875-H877 PolarHBondContact O-N 3.07Å; N875-L878 WeakPolarHBondContact O-CB 3.1Å; N875-L878 PolarHBondContact O-N 2.91Å; N875-L878 VanDerWaalsContact O-N 3.11Å; N875-T879 PolarHBondContact O-N 3.23Å; N875-T879 PolarHBondContact O-OG1 3.08Å
876	Q	90.1	Very high	88.7	Confident	79 Å²	79	69.6 Å²	69.6	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-39	175.3	-66.6	-179.4	21	0	0	112.5	I280 D872 L873 L878 T879 K880	I280-Q876 HydrophobicContact CD1-CB 4.36Å; D872-Q876 WeakPolarHBondContact O-CG 3.47Å; D872-Q876 PolarHBondContact O-N 3.43Å; D872-Q876 PolarHBondContact OD2-NE2 3.45Å; L873-Q876 PolarHBondContact O-N 2.89Å; Q876-L878 VanDerWaalsContact C-N 3.29Å; Q876-L878 PolarHBondContact O-N 2.97Å; Q876-T879 WeakPolarHBondContact CA-OG1 3.39Å; Q876-T879 PolarHBondContact O-OG1 2.87Å; Q876-K880 WeakPolarHBondContact O-CB 3.46Å; Q876-K880 WeakPolarHBondContact O-CG 3.37Å; Q876-K880 PolarHBondContact O-N 3.41Å
877	H	90.7	Very high	88.6	Confident	39 Å²	39	71.7 Å²	71.7	18%	0.181	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-38.4	173.6	175.8	-93.2	0	0	0	111.4	Q277 I280 I284 L873 K874 N875 K881	Q277-H877 PolarHBondContact NE2-NE2 2.95Å; I280-H877 HydrophobicContact CG2-CB 3.84Å; I284-H877 HydrophobicContact CD1-CB 3.89Å; L873-H877 WeakPolarHBondContact O-CB 3.47Å; L873-H877 PolarHBondContact O-N 3.33Å; K874-H877 PolarHBondContact O-N 3.23Å; N875-H877 VanDerWaalsContact C-N 3.33Å; N875-H877 PolarHBondContact O-N 3.07Å; H877-K881 WeakPolarHBondContact O-CB 3.44Å; H877-K881 PolarHBondContact O-N 3.5Å
878	L	88.2	Confident	88.4	Confident	126 Å²	126	70.9 Å²	70.9	66%	0.66	37%	0.368	S	S	*	.	H	α-helix	trans	-67.7	-43.2	179.9	-154.2	113.2	0	0	0	112.1	K874 N875 Q876 K881 S882	K874-L878 PolarHBondContact O-N 2.92Å; K874-L878 VanDerWaalsContact O-N 3.09Å; N875-L878 WeakPolarHBondContact O-CB 3.1Å; N875-L878 PolarHBondContact O-N 2.91Å; N875-L878 VanDerWaalsContact O-N 3.11Å; Q876-L878 VanDerWaalsContact C-N 3.29Å; Q876-L878 PolarHBondContact O-N 2.97Å; L878-K881 PolarHBondContact O-N 3.05Å; L878-S882 PolarHBondContact O-N 3.46Å; L878-S882 VanDerWaalsContact O-N 3.16Å
879	T	90	Very high	88.1	Confident	82 Å²	82	73.9 Å²	73.9	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-47.2	174.9	43.9	0	0	0	0	111.5	N875 Q876 K881 S882 E883	N875-T879 PolarHBondContact O-N 3.23Å; N875-T879 PolarHBondContact O-OG1 3.08Å; Q876-T879 WeakPolarHBondContact CA-OG1 3.39Å; Q876-T879 PolarHBondContact O-OG1 2.87Å; T879-K881 VanDerWaalsContact C-N 3.3Å; T879-K881 PolarHBondContact O-N 3.4Å; T879-S882 WeakPolarHBondContact O-CA 3.5Å; T879-S882 VanDerWaalsContact O-CB 3.31Å; T879-S882 WeakPolarHBondContact O-CB 3.35Å; T879-S882 PolarHBondContact O-N 2.94Å; T879-E883 PolarHBondContact O-N 2.97Å
880	K	88.6	Confident	87.8	Confident	45 Å²	45	72.7 Å²	72.7	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-36.5	177	-75.2	-76.4	164.4	-171	0	113	L273 E276 I280 Q876 S882 E883 V884	L273-K880 HydrophobicContact CD2-CD 4.41Å; E276-K880 IonicContact OE2-NZ 3.52Å; E276-K880 PolarHBondContact OE2-NZ 3.34Å; I280-K880 HydrophobicContact CD1-CG 3.91Å; Q876-K880 WeakPolarHBondContact O-CB 3.46Å; Q876-K880 WeakPolarHBondContact O-CG 3.37Å; Q876-K880 PolarHBondContact O-N 3.41Å; K880-S882 VanDerWaalsContact C-N 3.3Å; K880-S882 PolarHBondContact O-N 3.48Å; K880-E883 WeakPolarHBondContact CD-OE2 3.5Å; K880-E883 WeakPolarHBondContact CE-OE2 3.47Å; K880-E883 IonicContact NZ-OE2 3.75Å; K880-E883 PolarHBondContact NZ-OE2 3.21Å; K880-E883 PolarHBondContact O-N 3.28Å; K880-V884 WeakPolarHBondContact O-CG2 3.49Å; K880-V884 PolarHBondContact O-N 2.82Å
881	K	87.3	Confident	87.6	Confident	108 Å²	108	72.4 Å²	72.4	47%	0.47	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-36.3	173.4	-174.9	176.8	-179.9	-179.6	0	112.2	H877 L878 T879 N885	H877-K881 WeakPolarHBondContact O-CB 3.44Å; H877-K881 PolarHBondContact O-N 3.5Å; L878-K881 PolarHBondContact O-N 3.05Å; T879-K881 VanDerWaalsContact C-N 3.3Å; T879-K881 PolarHBondContact O-N 3.4Å; K881-N885 PolarHBondContact O-N 2.96Å
882	S	88.4	Confident	87.2	Confident	61 Å²	61	72.5 Å²	72.5	43%	0.427	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-47.6	173.2	-161.8	0	0	0	0	111.4	L878 T879 K880 V884 N885 D886	L878-S882 PolarHBondContact O-N 3.46Å; L878-S882 VanDerWaalsContact O-N 3.16Å; T879-S882 WeakPolarHBondContact O-CA 3.5Å; T879-S882 VanDerWaalsContact O-CB 3.31Å; T879-S882 WeakPolarHBondContact O-CB 3.35Å; T879-S882 PolarHBondContact O-N 2.94Å; K880-S882 VanDerWaalsContact C-N 3.3Å; K880-S882 PolarHBondContact O-N 3.48Å; S882-V884 VanDerWaalsContact C-N 3.28Å; S882-V884 PolarHBondContact O-N 3Å; S882-N885 WeakPolarHBondContact O-CB 3.46Å; S882-N885 PolarHBondContact O-N 3.23Å; S882-D886 PolarHBondContact O-N 3.35Å
883	E	89.2	Confident	86.8	Confident	78 Å²	78	74 Å²	74	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-39.8	177.8	-67.9	176.7	-173.9	0	0	112.3	L273 T879 K880 N885 D886 K887	L273-E883 HydrophobicContact CD1-CB 4.4Å; L273-E883 WeakPolarHBondContact CD2-OE2 3.39Å; T879-E883 PolarHBondContact O-N 2.97Å; K880-E883 WeakPolarHBondContact CD-OE2 3.5Å; K880-E883 WeakPolarHBondContact CE-OE2 3.47Å; K880-E883 IonicContact NZ-OE2 3.75Å; K880-E883 PolarHBondContact NZ-OE2 3.21Å; K880-E883 PolarHBondContact O-N 3.28Å; E883-N885 VanDerWaalsContact C-N 3.35Å; E883-D886 PolarHBondContact O-N 3.14Å; E883-K887 WeakPolarHBondContact O-CG 3.38Å; E883-K887 PolarHBondContact O-N 3.3Å
884	V	87.2	Confident	86.4	Confident	8 Å²	8	74.1 Å²	74.1	5%	0.048	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-39.7	175	169	0	0	0	0	111.4	L270 L273 M274 K880 S882 N888	L270-V884 HydrophobicContact CD1-CG1 4.14Å; L273-V884 HydrophobicContact CB-CG2 3.81Å; M274-V884 HydrophobicContact CG-CG1 4.17Å; M274-V884 HydrophobicContact CG-CG2 4.39Å; K880-V884 WeakPolarHBondContact O-CG2 3.49Å; K880-V884 PolarHBondContact O-N 2.82Å; S882-V884 VanDerWaalsContact C-N 3.28Å; S882-V884 PolarHBondContact O-N 3Å; V884-N888 WeakPolarHBondContact O-CB 3.44Å; V884-N888 PolarHBondContact O-N 3.47Å; V884-N888 PolarHBondContact O-ND2 2.99Å; V884-N888 VanDerWaalsContact O-ND2 3.11Å
885	N	84.5	Confident	86	Confident	95 Å²	95	76 Å²	76	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-43.2	177.2	-78.1	-13.7	0	0	0	112.1	K881 S882 E883 N888 H889	K881-N885 PolarHBondContact O-N 2.96Å; S882-N885 WeakPolarHBondContact O-CB 3.46Å; S882-N885 PolarHBondContact O-N 3.23Å; E883-N885 VanDerWaalsContact C-N 3.35Å; N885-N888 WeakPolarHBondContact O-CB 3.46Å; N885-N888 PolarHBondContact O-N 3.37Å; N885-H889 PolarHBondContact O-N 3.35Å
886	D	86.2	Confident	85.5	Confident	95 Å²	95	80.1 Å²	80.1	51%	0.508	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-43.3	179.3	-63.7	-25	0	0	0	111.2	S882 E883 N888 H889 E890	S882-D886 PolarHBondContact O-N 3.35Å; E883-D886 PolarHBondContact O-N 3.14Å; D886-N888 VanDerWaalsContact C-N 3.34Å; D886-N888 PolarHBondContact O-N 2.99Å; D886-H889 WeakPolarHBondContact O-CB 3.45Å; D886-H889 PolarHBondContact O-N 2.98Å; D886-H889 VanDerWaalsContact O-N 3.09Å; D886-E890 PolarHBondContact O-N 3.46Å
887	K	86.2	Confident	85	Confident	50 Å²	50	83 Å²	83	22%	0.217	40%	0.399	C	S	.	.	H	α-helix	trans	-68.5	-30.9	175.3	-69.6	-66.4	169.9	-159.4	0	113.4	L270 L273 E883 H889 E890 M891	L270-K887 HydrophobicContact CD1-CB 4.11Å; L273-K887 HydrophobicContact CD1-CB 4.46Å; L273-K887 HydrophobicContact CD1-CG 3.83Å; E883-K887 WeakPolarHBondContact O-CG 3.38Å; E883-K887 PolarHBondContact O-N 3.3Å; K887-H889 VanDerWaalsContact C-N 3.28Å; K887-E890 IonicContact NZ-OE1 2.69Å; K887-E890 PolarHBondContact NZ-OE1 2.79Å; K887-E890 IonicContact NZ-OE2 2.82Å; K887-E890 PolarHBondContact NZ-OE2 2.95Å; K887-M891 WeakPolarHBondContact O-CB 3.23Å; K887-M891 WeakPolarHBondContact O-CG 3.34Å; K887-M891 PolarHBondContact O-N 3.4Å
888	N	82.9	Confident	84.4	Confident	68 Å²	68	82.8 Å²	82.8	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-36.2	169.2	-87.6	-40.5	0	0	0	111.7	L270 V884 N885 D886 M891 E892	L270-N888 WeakPolarHBondContact CD2-OD1 3.29Å; V884-N888 WeakPolarHBondContact O-CB 3.44Å; V884-N888 PolarHBondContact O-N 3.47Å; V884-N888 PolarHBondContact O-ND2 2.99Å; V884-N888 VanDerWaalsContact O-ND2 3.11Å; N885-N888 WeakPolarHBondContact O-CB 3.46Å; N885-N888 PolarHBondContact O-N 3.37Å; D886-N888 VanDerWaalsContact C-N 3.34Å; D886-N888 PolarHBondContact O-N 2.99Å; N888-M891 WeakPolarHBondContact O-CB 3.33Å; N888-M891 PolarHBondContact O-N 3.43Å; N888-E892 PolarHBondContact O-N 2.89Å; N888-E892 VanDerWaalsContact O-N 3.13Å
889	H	83.4	Confident	83.8	Confident	127 Å²	127	78.1 Å²	78.1	59%	0.588	38%	0.381	S	S	*	.	H	α-helix	trans	-68.3	-46.6	176.5	-164.9	61.5	0	0	0	112.2	N885 D886 K887 M891 E892 E893	N885-H889 PolarHBondContact O-N 3.35Å; D886-H889 WeakPolarHBondContact O-CB 3.45Å; D886-H889 PolarHBondContact O-N 2.98Å; D886-H889 VanDerWaalsContact O-N 3.09Å; K887-H889 VanDerWaalsContact C-N 3.28Å; H889-M891 VanDerWaalsContact C-N 3.28Å; H889-M891 PolarHBondContact O-N 3.4Å; H889-E892 WeakPolarHBondContact O-CB 3.49Å; H889-E892 PolarHBondContact O-N 3.48Å; H889-E893 PolarHBondContact O-N 2.9Å; H889-E893 VanDerWaalsContact O-N 3.16Å
890	E	84.1	Confident	83.3	Confident	66 Å²	66	75.7 Å²	75.7	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-56.4	-42.2	173.3	-73.8	179.5	-149.3	0	0	111.9	K266 D886 K887 E892 E893 I894	K266-E890 IonicContact NZ-OE2 3.08Å; K266-E890 PolarHBondContact NZ-OE2 3.36Å; D886-E890 PolarHBondContact O-N 3.46Å; K887-E890 IonicContact NZ-OE1 2.69Å; K887-E890 PolarHBondContact NZ-OE1 2.79Å; K887-E890 IonicContact NZ-OE2 2.82Å; K887-E890 PolarHBondContact NZ-OE2 2.95Å; E890-E892 VanDerWaalsContact C-N 3.29Å; E890-E892 PolarHBondContact O-N 3.27Å; E890-E893 PolarHBondContact O-N 2.7Å; E890-I894 PolarHBondContact O-N 2.87Å; E890-I894 VanDerWaalsContact O-N 3.15Å
891	M	83.4	Confident	82.7	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.03	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-37.7	175.7	-84.3	-70.5	-64	0	0	112.4	L263 K266 K267 K887 N888 H889 R895	L263-M891 HydrophobicContact CD1-CE 3.39Å; L263-M891 HydrophobicContact CD1-SD 3.75Å; L263-M891 HydrophobicContact CG-CE 4.11Å; K266-M891 HydrophobicContact CB-CG 4.26Å; K266-M891 HydrophobicContact CB-SD 3.43Å; K266-M891 WeakPolarHBondContact CB-SD 3.35Å; K267-M891 HydrophobicContact CB-CE 4.03Å; K267-M891 HydrophobicContact CB-SD 4.41Å; K267-M891 HydrophobicContact CG-CE 4.46Å; K887-M891 WeakPolarHBondContact O-CB 3.23Å; K887-M891 WeakPolarHBondContact O-CG 3.34Å; K887-M891 PolarHBondContact O-N 3.4Å; N888-M891 WeakPolarHBondContact O-CB 3.33Å; N888-M891 PolarHBondContact O-N 3.43Å; H889-M891 VanDerWaalsContact C-N 3.28Å; H889-M891 PolarHBondContact O-N 3.4Å; M891-R895 WeakPolarHBondContact O-CB 3.16Å; M891-R895 WeakPolarHBondContact O-CG 3.5Å; M891-R895 PolarHBondContact O-N 2.73Å
892	E	80.1	Confident	82.1	Confident	107 Å²	107	73 Å²	73	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-34.1	-179.9	-157.9	63	-166.1	0	0	111.9	N888 H889 E890 R895 K896	N888-E892 PolarHBondContact O-N 2.89Å; N888-E892 VanDerWaalsContact O-N 3.13Å; H889-E892 WeakPolarHBondContact O-CB 3.49Å; H889-E892 PolarHBondContact O-N 3.48Å; E890-E892 VanDerWaalsContact C-N 3.29Å; E890-E892 PolarHBondContact O-N 3.27Å; E892-R895 WeakPolarHBondContact O-CB 3.33Å; E892-R895 PolarHBondContact O-N 3.27Å; E892-R895 WeakPolarHBondContact OE2-CD 3.42Å; E892-R895 IonicContact OE2-NH1 2.83Å; E892-R895 PolarHBondContact OE2-NH1 2.98Å; E892-K896 PolarHBondContact O-N 2.9Å
893	E	82.7	Confident	81.4	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-42.9	173.1	-66.1	-156.4	137.2	0	0	112.8	H889 E890 R895 K896 K897	H889-E893 PolarHBondContact O-N 2.9Å; H889-E893 VanDerWaalsContact O-N 3.16Å; E890-E893 PolarHBondContact O-N 2.7Å; E893-R895 VanDerWaalsContact C-N 3.33Å; E893-K896 WeakPolarHBondContact O-CB 3.37Å; E893-K896 PolarHBondContact O-N 3.1Å; E893-K896 VanDerWaalsContact O-N 3.15Å; E893-K897 PolarHBondContact O-N 3.23Å; E893-K897 VanDerWaalsContact O-N 3.08Å
894	I	83.1	Confident	80.6	Confident	22 Å²	22	79.5 Å²	79.5	11%	0.113	39%	0.39	C	S	.	.	H	α-helix	trans	-66.7	-38.5	176.1	-63.7	171.1	0	0	0	110.3	V259 L263 K266 E890 K896 K897 L898	V259-I894 HydrophobicContact CG1-CG2 4.36Å; L263-I894 HydrophobicContact CB-CG2 4.03Å; L263-I894 HydrophobicContact CD1-CB 4.35Å; L263-I894 HydrophobicContact CD1-CG2 3.98Å; K266-I894 HydrophobicContact CB-CD1 4.47Å; K266-I894 HydrophobicContact CG-CD1 3.77Å; E890-I894 PolarHBondContact O-N 2.87Å; E890-I894 VanDerWaalsContact O-N 3.15Å; I894-K896 PolarHBondContact O-N 2.95Å; I894-K897 PolarHBondContact O-N 2.92Å; I894-K897 VanDerWaalsContact O-N 3.15Å; I894-L898 WeakPolarHBondContact O-CB 3.49Å; I894-L898 PolarHBondContact O-N 3.39Å
895	R	78.8	Confident	80.1	Confident	132 Å²	132	79.2 Å²	79.2	50%	0.498	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-36.3	171.1	-78.7	171.6	173.4	-171.6	-1.2	112.5	L263 M891 E892 E893 G899	L263-R895 HydrophobicContact CD1-CG 3.86Å; M891-R895 WeakPolarHBondContact O-CB 3.16Å; M891-R895 WeakPolarHBondContact O-CG 3.5Å; M891-R895 PolarHBondContact O-N 2.73Å; E892-R895 WeakPolarHBondContact O-CB 3.33Å; E892-R895 PolarHBondContact O-N 3.27Å; E892-R895 WeakPolarHBondContact OE2-CD 3.42Å; E892-R895 IonicContact OE2-NH1 2.83Å; E892-R895 PolarHBondContact OE2-NH1 2.98Å; E893-R895 VanDerWaalsContact C-N 3.33Å; R895-G899 PolarHBondContact O-N 2.76Å
896	K	80.3	Confident	79.3	Confident	172 Å²	172	76.7 Å²	76.7	75%	0.748	38%	0.376	S	S	*	.	H	α-helix	trans	-66.7	-41.4	175.1	-168.5	180	178.8	-177.6	0	111.8	E892 E893 I894 G899 G900	E892-K896 PolarHBondContact O-N 2.9Å; E893-K896 WeakPolarHBondContact O-CB 3.37Å; E893-K896 PolarHBondContact O-N 3.1Å; E893-K896 VanDerWaalsContact O-N 3.15Å; I894-K896 PolarHBondContact O-N 2.95Å; K896-G899 PolarHBondContact O-N 2.87Å; K896-G900 PolarHBondContact O-N 3.5Å
897	K	79.1	Confident	78.7	Confident	141 Å²	141	77.8 Å²	77.8	61%	0.613	38%	0.379	S	S	*	.	H	α-helix	trans	-64.8	-46.4	174.3	-69.3	-179.7	-178.2	175.6	0	112	V259 E893 I894 G899 G900 A901	V259-K897 HydrophobicContact CG1-CB 4.36Å; E893-K897 PolarHBondContact O-N 3.23Å; E893-K897 VanDerWaalsContact O-N 3.08Å; I894-K897 PolarHBondContact O-N 2.92Å; I894-K897 VanDerWaalsContact O-N 3.15Å; K897-G899 VanDerWaalsContact C-N 3.27Å; K897-G899 PolarHBondContact O-N 3.37Å; K897-G900 WeakPolarHBondContact O-CA 3.39Å; K897-G900 PolarHBondContact O-N 2.89Å; K897-A901 PolarHBondContact O-N 3.42Å
898	L	79.7	Confident	78.1	Confident	34 Å²	34	77.2 Å²	77.2	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-41.2	173.5	-173.9	66.1	0	0	0	110.6	M256 V259 E260 L263 I894 G900 A901 N902	M256-L898 HydrophobicContact CG-CD1 3.96Å; V259-L898 HydrophobicContact CB-CD1 4.12Å; V259-L898 HydrophobicContact CG1-CB 3.87Å; V259-L898 HydrophobicContact CG1-CD1 4.04Å; E260-L898 HydrophobicContact CB-CD1 4.33Å; L263-L898 HydrophobicContact CD2-CD2 3.68Å; I894-L898 WeakPolarHBondContact O-CB 3.49Å; I894-L898 PolarHBondContact O-N 3.39Å; L898-G900 VanDerWaalsContact C-N 3.29Å; L898-G900 PolarHBondContact O-N 3.49Å; L898-A901 PolarHBondContact O-N 2.91Å; L898-N902 WeakPolarHBondContact O-CB 3.29Å; L898-N902 PolarHBondContact O-N 3.17Å
899	G	75.6	Confident	77.4	Confident	28 Å²	28	76.8 Å²	76.8	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-32.1	174.3	0	0	0	0	0	113.6	R895 K896 K897 K903	R895-G899 PolarHBondContact O-N 2.76Å; K896-G899 PolarHBondContact O-N 2.87Å; K897-G899 VanDerWaalsContact C-N 3.27Å; K897-G899 PolarHBondContact O-N 3.37Å; G899-K903 WeakPolarHBondContact O-CB 3.39Å; G899-K903 WeakPolarHBondContact O-CD 3.28Å; G899-K903 WeakPolarHBondContact O-CG 3.36Å; G899-K903 PolarHBondContact O-N 3.34Å
900	G	78.1	Confident	76.8	Confident	31 Å²	31	77 Å²	77	32%	0.32	37%	0.373	S	S	.	.	H	α-helix	trans	-69.5	-54.7	173.2	0	0	0	0	0	112.6	K896 K897 L898 N902 K903 E904	K896-G900 PolarHBondContact O-N 3.5Å; K897-G900 WeakPolarHBondContact O-CA 3.39Å; K897-G900 PolarHBondContact O-N 2.89Å; L898-G900 VanDerWaalsContact C-N 3.29Å; L898-G900 PolarHBondContact O-N 3.49Å; G900-N902 VanDerWaalsContact C-N 3.28Å; G900-N902 PolarHBondContact O-N 2.86Å; G900-K903 WeakPolarHBondContact O-CB 3.44Å; G900-K903 PolarHBondContact O-N 3.09Å; G900-E904 PolarHBondContact O-N 2.84Å
901	A	76.4	Confident	76.2	Confident	26 Å²	26	77.2 Å²	77.2	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-39	177.3	0	0	0	0	0	112	K897 L898 K903 E904 L905	K897-A901 PolarHBondContact O-N 3.42Å; L898-A901 PolarHBondContact O-N 2.91Å; A901-K903 VanDerWaalsContact C-N 3.34Å; A901-K903 PolarHBondContact O-N 3.38Å; A901-E904 PolarHBondContact O-N 2.79Å; A901-L905 WeakPolarHBondContact O-CB 3Å; A901-L905 PolarHBondContact O-N 3Å
902	N	74.1	Confident	75.8	Confident	69 Å²	69	77.1 Å²	77.1	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-66.5	-33.6	175	-169.2	28	0	0	0	111.6	L898 G900 T906	L898-N902 WeakPolarHBondContact O-CB 3.29Å; L898-N902 PolarHBondContact O-N 3.17Å; G900-N902 VanDerWaalsContact C-N 3.28Å; G900-N902 PolarHBondContact O-N 2.86Å; N902-T906 WeakPolarHBondContact O-CA 3.39Å; N902-T906 WeakPolarHBondContact O-CB 3.19Å; N902-T906 PolarHBondContact O-N 2.93Å; N902-T906 PolarHBondContact O-OG1 2.97Å; N902-T906 PolarHBondContact OD1-OG1 3.06Å
903	K	73.6	Confident	75.1	Confident	154 Å²	154	75 Å²	75	67%	0.67	37%	0.368	S	S	*	.	H	α-helix	trans	-64.7	-43.9	175	-82.6	169	-175.4	-174.5	0	112.3	G899 G900 A901 T906 Q907	G899-K903 WeakPolarHBondContact O-CB 3.39Å; G899-K903 WeakPolarHBondContact O-CD 3.28Å; G899-K903 WeakPolarHBondContact O-CG 3.36Å; G899-K903 PolarHBondContact O-N 3.34Å; G900-K903 WeakPolarHBondContact O-CB 3.44Å; G900-K903 PolarHBondContact O-N 3.09Å; A901-K903 VanDerWaalsContact C-N 3.34Å; A901-K903 PolarHBondContact O-N 3.38Å; K903-T906 PolarHBondContact O-N 3.34Å; K903-Q907 WeakPolarHBondContact O-CB 3.36Å; K903-Q907 PolarHBondContact O-N 3.28Å
904	E	74.2	Confident	74.5	Confident	123 Å²	123	71.8 Å²	71.8	58%	0.575	36%	0.361	S	S	*	.	H	α-helix	trans	-64.8	-47.4	178.2	-68.5	175.2	-176.4	0	0	111	G900 A901 T906 Q907 L908	G900-E904 PolarHBondContact O-N 2.84Å; A901-E904 PolarHBondContact O-N 2.79Å; E904-T906 VanDerWaalsContact C-N 3.35Å; E904-T906 PolarHBondContact O-N 2.86Å; E904-Q907 WeakPolarHBondContact O-CB 3.38Å; E904-Q907 PolarHBondContact O-N 3.03Å; E904-Q907 VanDerWaalsContact O-N 3.16Å; E904-L908 PolarHBondContact O-N 3.28Å
905	L	75.3	Confident	73.9	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-42.1	174.4	-173	66.9	0	0	0	111.6	I249 D252 R253 M256 A901 Q907 L908 Q909	I249-L905 HydrophobicContact CG2-CD1 4.01Å; D252-L905 HydrophobicContact CB-CD1 3.86Å; R253-L905 HydrophobicContact CB-CD1 4.28Å; R253-L905 HydrophobicContact CB-CD2 4.46Å; M256-L905 HydrophobicContact CB-CD2 4.42Å; M256-L905 HydrophobicContact CE-CD2 4.06Å; M256-L905 HydrophobicContact SD-CD2 3.54Å; M256-L905 VanDerWaalsContact SD-CD2 3.54Å; A901-L905 WeakPolarHBondContact O-CB 3Å; A901-L905 PolarHBondContact O-N 3Å; L905-Q907 VanDerWaalsContact C-N 3.27Å; L905-Q907 PolarHBondContact O-N 3.17Å; L905-L908 PolarHBondContact O-N 3.01Å; L905-Q909 HydrophobicContact CG-CG 4.39Å; L905-Q909 WeakPolarHBondContact O-CB 3.32Å; L905-Q909 VanDerWaalsContact O-CG 3.3Å; L905-Q909 WeakPolarHBondContact O-CG 2.94Å; L905-Q909 PolarHBondContact O-N 3.45Å; L905-Q909 PolarHBondContact O-OE1 3.37Å
906	T	68.9	Low	73.5	Confident	42 Å²	42	68.9 Å²	68.9	26%	0.258	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-29.3	176.5	-64.7	0	0	0	0	111.5	N902 K903 E904 K910	N902-T906 WeakPolarHBondContact O-CA 3.39Å; N902-T906 WeakPolarHBondContact O-CB 3.19Å; N902-T906 PolarHBondContact O-N 2.93Å; N902-T906 PolarHBondContact O-OG1 2.97Å; N902-T906 PolarHBondContact OD1-OG1 3.06Å; K903-T906 PolarHBondContact O-N 3.34Å; E904-T906 VanDerWaalsContact C-N 3.35Å; E904-T906 PolarHBondContact O-N 2.86Å; T906-K910 HydrophobicContact CG2-CD 4.03Å; T906-K910 HydrophobicContact CG2-CG 4.21Å; T906-K910 WeakPolarHBondContact O-CB 3.04Å; T906-K910 WeakPolarHBondContact O-CD 3.2Å; T906-K910 WeakPolarHBondContact O-CG 3.47Å; T906-K910 PolarHBondContact O-N 3.43Å
907	Q	73.8	Confident	72.6	Confident	118 Å²	118	64 Å²	64	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-68.1	-51.1	176	-170.2	99.2	12.4	0	0	110.5	K903 E904 L905 K910 E911	K903-Q907 WeakPolarHBondContact O-CB 3.36Å; K903-Q907 PolarHBondContact O-N 3.28Å; E904-Q907 WeakPolarHBondContact O-CB 3.38Å; E904-Q907 PolarHBondContact O-N 3.03Å; E904-Q907 VanDerWaalsContact O-N 3.16Å; L905-Q907 VanDerWaalsContact C-N 3.27Å; L905-Q907 PolarHBondContact O-N 3.17Å; Q907-K910 WeakPolarHBondContact O-CB 3.42Å; Q907-K910 PolarHBondContact O-N 2.93Å; Q907-K910 VanDerWaalsContact O-N 3.15Å; Q907-E911 PolarHBondContact O-N 3.01Å; Q907-E911 VanDerWaalsContact O-N 3.11Å
908	L	72.3	Confident	72.2	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.199	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-39.3	177.6	-72.3	169.7	0	0	0	111.8	E248 I249 D252 E904 L905 E911 V912	E248-L908 HydrophobicContact CB-CD1 4.5Å; I249-L908 HydrophobicContact CG1-CB 4.1Å; D252-L908 WeakPolarHBondContact OD2-CD1 3.5Å; E904-L908 PolarHBondContact O-N 3.28Å; L905-L908 PolarHBondContact O-N 3.01Å; L908-E911 PolarHBondContact O-N 3.39Å; L908-V912 PolarHBondContact O-N 3.44Å
909	Q	69.2	Low	71.8	Confident	60 Å²	60	61.8 Å²	61.8	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-41.4	168.6	-79.1	165.7	-18.6	0	0	111.1	I249 L905 E911 V912 T913	I249-Q909 HydrophobicContact CD1-CB 4.29Å; I249-Q909 HydrophobicContact CD1-CG 3.63Å; I249-Q909 HydrophobicContact CG1-CG 4.14Å; I249-Q909 HydrophobicContact CG2-CG 4.11Å; L905-Q909 HydrophobicContact CG-CG 4.39Å; L905-Q909 WeakPolarHBondContact O-CB 3.32Å; L905-Q909 VanDerWaalsContact O-CG 3.3Å; L905-Q909 WeakPolarHBondContact O-CG 2.94Å; L905-Q909 PolarHBondContact O-N 3.45Å; L905-Q909 PolarHBondContact O-OE1 3.37Å; Q909-E911 PolarHBondContact O-N 2.94Å; Q909-V912 PolarHBondContact O-N 2.9Å; Q909-T913 VanDerWaalsContact O-CA 3.32Å; Q909-T913 WeakPolarHBondContact O-CA 3.35Å; Q909-T913 WeakPolarHBondContact O-CB 3.45Å; Q909-T913 PolarHBondContact O-N 2.83Å; Q909-T913 PolarHBondContact O-OG1 3.38Å
910	K	69.3	Low	71.4	Confident	132 Å²	132	64.2 Å²	64.2	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-31.9	175.6	-84.8	165.7	179.2	171.9	0	112.8	T906 Q907 A914	T906-K910 HydrophobicContact CG2-CD 4.03Å; T906-K910 HydrophobicContact CG2-CG 4.21Å; T906-K910 WeakPolarHBondContact O-CB 3.04Å; T906-K910 WeakPolarHBondContact O-CD 3.2Å; T906-K910 WeakPolarHBondContact O-CG 3.47Å; T906-K910 PolarHBondContact O-N 3.43Å; Q907-K910 WeakPolarHBondContact O-CB 3.42Å; Q907-K910 PolarHBondContact O-N 2.93Å; Q907-K910 VanDerWaalsContact O-N 3.15Å; K910-A914 WeakPolarHBondContact O-CA 3.35Å; K910-A914 WeakPolarHBondContact O-CB 3.44Å; K910-A914 PolarHBondContact O-N 3.33Å
911	E	72.3	Confident	70.9	Confident	70 Å²	70	67.5 Å²	67.5	33%	0.327	34%	0.338	S	S	.	.	H	α-helix	trans	-77.9	-42.8	178.6	-70.2	177.8	-154.9	0	0	111.7	R245 Q907 L908 Q909 A914 I915	R245-E911 IonicContact CZ-OE2 3.32Å; R245-E911 IonicContact NH1-OE2 3.55Å; R245-E911 PolarHBondContact NH1-OE2 3.48Å; R245-E911 IonicContact NH2-OE2 2.81Å; R245-E911 PolarHBondContact NH2-OE2 3.04Å; Q907-E911 PolarHBondContact O-N 3.01Å; Q907-E911 VanDerWaalsContact O-N 3.11Å; L908-E911 PolarHBondContact O-N 3.39Å; Q909-E911 PolarHBondContact O-N 2.94Å; E911-A914 PolarHBondContact O-N 2.94Å; E911-I915 WeakPolarHBondContact O-CG1 3.29Å; E911-I915 PolarHBondContact O-N 2.96Å
912	V	74.6	Confident	70.7	Confident	3 Å²	3	69 Å²	69	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-54.5	169.2	165.3	0	0	0	0	110.4	R245 N246 I249 L908 Q909 A914 I915 E916	R245-V912 VanDerWaalsContact C-CG2 3.4Å; R245-V912 HydrophobicContact CB-CB 4.48Å; R245-V912 HydrophobicContact CB-CG2 3.27Å; R245-V912 WeakPolarHBondContact O-CG2 3.49Å; N246-V912 WeakPolarHBondContact OD1-CG1 3.45Å; I249-V912 HydrophobicContact CD1-CB 3.58Å; I249-V912 HydrophobicContact CD1-CG1 3.92Å; I249-V912 HydrophobicContact CD1-CG2 3.35Å; I249-V912 HydrophobicContact CG1-CG2 4.17Å; L908-V912 PolarHBondContact O-N 3.44Å; Q909-V912 PolarHBondContact O-N 2.9Å; V912-A914 PolarHBondContact O-N 3.26Å; V912-I915 CarbonylContact O-C 3.56Å; V912-I915 PolarHBondContact O-N 3.49Å; V912-E916 HydrophobicContact CG1-CG 3.97Å; V912-E916 WeakPolarHBondContact CG1-OE1 3.15Å; V912-E916 WeakPolarHBondContact CG1-OE2 3.24Å; V912-E916 WeakPolarHBondContact O-CB 3.22Å; V912-E916 PolarHBondContact O-N 3.34Å
913	T	65.8	Low	70.6	Confident	64 Å²	64	70.1 Å²	70.1	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-24.6	174.2	-53.6	0	0	0	0	110.8	Q909 T917	Q909-T913 VanDerWaalsContact O-CA 3.32Å; Q909-T913 WeakPolarHBondContact O-CA 3.35Å; Q909-T913 WeakPolarHBondContact O-CB 3.45Å; Q909-T913 PolarHBondContact O-N 2.83Å; Q909-T913 PolarHBondContact O-OG1 3.38Å; T913-T917 VanDerWaalsContact CG2-OG1 3.27Å; T913-T917 WeakPolarHBondContact CG2-OG1 3.42Å; T913-T917 WeakPolarHBondContact O-CA 3.48Å; T913-T917 WeakPolarHBondContact O-CB 3.46Å; T913-T917 PolarHBondContact O-N 3.32Å; T913-T917 PolarHBondContact O-OG1 3.36Å
914	A	69.3	Low	69.9	Low	47 Å²	47	63.9 Å²	63.9	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-72.3	-35.3	172.4	0	0	0	0	0	111.8	K910 E911 V912 K918	K910-A914 WeakPolarHBondContact O-CA 3.35Å; K910-A914 WeakPolarHBondContact O-CB 3.44Å; K910-A914 PolarHBondContact O-N 3.33Å; E911-A914 PolarHBondContact O-N 2.94Å; V912-A914 PolarHBondContact O-N 3.26Å; A914-K918 WeakPolarHBondContact O-CB 3.46Å; A914-K918 VanDerWaalsContact O-CG 3.22Å; A914-K918 WeakPolarHBondContact O-CG 3.28Å; A914-K918 PolarHBondContact O-N 3.38Å
915	I	71.9	Confident	69.8	Low	30 Å²	30	60.5 Å²	60.5	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-81.5	-43.7	178.2	-61.1	168.8	0	0	0	110.2	E241 L242 R245 E911 V912 T917 K918 L919	E241-I915 HydrophobicContact CB-CD1 4.39Å; E241-I915 HydrophobicContact CB-CG2 3.79Å; L242-I915 HydrophobicContact CB-CG2 4.45Å; L242-I915 HydrophobicContact CD1-CB 4.46Å; L242-I915 HydrophobicContact CD1-CG2 3.89Å; R245-I915 HydrophobicContact CG-CD1 4.15Å; E911-I915 WeakPolarHBondContact O-CG1 3.29Å; E911-I915 PolarHBondContact O-N 2.96Å; V912-I915 CarbonylContact O-C 3.56Å; V912-I915 PolarHBondContact O-N 3.49Å; I915-T917 VanDerWaalsContact C-N 3.35Å; I915-K918 PolarHBondContact O-N 2.97Å; I915-K918 VanDerWaalsContact O-N 3.17Å; I915-L919 WeakPolarHBondContact O-CB 3.36Å; I915-L919 PolarHBondContact O-N 2.61Å
916	E	69.3	Low	69.7	Low	63 Å²	63	62.7 Å²	62.7	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-42.4	170.8	-78.1	177.6	173.7	0	0	109.8	L242 N246 V912 L919 E920	L242-E916 HydrophobicContact CD1-CB 3.8Å; L242-E916 HydrophobicContact CD1-CG 3.11Å; L242-E916 HydrophobicContact CD2-CG 3.7Å; L242-E916 HydrophobicContact CG-CG 3.48Å; L242-E916 VanDerWaalsContact CG-CG 3.48Å; N246-E916 PolarHBondContact ND2-OE1 3.26Å; V912-E916 HydrophobicContact CG1-CG 3.97Å; V912-E916 WeakPolarHBondContact CG1-OE1 3.15Å; V912-E916 WeakPolarHBondContact CG1-OE2 3.24Å; V912-E916 WeakPolarHBondContact O-CB 3.22Å; V912-E916 PolarHBondContact O-N 3.34Å; E916-L919 PolarHBondContact O-N 2.96Å; E916-E920 VanDerWaalsContact O-CA 3.28Å; E916-E920 WeakPolarHBondContact O-CA 3.29Å; E916-E920 WeakPolarHBondContact O-CB 3.48Å; E916-E920 PolarHBondContact O-N 2.82Å
917	T	62	Low	69.8	Low	71 Å²	71	61.8 Å²	61.8	44%	0.436	30%	0.302	S	S	.	.	H	α-helix	trans	-70.3	-32.2	173.7	-58	0	0	0	0	110	T913 I915 Q921	T913-T917 VanDerWaalsContact CG2-OG1 3.27Å; T913-T917 WeakPolarHBondContact CG2-OG1 3.42Å; T913-T917 WeakPolarHBondContact O-CA 3.48Å; T913-T917 WeakPolarHBondContact O-CB 3.46Å; T913-T917 PolarHBondContact O-N 3.32Å; T913-T917 PolarHBondContact O-OG1 3.36Å; I915-T917 VanDerWaalsContact C-N 3.35Å; T917-Q921 HydrophobicContact CG2-CB 4.5Å; T917-Q921 WeakPolarHBondContact O-CA 3.25Å; T917-Q921 WeakPolarHBondContact O-CB 3.31Å; T917-Q921 PolarHBondContact O-N 3.48Å
918	K	71.6	Confident	69.2	Low	122 Å²	122	59.4 Å²	59.4	53%	0.53	29%	0.293	S	S	.	.	H	α-helix	trans	-69.8	-42.8	173.3	-80.7	175.2	-177	-177.3	0	111.5	L238 A914 I915 Q921 K922	L238-K918 HydrophobicContact CD1-CB 3.97Å; L238-K918 WeakPolarHBondContact CD1-O 3.47Å; L238-K918 HydrophobicContact CD2-CB 3.75Å; L238-K918 HydrophobicContact CD2-CD 4.29Å; L238-K918 HydrophobicContact CG-CB 4.46Å; A914-K918 WeakPolarHBondContact O-CB 3.46Å; A914-K918 VanDerWaalsContact O-CG 3.22Å; A914-K918 WeakPolarHBondContact O-CG 3.28Å; A914-K918 PolarHBondContact O-N 3.38Å; I915-K918 PolarHBondContact O-N 2.97Å; I915-K918 VanDerWaalsContact O-N 3.17Å; K918-Q921 CarbonylContact O-C 3.48Å; K918-Q921 PolarHBondContact O-N 3.47Å; K918-K922 WeakPolarHBondContact O-CG 3.2Å; K918-K922 PolarHBondContact O-N 3.38Å
919	L	71.2	Confident	69.1	Low	6 Å²	6	58.3 Å²	58.3	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-52.2	-178.4	173.7	63.5	0	0	0	111.6	I235 L238 N239 L242 I915 E916 Q921 K922 R923	I235-L919 HydrophobicContact CG2-CD1 4.35Å; I235-L919 WeakPolarHBondContact O-CD1 3.45Å; L238-L919 HydrophobicContact CB-CB 3.67Å; L238-L919 HydrophobicContact CB-CD1 3.62Å; L238-L919 HydrophobicContact CB-CG 4.22Å; N239-L919 HydrophobicContact CB-CD1 4.26Å; N239-L919 HydrophobicContact CB-CD2 4.36Å; N239-L919 VanDerWaalsContact CG-CD1 3.47Å; N239-L919 WeakPolarHBondContact ND2-CD1 3.45Å; N239-L919 VanDerWaalsContact OD1-CD2 3.27Å; N239-L919 WeakPolarHBondContact OD1-CD2 3.5Å; L242-L919 HydrophobicContact CD1-CB 4.21Å; L242-L919 HydrophobicContact CD1-CD2 3.57Å; L242-L919 HydrophobicContact CD2-CD2 4.39Å; L242-L919 HydrophobicContact CG-CD2 4.44Å; I915-L919 WeakPolarHBondContact O-CB 3.36Å; I915-L919 PolarHBondContact O-N 2.61Å; E916-L919 PolarHBondContact O-N 2.96Å; L919-Q921 VanDerWaalsContact C-N 3.31Å; L919-K922 CarbonylContact O-C 3.54Å; L919-K922 PolarHBondContact O-N 2.97Å; L919-R923 PolarHBondContact O-N 2.9Å
920	E	66.9	Low	69	Low	79 Å²	79	55.5 Å²	55.5	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-37.7	171.4	-166	59.5	-151.9	0	0	108.4	E916 K922 R923 S924	E916-E920 VanDerWaalsContact O-CA 3.28Å; E916-E920 WeakPolarHBondContact O-CA 3.29Å; E916-E920 WeakPolarHBondContact O-CB 3.48Å; E916-E920 PolarHBondContact O-N 2.82Å; E920-K922 PolarHBondContact O-N 3.31Å; E920-R923 CarbonylContact O-C 3.55Å; E920-R923 PolarHBondContact O-N 3.21Å; E920-S924 WeakPolarHBondContact O-CA 3.39Å; E920-S924 WeakPolarHBondContact O-CB 3.35Å; E920-S924 PolarHBondContact O-N 3.35Å
921	Q	66.4	Low	68.7	Low	99 Å²	99	51.6 Å²	51.6	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-32.8	173	175.8	174.3	20.3	0	0	110.4	T917 K918 L919 D925	T917-Q921 HydrophobicContact CG2-CB 4.5Å; T917-Q921 WeakPolarHBondContact O-CA 3.25Å; T917-Q921 WeakPolarHBondContact O-CB 3.31Å; T917-Q921 PolarHBondContact O-N 3.48Å; K918-Q921 CarbonylContact O-C 3.48Å; K918-Q921 PolarHBondContact O-N 3.47Å; L919-Q921 VanDerWaalsContact C-N 3.31Å; Q921-D925 VanDerWaalsContact O-CA 3.25Å; Q921-D925 WeakPolarHBondContact O-CA 3.29Å; Q921-D925 WeakPolarHBondContact O-CB 3.35Å; Q921-D925 PolarHBondContact O-N 2.95Å; Q921-D925 VanDerWaalsContact O-OD1 3.05Å; Q921-D925 VanDerWaalsContact O-OD2 3.07Å
922	K	72.3	Confident	68.2	Low	58 Å²	58	49.1 Å²	49.1	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-79.1	-46.7	172.2	-64.7	-70	-178.2	166.1	0	111.3	N231 E234 I235 L238 K918 L919 E920 S924 D925 R926	N231-K922 PolarHBondContact OD1-O 3.01Å; E234-K922 HydrophobicContact CB-CD 3.99Å; E234-K922 HydrophobicContact CB-CG 4.16Å; E234-K922 HydrophobicContact CG-CD 3.9Å; E234-K922 HydrophobicContact CG-CG 3.86Å; I235-K922 HydrophobicContact CB-CB 4.46Å; I235-K922 HydrophobicContact CD1-CB 4.48Å; I235-K922 WeakPolarHBondContact CD1-O 3.5Å; I235-K922 VanDerWaalsContact CG1-C 3.43Å; I235-K922 HydrophobicContact CG1-CB 3.44Å; I235-K922 VanDerWaalsContact CG1-CB 3.44Å; L238-K922 HydrophobicContact CD1-CB 4.5Å; L238-K922 HydrophobicContact CD1-CG 4.01Å; K918-K922 WeakPolarHBondContact O-CG 3.2Å; K918-K922 PolarHBondContact O-N 3.38Å; L919-K922 CarbonylContact O-C 3.54Å; L919-K922 PolarHBondContact O-N 2.97Å; E920-K922 PolarHBondContact O-N 3.31Å; K922-S924 VanDerWaalsContact C-N 3.29Å; K922-S924 PolarHBondContact O-N 3.34Å; K922-D925 PolarHBondContact O-N 3.25Å; K922-R926 PolarHBondContact O-N 3.4Å
923	R	71.9	Confident	67.6	Low	92 Å²	92	49 Å²	49	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-38.6	177.3	-75.3	-180	163.1	164.9	-3.4	113.9	I235 N239 L919 E920 H927	I235-R923 HydrophobicContact CB-CG 4.23Å; I235-R923 HydrophobicContact CD1-CB 4.34Å; I235-R923 HydrophobicContact CD1-CG 3.86Å; I235-R923 HydrophobicContact CG1-CG 3.9Å; I235-R923 HydrophobicContact CG2-CG 3.34Å; N239-R923 VanDerWaalsContact CG-NH2 3.27Å; N239-R923 VanDerWaalsContact ND2-CZ 3.3Å; N239-R923 PolarHBondContact ND2-NH2 2.98Å; N239-R923 PolarHBondContact OD1-NH1 2.95Å; N239-R923 PolarHBondContact OD1-NH2 3.42Å; L919-R923 PolarHBondContact O-N 2.9Å; E920-R923 CarbonylContact O-C 3.55Å; E920-R923 PolarHBondContact O-N 3.21Å; R923-H927 WeakPolarHBondContact O-CA 3.42Å; R923-H927 WeakPolarHBondContact O-CB 3.44Å; R923-H927 PolarHBondContact O-N 3.37Å
924	S	60.1	Low	67.5	Low	24 Å²	24	48.3 Å²	48.3	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-74.1	-36.7	168.7	-163.8	0	0	0	0	110.2	E920 K922 R926 H927 N928	E920-S924 WeakPolarHBondContact O-CA 3.39Å; E920-S924 WeakPolarHBondContact O-CB 3.35Å; E920-S924 PolarHBondContact O-N 3.35Å; K922-S924 VanDerWaalsContact C-N 3.29Å; K922-S924 PolarHBondContact O-N 3.34Å; S924-R926 PolarHBondContact O-N 3.11Å; S924-H927 CarbonylContact O-C 3.59Å; S924-H927 PolarHBondContact O-N 3.26Å; S924-N928 WeakPolarHBondContact O-CA 3.09Å; S924-N928 WeakPolarHBondContact O-CB 3.47Å; S924-N928 PolarHBondContact O-N 3.37Å; S924-N928 PolarHBondContact O-ND2 2.91Å; S924-N928 PolarHBondContact O-OD1 3.47Å; S924-N928 PolarHBondContact OG-ND2 3.49Å; S924-N928 PolarHBondContact OG-OD1 2.92Å
925	D	71.3	Confident	66.7	Low	51 Å²	51	52.9 Å²	52.9	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-41.4	172.8	-79.5	-18.7	0	0	0	108.6	N231 Q921 K922 N928 L929	N231-D925 WeakPolarHBondContact ND2-CB 3.49Å; N231-D925 PolarHBondContact ND2-OD2 2.84Å; Q921-D925 VanDerWaalsContact O-CA 3.25Å; Q921-D925 WeakPolarHBondContact O-CA 3.29Å; Q921-D925 WeakPolarHBondContact O-CB 3.35Å; Q921-D925 PolarHBondContact O-N 2.95Å; Q921-D925 VanDerWaalsContact O-OD1 3.05Å; Q921-D925 VanDerWaalsContact O-OD2 3.07Å; K922-D925 PolarHBondContact O-N 3.25Å; D925-N928 CarbonylContact O-C 3.57Å; D925-L929 WeakPolarHBondContact O-CA 3.44Å; D925-L929 WeakPolarHBondContact O-CB 3.34Å; D925-L929 WeakPolarHBondContact O-CD1 3.47Å; D925-L929 WeakPolarHBondContact O-CG 3.37Å; D925-L929 PolarHBondContact O-N 3.02Å
926	R	73.4	Confident	65.9	Low	47 Å²	47	55.6 Å²	55.6	18%	0.177	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-50.6	172.2	171.3	-168.7	173.3	-179.5	-15.5	113.4	L228 N231 E232 I235 K922 S924 L929 L930	L228-R926 HydrophobicContact CD2-CG 4.41Å; L228-R926 VanDerWaalsContact CD2-O 3.27Å; L228-R926 WeakPolarHBondContact CD2-O 3.39Å; N231-R926 HydrophobicContact CB-CB 4.32Å; N231-R926 VanDerWaalsContact OD1-CB 3.24Å; N231-R926 WeakPolarHBondContact OD1-CB 3.48Å; N231-R926 PolarHBondContact OD1-N 3.39Å; N231-R926 VanDerWaalsContact OD1-N 3.12Å; E232-R926 HydrophobicContact CG-CG 3.87Å; E232-R926 IonicContact OE1-CZ 2.73Å; E232-R926 IonicContact OE1-NE 3.91Å; E232-R926 PolarHBondContact OE1-NE 3.03Å; E232-R926 IonicContact OE1-NH2 3.97Å; I235-R926 HydrophobicContact CD1-CB 3.91Å; I235-R926 HydrophobicContact CD1-CG 4.38Å; K922-R926 PolarHBondContact O-N 3.4Å; S924-R926 PolarHBondContact O-N 3.11Å; R926-L929 PolarHBondContact O-N 3.28Å; R926-L929 VanDerWaalsContact O-N 3.12Å; R926-L930 WeakPolarHBondContact O-CB 3.44Å; R926-L930 PolarHBondContact O-N 3.25Å
927	H	69.9	Low	65.2	Low	23 Å²	23	58.9 Å²	58.9	11%	0.106	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-56.2	175	171.4	76.3	0	0	0	109.3	R923 S924 L929 L930 Q931 L972 E975	R923-H927 WeakPolarHBondContact O-CA 3.42Å; R923-H927 WeakPolarHBondContact O-CB 3.44Å; R923-H927 PolarHBondContact O-N 3.37Å; S924-H927 CarbonylContact O-C 3.59Å; S924-H927 PolarHBondContact O-N 3.26Å; H927-L929 PolarHBondContact O-N 3.41Å; H927-L929 VanDerWaalsContact O-N 3.1Å; H927-L930 CarbonylContact O-C 3.52Å; H927-L930 WeakPolarHBondContact O-CA 3.21Å; H927-L930 WeakPolarHBondContact O-CB 3.41Å; H927-L930 PolarHBondContact O-N 3.01Å; H927-Q931 PolarHBondContact CD2-OE1 2.76Å; H927-Q931 PolarHBondContact NE2-NE2 3.14Å; H927-Q931 PolarHBondContact NE2-OE1 3.48Å; H927-Q931 VanDerWaalsContact NE2-OE1 3.14Å; H927-Q931 VanDerWaalsContact O-CA 3.24Å; H927-Q931 WeakPolarHBondContact O-CA 3.44Å; H927-Q931 WeakPolarHBondContact O-CB 3.47Å; H927-Q931 PolarHBondContact O-N 3.4Å; H927-L972 HydrophobicContact CB-CD2 3.64Å; H927-E975 IonicContact CE1-OE1 3.86Å; H927-E975 PolarHBondContact CE1-OE1 3.36Å; H927-E975 IonicContact CE1-OE2 2.84Å; H927-E975 IonicContact CG-OE2 3.33Å; H927-E975 IonicContact ND1-OE1 2.87Å; H927-E975 PolarHBondContact ND1-OE1 2.92Å; H927-E975 IonicContact ND1-OE2 3.54Å; H927-E975 PolarHBondContact ND1-OE2 2.97Å
928	N	62.2	Low	65.2	Low	68 Å²	68	55.7 Å²	55.7	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-55.5	-18.5	168.7	-57.3	-26.6	0	0	0	114.1	S924 D925 A932	S924-N928 WeakPolarHBondContact O-CA 3.09Å; S924-N928 WeakPolarHBondContact O-CB 3.47Å; S924-N928 PolarHBondContact O-N 3.37Å; S924-N928 PolarHBondContact O-ND2 2.91Å; S924-N928 PolarHBondContact O-OD1 3.47Å; S924-N928 PolarHBondContact OG-ND2 3.49Å; S924-N928 PolarHBondContact OG-OD1 2.92Å; D925-N928 CarbonylContact O-C 3.57Å; N928-A932 VanDerWaalsContact C-N 3.34Å; N928-A932 WeakPolarHBondContact O-CA 3.3Å; N928-A932 WeakPolarHBondContact O-CB 3.48Å; N928-A932 PolarHBondContact O-N 3.46Å
929	L	70.3	Confident	65	Low	16 Å²	16	60.2 Å²	60.2	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-83.9	-43.8	170.6	-77.5	162.4	0	0	0	109.7	Q224 K227 L228 N231 D925 R926 H927 Q931 C933	Q224-L929 HydrophobicContact CB-CD2 4.48Å; K227-L929 VanDerWaalsContact C-CD1 3.46Å; K227-L929 HydrophobicContact CB-CD1 3.49Å; K227-L929 VanDerWaalsContact CB-CD1 3.49Å; K227-L929 HydrophobicContact CB-CD2 3.47Å; K227-L929 VanDerWaalsContact CB-CD2 3.47Å; K227-L929 HydrophobicContact CB-CG 4.12Å; K227-L929 HydrophobicContact CD-CD2 3.66Å; K227-L929 HydrophobicContact CG-CD2 4.22Å; K227-L929 WeakPolarHBondContact O-CD1 3.5Å; L228-L929 HydrophobicContact CD1-CB 4.03Å; L228-L929 HydrophobicContact CD2-CB 3.31Å; L228-L929 HydrophobicContact CD2-CD1 4.19Å; L228-L929 HydrophobicContact CD2-CG 4.4Å; L228-L929 HydrophobicContact CG-CB 3.42Å; L228-L929 VanDerWaalsContact CG-CB 3.42Å; L228-L929 HydrophobicContact CG-CD1 4.12Å; L228-L929 HydrophobicContact CG-CG 4.34Å; N231-L929 HydrophobicContact CB-CD1 4.36Å; D925-L929 WeakPolarHBondContact O-CA 3.44Å; D925-L929 WeakPolarHBondContact O-CB 3.34Å; D925-L929 WeakPolarHBondContact O-CD1 3.47Å; D925-L929 WeakPolarHBondContact O-CG 3.37Å; D925-L929 PolarHBondContact O-N 3.02Å; R926-L929 PolarHBondContact O-N 3.28Å; R926-L929 VanDerWaalsContact O-N 3.12Å; H927-L929 PolarHBondContact O-N 3.41Å; H927-L929 VanDerWaalsContact O-N 3.1Å; L929-Q931 VanDerWaalsContact C-N 3.35Å; L929-C933 WeakPolarHBondContact O-CB 3Å; L929-C933 PolarHBondContact O-N 3.32Å; L929-C933 PolarHBondContact O-SG 3.37Å
930	L	67.9	Low	65	Low	1 Å²	1	60.9 Å²	60.9	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-38.5	172.8	-84.1	168.4	0	0	0	113	L228 R926 H927 C933 K934 L940 M947 I950 I980	L228-L930 HydrophobicContact CD1-CD2 4.21Å; L228-L930 HydrophobicContact CD1-CG 4.22Å; L228-L930 HydrophobicContact CD2-CB 4.46Å; L228-L930 HydrophobicContact CD2-CD1 4.33Å; L228-L930 HydrophobicContact CD2-CD2 4.49Å; L228-L930 HydrophobicContact CD2-CG 3.69Å; R926-L930 WeakPolarHBondContact O-CB 3.44Å; R926-L930 PolarHBondContact O-N 3.25Å; H927-L930 CarbonylContact O-C 3.52Å; H927-L930 WeakPolarHBondContact O-CA 3.21Å; H927-L930 WeakPolarHBondContact O-CB 3.41Å; H927-L930 PolarHBondContact O-N 3.01Å; L930-C933 WeakPolarHBondContact O-CB 3.33Å; L930-C933 PolarHBondContact O-N 2.98Å; L930-K934 PolarHBondContact O-N 3.48Å; L930-L940 HydrophobicContact CD2-CD1 3.83Å; L930-M947 HydrophobicContact CD2-SD 4.48Å; L930-M947 VanDerWaalsContact O-CE 3.3Å; L930-M947 WeakPolarHBondContact O-CE 3.45Å; L930-I950 HydrophobicContact CB-CD1 4.27Å; L930-I980 HydrophobicContact CD1-CD1 4.08Å; L930-I980 HydrophobicContact CD2-CD1 3.26Å; L930-I980 HydrophobicContact CD2-CG1 3.87Å; L930-I980 HydrophobicContact CG-CD1 3.78Å
931	Q	61.4	Low	65.2	Low	49 Å²	49	58.6 Å²	58.6	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-89	-33.9	-178.4	-159.7	-151.4	27.5	0	0	109.1	H927 L929 C933 K934 M935 I950	H927-Q931 PolarHBondContact CD2-OE1 2.76Å; H927-Q931 PolarHBondContact NE2-NE2 3.14Å; H927-Q931 PolarHBondContact NE2-OE1 3.48Å; H927-Q931 VanDerWaalsContact NE2-OE1 3.14Å; H927-Q931 VanDerWaalsContact O-CA 3.24Å; H927-Q931 WeakPolarHBondContact O-CA 3.44Å; H927-Q931 WeakPolarHBondContact O-CB 3.47Å; H927-Q931 PolarHBondContact O-N 3.4Å; L929-Q931 VanDerWaalsContact C-N 3.35Å; Q931-C933 PolarHBondContact O-N 3.29Å; Q931-K934 CarbonylContact O-C 3.44Å; Q931-K934 PolarHBondContact O-N 2.92Å; Q931-M935 HydrophobicContact CG-CG 3.78Å; Q931-M935 WeakPolarHBondContact O-CA 3.4Å; Q931-M935 WeakPolarHBondContact O-CB 3.38Å; Q931-M935 WeakPolarHBondContact O-CG 3.38Å; Q931-M935 PolarHBondContact O-N 2.84Å; Q931-I950 HydrophobicContact CB-CG2 4.32Å; Q931-I950 HydrophobicContact CG-CG2 4.14Å
932	A	61.8	Low	65.7	Low	19 Å²	19	56.1 Å²	56.1	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-33.6	163.5	0	0	0	0	0	109.1	N928 Q936	N928-A932 VanDerWaalsContact C-N 3.34Å; N928-A932 WeakPolarHBondContact O-CA 3.3Å; N928-A932 WeakPolarHBondContact O-CB 3.48Å; N928-A932 PolarHBondContact O-N 3.46Å; A932-Q936 WeakPolarHBondContact O-CA 3.47Å; A932-Q936 WeakPolarHBondContact O-CB 3.29Å; A932-Q936 WeakPolarHBondContact O-CG 3.43Å; A932-Q936 PolarHBondContact O-N 3.35Å
933	C	62.8	Low	65.5	Low	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-50.8	171.4	-68.9	0	0	0	0	111.6	Q224 L929 L930 Q931 M935 D937 I938 L940 M947	Q224-C933 WeakPolarHBondContact CB-SG 3.28Å; Q224-C933 WeakPolarHBondContact CG-SG 3.44Å; L929-C933 WeakPolarHBondContact O-CB 3Å; L929-C933 PolarHBondContact O-N 3.32Å; L929-C933 PolarHBondContact O-SG 3.37Å; L930-C933 WeakPolarHBondContact O-CB 3.33Å; L930-C933 PolarHBondContact O-N 2.98Å; Q931-C933 PolarHBondContact O-N 3.29Å; C933-M935 VanDerWaalsContact C-N 3.35Å; C933-M935 PolarHBondContact O-N 2.93Å; C933-D937 PolarHBondContact O-N 3.31Å; C933-I938 CarbonylContact C-O 3.51Å; C933-I938 HydrophobicContact CB-CB 4.08Å; C933-I938 HydrophobicContact CB-CG2 4.02Å; C933-I938 WeakPolarHBondContact O-CA 3.26Å; C933-I938 VanDerWaalsContact O-CB 3.26Å; C933-I938 WeakPolarHBondContact O-CB 3.31Å; C933-I938 PolarHBondContact O-N 2.83Å; C933-L940 HydrophobicContact CB-CD1 3.34Å; C933-L940 HydrophobicContact CB-CD2 3.91Å; C933-L940 HydrophobicContact CB-CG 3.41Å; C933-L940 VanDerWaalsContact CB-CG 3.41Å; C933-L940 VanDerWaalsContact SG-CD1 3.57Å; C933-L940 WeakPolarHBondContact SG-CD2 3.34Å; C933-M947 HydrophobicContact CB-CE 4.22Å
934	K	64.3	Low	65	Low	50 Å²	50	59.5 Å²	59.5	22%	0.217	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-39.1	177.3	-165.1	173.5	178.5	177.6	0	114.2	L930 Q931 D937 M947 I950 S951	L930-K934 PolarHBondContact O-N 3.48Å; Q931-K934 CarbonylContact O-C 3.44Å; Q931-K934 PolarHBondContact O-N 2.92Å; K934-D937 WeakPolarHBondContact O-CA 3.36Å; K934-D937 PolarHBondContact O-N 3.42Å; K934-M947 HydrophobicContact CB-CE 3.89Å; K934-M947 WeakPolarHBondContact CD-O 3.15Å; K934-M947 VanDerWaalsContact CE-O 3.23Å; K934-M947 WeakPolarHBondContact CE-O 3.23Å; K934-M947 PolarHBondContact NZ-O 2.95Å; K934-I950 HydrophobicContact CD-CB 3.67Å; K934-I950 HydrophobicContact CD-CD1 4.2Å; K934-I950 HydrophobicContact CD-CG1 4.46Å; K934-I950 HydrophobicContact CD-CG2 3.7Å; K934-S951 VanDerWaalsContact NZ-N 3.11Å; K934-S951 PolarHBondContact NZ-OG 3.39Å
935	M	52.4	Low	65.2	Low	142 Å²	142	60.1 Å²	60.1	70%	0.7	29%	0.294	S	S	*	.	H	α-helix	trans	-82.1	-31.6	-175.3	-70.9	-112.1	-89	0	0	112.5	Q931 C933 D937	Q931-M935 HydrophobicContact CG-CG 3.78Å; Q931-M935 WeakPolarHBondContact O-CA 3.4Å; Q931-M935 WeakPolarHBondContact O-CB 3.38Å; Q931-M935 WeakPolarHBondContact O-CG 3.38Å; Q931-M935 PolarHBondContact O-N 2.84Å; C933-M935 VanDerWaalsContact C-N 3.35Å; C933-M935 PolarHBondContact O-N 2.93Å; M935-D937 PolarHBondContact O-N 3.08Å
936	Q	54.4	Low	64.8	Low	88 Å²	88	61.1 Å²	61.1	41%	0.411	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.7	168.3	-59.7	172.8	16.2	0	0	110.9	S220 A932 I938	S220-Q936 PolarHBondContact OG-OE1 3.43Å; A932-Q936 WeakPolarHBondContact O-CA 3.47Å; A932-Q936 WeakPolarHBondContact O-CB 3.29Å; A932-Q936 WeakPolarHBondContact O-CG 3.43Å; A932-Q936 PolarHBondContact O-N 3.35Å; Q936-I938 HydrophobicContact CB-CD1 3.37Å; Q936-I938 HydrophobicContact CB-CG1 3.58Å; Q936-I938 HydrophobicContact CG-CD1 4.19Å; Q936-I938 PolarHBondContact O-N 3.27Å
937	D	54.2	Low	64.3	Low	131 Å²	131	60.5 Å²	60.5	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	36	-174.6	-153.9	20	0	0	0	113.3	C933 K934 M935	C933-D937 PolarHBondContact O-N 3.31Å; K934-D937 WeakPolarHBondContact O-CA 3.36Å; K934-D937 PolarHBondContact O-N 3.42Å; M935-D937 PolarHBondContact O-N 3.08Å
938	I	63.5	Low	63.8	Low	5 Å²	5	64.7 Å²	64.7	3%	0.026	33%	0.325	C	S	.	.			trans	-86	108.1	178	-66.3	174.4	0	0	0	107.4	S220 V221 C933 Q936 L940	S220-I938 WeakPolarHBondContact OG-CD1 3.38Å; V221-I938 HydrophobicContact CB-CG2 3.56Å; V221-I938 HydrophobicContact CG1-CG2 3.82Å; V221-I938 HydrophobicContact CG2-CB 4.16Å; V221-I938 HydrophobicContact CG2-CG1 4.44Å; V221-I938 HydrophobicContact CG2-CG2 3.29Å; C933-I938 CarbonylContact C-O 3.51Å; C933-I938 HydrophobicContact CB-CB 4.08Å; C933-I938 HydrophobicContact CB-CG2 4.02Å; C933-I938 WeakPolarHBondContact O-CA 3.26Å; C933-I938 VanDerWaalsContact O-CB 3.26Å; C933-I938 WeakPolarHBondContact O-CB 3.31Å; C933-I938 PolarHBondContact O-N 2.83Å; Q936-I938 HydrophobicContact CB-CD1 3.37Å; Q936-I938 HydrophobicContact CB-CG1 3.58Å; Q936-I938 HydrophobicContact CG-CD1 4.19Å; Q936-I938 PolarHBondContact O-N 3.27Å; I938-L940 HydrophobicContact CG2-CD2 4.39Å; I938-L940 PolarHBondContact O-N 3.49Å
939	R	66.3	Low	63.6	Low	217 Å²	217	64.4 Å²	64.4	82%	0.819	32%	0.323	S	S	*	.			trans	-73	107.1	-179.4	-64.7	-172.4	177.9	-161.6	-1.6	111.3
940	L	71.5	Confident	63	Low	19 Å²	19	64.2 Å²	64.2	10%	0.099	32%	0.322	C	S	.	.			trans	-87.2	148.2	176.2	-67.9	-179.9	0	0	0	113	V221 L225 L228 L930 C933 I938 M947	V221-L940 HydrophobicContact CG1-CD2 4.41Å; L225-L940 HydrophobicContact CD2-CD2 3.81Å; L225-L940 HydrophobicContact CG-CD2 3.9Å; L228-L940 HydrophobicContact CD1-CD1 4.11Å; L930-L940 HydrophobicContact CD2-CD1 3.83Å; C933-L940 HydrophobicContact CB-CD1 3.34Å; C933-L940 HydrophobicContact CB-CD2 3.91Å; C933-L940 HydrophobicContact CB-CG 3.41Å; C933-L940 VanDerWaalsContact CB-CG 3.41Å; C933-L940 VanDerWaalsContact SG-CD1 3.57Å; C933-L940 WeakPolarHBondContact SG-CD2 3.34Å; I938-L940 HydrophobicContact CG2-CD2 4.39Å; I938-L940 PolarHBondContact O-N 3.49Å; L940-M947 HydrophobicContact CB-CE 4.31Å; L940-M947 HydrophobicContact CB-SD 4.43Å; L940-M947 HydrophobicContact CD1-CE 3.92Å; L940-M947 HydrophobicContact CD1-SD 4.35Å; L940-M947 HydrophobicContact CG-CE 4.22Å
941	P	70.8	Confident	62.3	Low	31 Å²	31	66.7 Å²	66.7	20%	0.201	34%	0.34	C	S	.	.			trans	-79.9	130.5	167.4	31.8	-34.5	0	0	0	112.7	L225 D981	L225-P941 HydrophobicContact CD1-CG 3.94Å; L225-P941 HydrophobicContact CD2-CG 4.2Å; P941-D981 HydrophobicContact CB-CB 4.38Å; P941-D981 PolarHBondContact O-N 2.88Å; P941-D981 VanDerWaalsContact O-N 3.09Å
942	L	76.3	Confident	62	Low	48 Å²	48	69.2 Å²	69.2	25%	0.251	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.1	-176.2	-61.4	178.6	0	0	0	112.2	M947 I978 I980	L942-M947 HydrophobicContact CD1-CB 4.44Å; L942-M947 HydrophobicContact CD1-CG 3.6Å; L942-M947 HydrophobicContact CD1-SD 3.83Å; L942-M947 HydrophobicContact CD2-SD 4.21Å; L942-M947 HydrophobicContact CG-CG 4.41Å; L942-M947 HydrophobicContact CG-SD 4.35Å; L942-I978 HydrophobicContact CD2-CG2 4.02Å; L942-I980 HydrophobicContact CD2-CB 4.38Å; L942-I980 HydrophobicContact CD2-CG1 4.08Å; L942-I980 HydrophobicContact CD2-CG2 4.39Å
943	R	68.2	Low	61	Low	177 Å²	177	72.1 Å²	72.1	67%	0.668	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	-43.9	175	-70.3	-167.8	175.2	-161.9	-3.6	113.3	E979 D981	R943-E979 PolarHBondContact N-O 3.47Å; R943-D981 HydrophobicContact CG-CB 3.5Å; R943-D981 IonicContact CZ-OD1 3.5Å; R943-D981 IonicContact NE-OD1 3.51Å; R943-D981 PolarHBondContact NE-OD1 2.96Å; R943-D981 IonicContact NH2-OD1 3.5Å; R943-D981 PolarHBondContact NH2-OD1 3.44Å
944	S	62.1	Low	60.2	Low	43 Å²	43	81.9 Å²	81.9	30%	0.301	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.7	176.4	77.8	0	0	0	0	110.2	E979	S944-E979 PolarHBondContact N-O 2.58Å; S944-E979 PolarHBondContact O-N 2.92Å; S944-E979 WeakPolarHBondContact OG-CB 3.33Å; S944-E979 WeakPolarHBondContact OG-CG 3.24Å; S944-E979 PolarHBondContact OG-OE2 3.31Å
945	G	63.7	Low	59.1	Low	38 Å²	38	82.8 Å²	82.8	39%	0.392	45%	0.452	S	S	.	.	S	Bend	trans	83	169.3	-166	0	0	0	0	0	113
946	T	62.5	Low	58.2	Low	71 Å²	71	81.5 Å²	81.5	44%	0.436	46%	0.457	S	S	.	.			trans	-127	145	-179.3	-93.2	0	0	0	0	109.4	D948 D949	T946-D948 HydrophobicContact CG2-CB 3.51Å; T946-D948 PolarHBondContact O-N 3.48Å; T946-D949 PolarHBondContact N-OD2 2.95Å; T946-D949 VanDerWaalsContact O-CB 3.23Å; T946-D949 WeakPolarHBondContact O-CB 3.34Å; T946-D949 PolarHBondContact O-N 2.79Å
947	M	63.6	Low	57.3	Low	35 Å²	35	83 Å²	83	17%	0.172	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-58.6	-23	176.5	-69.6	-64.8	-87.2	0	0	111.6	L930 C933 K934 L940 L942 D949 I950	L930-M947 HydrophobicContact CD2-SD 4.48Å; L930-M947 VanDerWaalsContact O-CE 3.3Å; L930-M947 WeakPolarHBondContact O-CE 3.45Å; C933-M947 HydrophobicContact CB-CE 4.22Å; K934-M947 HydrophobicContact CB-CE 3.89Å; K934-M947 WeakPolarHBondContact CD-O 3.15Å; K934-M947 VanDerWaalsContact CE-O 3.23Å; K934-M947 WeakPolarHBondContact CE-O 3.23Å; K934-M947 PolarHBondContact NZ-O 2.95Å; L940-M947 HydrophobicContact CB-CE 4.31Å; L940-M947 HydrophobicContact CB-SD 4.43Å; L940-M947 HydrophobicContact CD1-CE 3.92Å; L940-M947 HydrophobicContact CD1-SD 4.35Å; L940-M947 HydrophobicContact CG-CE 4.22Å; L942-M947 HydrophobicContact CD1-CB 4.44Å; L942-M947 HydrophobicContact CD1-CG 3.6Å; L942-M947 HydrophobicContact CD1-SD 3.83Å; L942-M947 HydrophobicContact CD2-SD 4.21Å; L942-M947 HydrophobicContact CG-CG 4.41Å; L942-M947 HydrophobicContact CG-SD 4.35Å; M947-D949 VanDerWaalsContact C-N 3.26Å; M947-D949 PolarHBondContact O-N 3.37Å; M947-I950 HydrophobicContact CB-CD1 4.35Å; M947-I950 HydrophobicContact CE-CD1 3.88Å; M947-I950 WeakPolarHBondContact O-CB 3.35Å; M947-I950 VanDerWaalsContact O-CG1 3.29Å; M947-I950 WeakPolarHBondContact O-CG1 3.2Å; M947-I950 PolarHBondContact O-N 3.13Å; M947-I950 HydrophobicContact SD-CD1 3.48Å; M947-I950 WeakPolarHBondContact SD-CD1 3.29Å
948	D	59.3	Low	56.1	Low	111 Å²	111	85.4 Å²	85.4	59%	0.594	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-70	-15.3	172.5	-58.6	-37.2	0	0	0	114	T946 I950 S951	T946-D948 HydrophobicContact CG2-CB 3.51Å; T946-D948 PolarHBondContact O-N 3.48Å; D948-I950 PolarHBondContact O-N 3.09Å; D948-S951 CarbonylContact O-C 3.47Å; D948-S951 WeakPolarHBondContact O-CA 3.46Å; D948-S951 PolarHBondContact O-N 3.35Å; D948-S951 PolarHBondContact O-OG 3.05Å
949	D	57.4	Low	54.6	Low	61 Å²	61	91.2 Å²	91.2	33%	0.326	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-70	-16.8	170.6	-64.2	-44.3	0	0	0	112.3	T946 M947 S951 I978	T946-D949 PolarHBondContact N-OD2 2.95Å; T946-D949 VanDerWaalsContact O-CB 3.23Å; T946-D949 WeakPolarHBondContact O-CB 3.34Å; T946-D949 PolarHBondContact O-N 2.79Å; M947-D949 VanDerWaalsContact C-N 3.26Å; M947-D949 PolarHBondContact O-N 3.37Å; D949-S951 PolarHBondContact O-N 3.11Å; D949-I978 HydrophobicContact CB-CD1 4.15Å; D949-I978 HydrophobicContact CB-CG1 4.5Å
950	I	59.1	Low	53.6	Low	12 Å²	12	86.1 Å²	86.1	6%	0.062	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-77.4	-7.3	169.9	-46.7	172.3	0	0	0	110	L930 Q931 K934 M947 D948 E975 I978	L930-I950 HydrophobicContact CB-CD1 4.27Å; Q931-I950 HydrophobicContact CB-CG2 4.32Å; Q931-I950 HydrophobicContact CG-CG2 4.14Å; K934-I950 HydrophobicContact CD-CB 3.67Å; K934-I950 HydrophobicContact CD-CD1 4.2Å; K934-I950 HydrophobicContact CD-CG1 4.46Å; K934-I950 HydrophobicContact CD-CG2 3.7Å; M947-I950 HydrophobicContact CB-CD1 4.35Å; M947-I950 HydrophobicContact CE-CD1 3.88Å; M947-I950 WeakPolarHBondContact O-CB 3.35Å; M947-I950 VanDerWaalsContact O-CG1 3.29Å; M947-I950 WeakPolarHBondContact O-CG1 3.2Å; M947-I950 PolarHBondContact O-N 3.13Å; M947-I950 HydrophobicContact SD-CD1 3.48Å; M947-I950 WeakPolarHBondContact SD-CD1 3.29Å; D948-I950 PolarHBondContact O-N 3.09Å; I950-E975 WeakPolarHBondContact CB-OE1 3.45Å; I950-E975 HydrophobicContact CG1-CG 4.03Å; I950-E975 WeakPolarHBondContact CG2-OE1 3.34Å; I950-I978 HydrophobicContact CD1-CD1 4.18Å; I950-I978 HydrophobicContact CG1-CD1 3.59Å
951	S	52.9	Low	51.6	Low	53 Å²	53	93 Å²	93	37%	0.371	55%	0.546	S	S	.	.	S	Bend	trans	-123.1	151.9	177.9	45.5	0	0	0	0	114.4	K934 D948 D949	K934-S951 VanDerWaalsContact NZ-N 3.11Å; K934-S951 PolarHBondContact NZ-OG 3.39Å; D948-S951 CarbonylContact O-C 3.47Å; D948-S951 WeakPolarHBondContact O-CA 3.46Å; D948-S951 PolarHBondContact O-N 3.35Å; D948-S951 PolarHBondContact O-OG 3.05Å; D949-S951 PolarHBondContact O-N 3.11Å
952	Q	54.3	Low	50.7	Low	103 Å²	103	95.6 Å²	95.6	48%	0.481	57%	0.565	S	S	.	*			trans	-80.3	131	174.9	-63.3	168.1	40.8	0	0	109.5	T967 V971	Q952-T967 VanDerWaalsContact CG-CB 3.44Å; Q952-T967 HydrophobicContact CG-CG2 3.73Å; Q952-T967 PolarHBondContact NE2-OG1 3.23Å; Q952-T967 PolarHBondContact OE1-OG1 2.98Å; Q952-V971 HydrophobicContact CG-CG2 4.42Å
953	G	42.4	Very low	49.3	Very low	80 Å²	80	95.9 Å²	95.9	83%	0.825	57%	0.571	S	S	*	*			trans	-73.6	147.1	178.3	0	0	0	0	0	112.8
954	E	44.6	Very low	48	Very low	205 Å²	205	91.3 Å²	91.3	96%	0.958	57%	0.566	S	S	*	*			trans	-123.2	113.5	161.3	-76.9	-167.5	162.9	0	0	110
955	G	41	Very low	47.1	Very low	68 Å²	68	97.1 Å²	97.1	70%	0.701	59%	0.589	S	S	*	*			trans	166.3	115.8	168.7	0	0	0	0	0	111.7
956	S	33.6	Very low	46.3	Very low	116 Å²	116	104 Å²	104	81%	0.811	60%	0.603	S	S	*	*	S	Bend	trans	72.5	84.7	-166.5	71.3	0	0	0	0	113.4
957	S	35.7	Very low	45.5	Very low	118 Å²	118	101.9 Å²	101.9	83%	0.825	59%	0.59	S	S	*	*				80.8	119.9	80.1	-65.4	0	0	0	0	112.9
958	Q	29	Very low	44.7	Very low	182 Å²	182	103.1 Å²	103.1	85%	0.85	60%	0.602	S	S	*	*			trans	78	127.6	172.7	-67	-174.1	-12.9	0	0	116.4
959	T	31.3	Very low	44.3	Very low	128 Å²	128	101 Å²	101	79%	0.785	60%	0.596	S	S	*	*	S	Bend	trans	85.7	131.5	157.7	58.1	0	0	0	0	118.4
960	D	47.1	Very low	44	Very low	110 Å²	110	100.3 Å²	100.3	59%	0.588	60%	0.596	S	S	*	*			trans	81	69.6	159.1	-59.1	-12.9	0	0	0	121	S962 S963	D960-S962 PolarHBondContact O-N 3.16Å; D960-S963 WeakPolarHBondContact O-CB 3.43Å; D960-S963 PolarHBondContact O-N 3.37Å; D960-S963 PolarHBondContact O-OG 3.09Å
961	D	28.9	Very low	43.8	Very low	163 Å²	163	100.1 Å²	100.1	87%	0.872	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	14.3	166.1	-164.4	29.3	0	0	0	115.2
962	S	51.4	Low	43.9	Very low	86 Å²	86	99.8 Å²	99.8	60%	0.601	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	21.7	170.7	56.3	0	0	0	0	111.5	D960	D960-S962 PolarHBondContact O-N 3.16Å
963	S	46.2	Very low	44.1	Very low	54 Å²	54	97.6 Å²	97.6	38%	0.378	59%	0.589	S	S	.	*			trans	-114	43.8	-170.1	68.6	0	0	0	0	114.9	D960 T967	D960-S963 WeakPolarHBondContact O-CB 3.43Å; D960-S963 PolarHBondContact O-N 3.37Å; D960-S963 PolarHBondContact O-OG 3.09Å; S963-T967 WeakPolarHBondContact O-CG2 3.44Å; S963-T967 PolarHBondContact O-OG1 3.37Å; S963-T967 VanDerWaalsContact O-OG1 3.12Å
964	S	42.4	Very low	44.9	Very low	80 Å²	80	98.7 Å²	98.7	56%	0.559	57%	0.57	S	S	*	*	S	Bend	trans	-114.9	-18.1	170.1	53.9	0	0	0	0	114.5	T967	S964-T967 WeakPolarHBondContact CA-OG1 3.43Å; S964-T967 PolarHBondContact O-OG1 3.47Å
965	Q	43.4	Very low	45.8	Very low	166 Å²	166	89.2 Å²	89.2	78%	0.776	53%	0.526	S	S	*	.	H	α-helix	trans	-92.3	-31.7	170.8	-82.4	-178.3	-27.9	0	0	113	T967 S968 S969	Q965-T967 PolarHBondContact O-N 3.5Å; Q965-S968 PolarHBondContact O-OG 2.91Å; Q965-S969 PolarHBondContact O-N 3.42Å; Q965-S969 PolarHBondContact O-OG 3.31Å
966	R	45.3	Very low	46.8	Very low	181 Å²	181	89 Å²	89	68%	0.683	52%	0.518	S	S	*	.	H	α-helix	trans	-67.5	-19.1	170.3	-71.3	-174.4	-169.8	173	5.8	112.1	S969 S970	R966-S969 PolarHBondContact O-OG 3.35Å; R966-S970 WeakPolarHBondContact O-CB 3.06Å; R966-S970 PolarHBondContact O-N 3.47Å
967	T	46.8	Very low	48.2	Very low	28 Å²	28	89.5 Å²	89.5	17%	0.172	51%	0.511	C	S	.	.	H	α-helix	trans	-90.3	-29.1	-177.2	42.4	0	0	0	0	113	Q952 S963 S964 Q965 V971	Q952-T967 VanDerWaalsContact CG-CB 3.44Å; Q952-T967 HydrophobicContact CG-CG2 3.73Å; Q952-T967 PolarHBondContact NE2-OG1 3.23Å; Q952-T967 PolarHBondContact OE1-OG1 2.98Å; S963-T967 WeakPolarHBondContact O-CG2 3.44Å; S963-T967 PolarHBondContact O-OG1 3.37Å; S963-T967 VanDerWaalsContact O-OG1 3.12Å; S964-T967 WeakPolarHBondContact CA-OG1 3.43Å; S964-T967 PolarHBondContact O-OG1 3.47Å; Q965-T967 PolarHBondContact O-N 3.5Å; T967-V971 WeakPolarHBondContact O-CA 3.2Å; T967-V971 WeakPolarHBondContact O-CB 3.47Å; T967-V971 WeakPolarHBondContact O-CG2 3.38Å; T967-V971 PolarHBondContact O-N 2.95Å
968	S	46.8	Very low	49.7	Very low	60 Å²	60	84.2 Å²	84.2	42%	0.42	47%	0.473	S	S	.	.	H	α-helix	trans	-70.7	-35.4	167.4	62.7	0	0	0	0	111.6	Q965 V971 L972	Q965-S968 PolarHBondContact O-OG 2.91Å; S968-V971 PolarHBondContact O-N 2.74Å; S968-L972 WeakPolarHBondContact O-CB 3.49Å; S968-L972 WeakPolarHBondContact O-CD1 3.4Å; S968-L972 WeakPolarHBondContact O-CG 3.46Å; S968-L972 PolarHBondContact O-N 3.38Å
969	S	51.3	Low	51.7	Low	67 Å²	67	81.4 Å²	81.4	47%	0.469	46%	0.46	S	S	.	.	H	α-helix	trans	-74.7	-35.2	174.4	64.9	0	0	0	0	112.7	Q965 R966 A973	Q965-S969 PolarHBondContact O-N 3.42Å; Q965-S969 PolarHBondContact O-OG 3.31Å; R966-S969 PolarHBondContact O-OG 3.35Å; S969-A973 WeakPolarHBondContact O-CB 3.49Å; S969-A973 PolarHBondContact O-N 3.49Å
970	S	50.2	Low	53.9	Low	46 Å²	46	75.8 Å²	75.8	32%	0.322	43%	0.425	S	S	.	.	H	α-helix	trans	-67.1	-36.2	168.7	167.4	0	0	0	0	111.8	R966 A973 K974	R966-S970 WeakPolarHBondContact O-CB 3.06Å; R966-S970 PolarHBondContact O-N 3.47Å; S970-A973 CarbonylContact O-C 3.46Å; S970-A973 PolarHBondContact O-N 3.01Å; S970-K974 VanDerWaalsContact O-CB 3.24Å; S970-K974 WeakPolarHBondContact O-CB 3.44Å; S970-K974 WeakPolarHBondContact O-CG 3.38Å; S970-K974 PolarHBondContact O-N 3.04Å
971	V	54.4	Low	55.2	Low	9 Å²	9	72.1 Å²	72.1	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-72	-48.7	174.9	162.7	0	0	0	0	110.2	Q952 T967 S968 A973 K974 E975	Q952-V971 HydrophobicContact CG-CG2 4.42Å; T967-V971 WeakPolarHBondContact O-CA 3.2Å; T967-V971 WeakPolarHBondContact O-CB 3.47Å; T967-V971 WeakPolarHBondContact O-CG2 3.38Å; T967-V971 PolarHBondContact O-N 2.95Å; S968-V971 PolarHBondContact O-N 2.74Å; V971-A973 PolarHBondContact O-N 2.89Å; V971-K974 CarbonylContact O-C 3.58Å; V971-K974 WeakPolarHBondContact O-CA 3.49Å; V971-K974 PolarHBondContact O-N 2.98Å; V971-E975 VanDerWaalsContact CG1-CD 3.42Å; V971-E975 HydrophobicContact CG1-CG 4.01Å; V971-E975 WeakPolarHBondContact CG1-OE1 3.36Å; V971-E975 WeakPolarHBondContact O-CA 3.43Å; V971-E975 WeakPolarHBondContact O-CB 3.43Å; V971-E975 WeakPolarHBondContact O-CG 3.44Å; V971-E975 PolarHBondContact O-N 2.81Å
972	L	56.3	Low	57.6	Low	46 Å²	46	65.9 Å²	65.9	24%	0.241	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-32	171.7	-73.1	162.2	0	0	0	112	H927 S968 A976	H927-L972 HydrophobicContact CB-CD2 3.64Å; S968-L972 WeakPolarHBondContact O-CB 3.49Å; S968-L972 WeakPolarHBondContact O-CD1 3.4Å; S968-L972 WeakPolarHBondContact O-CG 3.46Å; S968-L972 PolarHBondContact O-N 3.38Å; L972-A976 VanDerWaalsContact O-CB 3.32Å; L972-A976 WeakPolarHBondContact O-CB 3.39Å; L972-A976 PolarHBondContact O-N 3.29Å
973	A	57.2	Low	58.5	Low	57 Å²	57	65 Å²	65	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-78	-31.7	173.6	0	0	0	0	0	113.4	S969 S970 V971	S969-A973 WeakPolarHBondContact O-CB 3.49Å; S969-A973 PolarHBondContact O-N 3.49Å; S970-A973 CarbonylContact O-C 3.46Å; S970-A973 PolarHBondContact O-N 3.01Å; V971-A973 PolarHBondContact O-N 2.89Å
974	K	59.1	Low	59.4	Low	102 Å²	102	68.8 Å²	68.8	44%	0.443	38%	0.38	S	S	.	.	H	α-helix	trans	-77	-30.9	171.1	-76.9	174.3	179.4	-168	0	112.2	S970 V971 L977	S970-K974 VanDerWaalsContact O-CB 3.24Å; S970-K974 WeakPolarHBondContact O-CB 3.44Å; S970-K974 WeakPolarHBondContact O-CG 3.38Å; S970-K974 PolarHBondContact O-N 3.04Å; V971-K974 CarbonylContact O-C 3.58Å; V971-K974 WeakPolarHBondContact O-CA 3.49Å; V971-K974 PolarHBondContact O-N 2.98Å; K974-L977 WeakPolarHBondContact O-CA 3.31Å; K974-L977 WeakPolarHBondContact O-CB 3.4Å; K974-L977 PolarHBondContact O-N 3.38Å
975	E	63.7	Low	60.8	Low	6 Å²	6	65.7 Å²	65.7	3%	0.028	36%	0.357	C	S	.	.	H	α-helix	trans	-75.9	-29.1	173.2	-75.2	169.5	175.9	0	0	112.1	H927 I950 V971 L977 I978	H927-E975 IonicContact CE1-OE1 3.86Å; H927-E975 PolarHBondContact CE1-OE1 3.36Å; H927-E975 IonicContact CE1-OE2 2.84Å; H927-E975 IonicContact CG-OE2 3.33Å; H927-E975 IonicContact ND1-OE1 2.87Å; H927-E975 PolarHBondContact ND1-OE1 2.92Å; H927-E975 IonicContact ND1-OE2 3.54Å; H927-E975 PolarHBondContact ND1-OE2 2.97Å; I950-E975 WeakPolarHBondContact CB-OE1 3.45Å; I950-E975 HydrophobicContact CG1-CG 4.03Å; I950-E975 WeakPolarHBondContact CG2-OE1 3.34Å; V971-E975 VanDerWaalsContact CG1-CD 3.42Å; V971-E975 HydrophobicContact CG1-CG 4.01Å; V971-E975 WeakPolarHBondContact CG1-OE1 3.36Å; V971-E975 WeakPolarHBondContact O-CA 3.43Å; V971-E975 WeakPolarHBondContact O-CB 3.43Å; V971-E975 WeakPolarHBondContact O-CG 3.44Å; V971-E975 PolarHBondContact O-N 2.81Å; E975-L977 PolarHBondContact O-N 3.45Å; E975-L977 VanDerWaalsContact O-N 3.13Å; E975-I978 HydrophobicContact CB-CD1 4.28Å; E975-I978 HydrophobicContact CG-CD1 3.84Å; E975-I978 PolarHBondContact O-N 3.03Å
976	A	62.5	Low	62.1	Low	63 Å²	63	60.8 Å²	60.8	52%	0.521	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.3	163.8	0	0	0	0	0	112.5	L972	L972-A976 VanDerWaalsContact O-CB 3.32Å; L972-A976 WeakPolarHBondContact O-CB 3.39Å; L972-A976 PolarHBondContact O-N 3.29Å
977	L	63.3	Low	63.2	Low	128 Å²	128	59.1 Å²	59.1	67%	0.67	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.2	173	-51	163.6	0	0	0	113.8	K974 E975	K974-L977 WeakPolarHBondContact O-CA 3.31Å; K974-L977 WeakPolarHBondContact O-CB 3.4Å; K974-L977 PolarHBondContact O-N 3.38Å; E975-L977 PolarHBondContact O-N 3.45Å; E975-L977 VanDerWaalsContact O-N 3.13Å
978	I	67.1	Low	64.3	Low	7 Å²	7	64.9 Å²	64.9	4%	0.036	37%	0.371	C	S	.	.			trans	-83.4	125.9	178.8	-66.3	174.2	0	0	0	109.7	L942 D949 I950 E975 I980	L942-I978 HydrophobicContact CD2-CG2 4.02Å; D949-I978 HydrophobicContact CB-CD1 4.15Å; D949-I978 HydrophobicContact CB-CG1 4.5Å; I950-I978 HydrophobicContact CD1-CD1 4.18Å; I950-I978 HydrophobicContact CG1-CD1 3.59Å; E975-I978 HydrophobicContact CB-CD1 4.28Å; E975-I978 HydrophobicContact CG-CD1 3.84Å; E975-I978 PolarHBondContact O-N 3.03Å; I978-I980 HydrophobicContact CG2-CG1 4.48Å
979	E	70.8	Confident	65.3	Low	123 Å²	123	63.5 Å²	63.5	58%	0.575	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.2	175.2	-61.1	176.5	151.5	0	0	111	R943 S944	R943-E979 PolarHBondContact N-O 3.47Å; S944-E979 PolarHBondContact N-O 2.58Å; S944-E979 PolarHBondContact O-N 2.92Å; S944-E979 WeakPolarHBondContact OG-CB 3.33Å; S944-E979 WeakPolarHBondContact OG-CG 3.24Å; S944-E979 PolarHBondContact OG-OE2 3.31Å
980	I	77.8	Confident	66.3	Low	10 Å²	10	62.3 Å²	62.3	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	141.4	-173.6	-52.6	-179.1	0	0	0	111.2	L225 L228 L930 L942 I978 Y982	L225-I980 HydrophobicContact CD2-CG2 3.89Å; L228-I980 HydrophobicContact CB-CD1 4.15Å; L228-I980 HydrophobicContact CD1-CD1 3.73Å; L228-I980 HydrophobicContact CD2-CD1 4.04Å; L228-I980 HydrophobicContact CG-CD1 4.16Å; L930-I980 HydrophobicContact CD1-CD1 4.08Å; L930-I980 HydrophobicContact CD2-CD1 3.26Å; L930-I980 HydrophobicContact CD2-CG1 3.87Å; L930-I980 HydrophobicContact CG-CD1 3.78Å; L942-I980 HydrophobicContact CD2-CB 4.38Å; L942-I980 HydrophobicContact CD2-CG1 4.08Å; L942-I980 HydrophobicContact CD2-CG2 4.39Å; I978-I980 HydrophobicContact CG2-CG1 4.48Å; I980-Y982 HydrophobicContact CB-CD2 4.48Å; I980-Y982 HydrophobicContact CB-CE1 4.15Å; I980-Y982 HydrophobicContact CB-CE2 3.88Å; I980-Y982 HydrophobicContact CG2-CD1 4.19Å; I980-Y982 HydrophobicContact CG2-CE1 3.83Å; I980-Y982 HydrophobicContact CG2-CE2 4.35Å; I980-Y982 WeakPolarHBondContact O-CD2 3.39Å; I980-Y982 PolarHBondContact O-N 3.25Å
981	D	73.8	Confident	67.1	Low	33 Å²	33	66.3 Å²	66.3	18%	0.176	36%	0.363	C	S	.	.			trans	-89.8	100.8	175.1	-169.1	24.5	0	0	0	112.2	P941 R943 S983	P941-D981 HydrophobicContact CB-CB 4.38Å; P941-D981 PolarHBondContact O-N 2.88Å; P941-D981 VanDerWaalsContact O-N 3.09Å; R943-D981 HydrophobicContact CG-CB 3.5Å; R943-D981 IonicContact CZ-OD1 3.5Å; R943-D981 IonicContact NE-OD1 3.51Å; R943-D981 PolarHBondContact NE-OD1 2.96Å; R943-D981 IonicContact NH2-OD1 3.5Å; R943-D981 PolarHBondContact NH2-OD1 3.44Å; D981-S983 VanDerWaalsContact CG-OG 3.22Å; D981-S983 PolarHBondContact O-N 3.45Å; D981-S983 PolarHBondContact OD1-N 2.99Å; D981-S983 PolarHBondContact OD1-OG 3Å; D981-S983 WeakPolarHBondContact OD2-CB 3.46Å; D981-S983 PolarHBondContact OD2-OG 3.07Å; D981-S983 VanDerWaalsContact OD2-OG 3.1Å
982	Y	79.3	Confident	67.1	Low	31 Å²	31	71.1 Å²	71.1	12%	0.122	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-82.7	20.3	178.7	-55.9	-77.8	0	0	0	113.6	L225 L228 Y229 I980 L985 K990	L225-Y982 WeakPolarHBondContact O-CE1 3.32Å; L228-Y982 HydrophobicContact CB-CE1 4.12Å; Y229-Y982 HydrophobicContact CD2-CD2 4.41Å; Y229-Y982 HydrophobicContact CD2-CE2 4.21Å; I980-Y982 HydrophobicContact CB-CD2 4.48Å; I980-Y982 HydrophobicContact CB-CE1 4.15Å; I980-Y982 HydrophobicContact CB-CE2 3.88Å; I980-Y982 HydrophobicContact CG2-CD1 4.19Å; I980-Y982 HydrophobicContact CG2-CE1 3.83Å; I980-Y982 HydrophobicContact CG2-CE2 4.35Å; I980-Y982 WeakPolarHBondContact O-CD2 3.39Å; I980-Y982 PolarHBondContact O-N 3.25Å; Y982-L985 WeakPolarHBondContact O-CB 3.35Å; Y982-L985 PolarHBondContact O-N 3.38Å; Y982-K990 VanDerWaalsContact O-CE 3.26Å; Y982-K990 WeakPolarHBondContact O-CE 3.48Å; Y982-K990 PolarHBondContact O-NZ 2.95Å
983	S	71.1	Confident	67.2	Low	69 Å²	69	72 Å²	72	48%	0.483	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-69.7	-28.7	-177.1	-57.6	0	0	0	0	114.9	D981 L985	D981-S983 VanDerWaalsContact CG-OG 3.22Å; D981-S983 PolarHBondContact O-N 3.45Å; D981-S983 PolarHBondContact OD1-N 2.99Å; D981-S983 PolarHBondContact OD1-OG 3Å; D981-S983 WeakPolarHBondContact OD2-CB 3.46Å; D981-S983 PolarHBondContact OD2-OG 3.07Å; D981-S983 VanDerWaalsContact OD2-OG 3.1Å; S983-L985 PolarHBondContact O-N 3.37Å
984	N	63.9	Low	67.5	Low	132 Å²	132	72 Å²	72	71%	0.706	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-79.8	-3.8	175.1	-74.3	-22.2	0	0	0	113.3
985	L	73.8	Confident	67.7	Low	15 Å²	15	74.7 Å²	74.7	8%	0.079	42%	0.419	C	S	.	.	S	Bend	trans	-95.7	125.7	174.2	-163.8	74.9	0	0	0	108.1	L225 F226 Y982 S983 L989 K990	L225-L985 HydrophobicContact CB-CD1 4.44Å; F226-L985 HydrophobicContact CB-CD1 4.24Å; F226-L985 HydrophobicContact CD2-CD2 4.44Å; Y982-L985 WeakPolarHBondContact O-CB 3.35Å; Y982-L985 PolarHBondContact O-N 3.38Å; S983-L985 PolarHBondContact O-N 3.37Å; L985-L989 HydrophobicContact CD1-CD1 3.82Å; L985-L989 HydrophobicContact CD2-CB 4.33Å; L985-L989 HydrophobicContact CG-CB 4.16Å; L985-L989 HydrophobicContact CG-CD1 4.11Å; L985-K990 HydrophobicContact CD2-CG 4.32Å
986	S	70.8	Confident	67.6	Low	64 Å²	64	82.2 Å²	82.2	45%	0.448	45%	0.454	S	S	.	.			trans	-61.5	145.9	-178.2	52.5	0	0	0	0	112.2	D988 L989	S986-D988 PolarHBondContact O-N 2.91Å; S986-L989 WeakPolarHBondContact O-CB 3.27Å; S986-L989 PolarHBondContact O-N 3.06Å; S986-L989 WeakPolarHBondContact OG-CD1 3.22Å
987	E	67.7	Low	67.7	Low	145 Å²	145	84 Å²	84	68%	0.678	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-56.1	-33.2	-177.7	-74.3	-83.5	120.9	0	0	113.2	L989 K990	E987-L989 PolarHBondContact O-N 3.5Å; E987-K990 PolarHBondContact O-N 3.37Å; E987-K990 IonicContact OE1-NZ 3.57Å
988	D	68.8	Low	68	Low	149 Å²	149	79.4 Å²	79.4	80%	0.797	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-59.5	-14.1	177.2	-56.3	-31.1	0	0	0	114.4	S986	S986-D988 PolarHBondContact O-N 2.91Å
989	L	68.6	Low	68.1	Low	31 Å²	31	85.9 Å²	85.9	16%	0.162	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-101	3	-176.4	-66.2	173.9	0	0	0	114.2	F226 L985 S986 E987 E1001	F226-L989 HydrophobicContact CD2-CB 3.96Å; F226-L989 HydrophobicContact CD2-CD1 4.4Å; F226-L989 HydrophobicContact CD2-CD2 4.23Å; F226-L989 HydrophobicContact CD2-CG 4.43Å; F226-L989 HydrophobicContact CE2-CB 3.86Å; F226-L989 HydrophobicContact CE2-CD2 3.83Å; F226-L989 HydrophobicContact CE2-CG 4.35Å; F226-L989 WeakPolarHBondContact CE2-O 3.41Å; L985-L989 HydrophobicContact CD1-CD1 3.82Å; L985-L989 HydrophobicContact CD2-CB 4.33Å; L985-L989 HydrophobicContact CG-CB 4.16Å; L985-L989 HydrophobicContact CG-CD1 4.11Å; S986-L989 WeakPolarHBondContact O-CB 3.27Å; S986-L989 PolarHBondContact O-N 3.06Å; S986-L989 WeakPolarHBondContact OG-CD1 3.22Å; E987-L989 PolarHBondContact O-N 3.5Å; L989-E1001 HydrophobicContact CD2-CG 3.68Å
990	K	71.8	Confident	68.2	Low	42 Å²	42	82.6 Å²	82.6	18%	0.183	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-26.1	-173.7	-66.4	176.7	-172.3	162.4	0	116.2	Y229 Y982 L985 E987	Y229-K990 WeakPolarHBondContact CE1-O 3.47Å; Y982-K990 VanDerWaalsContact O-CE 3.26Å; Y982-K990 WeakPolarHBondContact O-CE 3.48Å; Y982-K990 PolarHBondContact O-NZ 2.95Å; L985-K990 HydrophobicContact CD2-CG 4.32Å; E987-K990 PolarHBondContact O-N 3.37Å; E987-K990 IonicContact OE1-NZ 3.57Å
991	D	67.2	Low	68.1	Low	131 Å²	131	86.2 Å²	86.2	70%	0.701	47%	0.466	S	S	*	.	S	Bend	trans	-64.7	151	-176.9	-82.9	-27	0	0	0	112.2	L993	D991-L993 WeakPolarHBondContact O-CG 3.39Å; D991-L993 PolarHBondContact O-N 3.44Å
992	A	53.8	Low	68.2	Low	110 Å²	110	85.9 Å²	85.9	91%	0.909	47%	0.465	S	S	*	.			trans	-62.9	94.9	-170.6	0	0	0	0	0	113
993	L	60.1	Low	67.9	Low	65 Å²	65	88.7 Å²	88.7	34%	0.34	48%	0.482	S	S	.	.			trans	-93.5	147.4	174.7	-70.7	164.1	0	0	0	110.4	D991 E997 I998	D991-L993 WeakPolarHBondContact O-CG 3.39Å; D991-L993 PolarHBondContact O-N 3.44Å; L993-E997 HydrophobicContact CB-CB 3.81Å; L993-E997 HydrophobicContact CD2-CB 3.88Å; L993-E997 HydrophobicContact CD2-CG 4.28Å; L993-E997 HydrophobicContact CG-CB 4.28Å; L993-I998 HydrophobicContact CB-CG1 3.91Å; L993-I998 WeakPolarHBondContact O-CD1 3.43Å
994	S	63	Low	68.2	Low	56 Å²	56	89.3 Å²	89.3	39%	0.392	48%	0.483	S	S	.	.			trans	-61.1	158.6	173.9	61.1	0	0	0	0	111.6	E996 E997 I998	S994-E996 PolarHBondContact O-N 3.02Å; S994-E997 PolarHBondContact N-OE2 2.96Å; S994-E997 PolarHBondContact O-N 2.7Å; S994-E997 PolarHBondContact OG-OE2 3.38Å; S994-I998 PolarHBondContact O-N 3.49Å; S994-I998 VanDerWaalsContact O-N 3.17Å
995	E	63.2	Low	68.7	Low	159 Å²	159	85.2 Å²	85.2	74%	0.743	46%	0.461	S	S	*	.	H	α-helix	trans	-52.8	-25	176.2	-84.8	-163.5	154.8	0	0	112.8	K999	E995-K999 WeakPolarHBondContact O-CB 3.29Å
996	E	61.1	Low	68.7	Low	163 Å²	163	86.7 Å²	86.7	76%	0.762	47%	0.467	S	S	*	.	H	α-helix	trans	-77.8	-36.7	179.9	-66.3	178.8	160.3	0	0	112.8	S994 A1000	S994-E996 PolarHBondContact O-N 3.02Å; E996-A1000 PolarHBondContact O-N 3.24Å
997	E	64	Low	68.9	Low	100 Å²	100	89.5 Å²	89.5	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-77.1	-39.3	178.2	-74.5	161.3	152.2	0	0	112.3	L993 S994 K999 A1000 E1001	L993-E997 HydrophobicContact CB-CB 3.81Å; L993-E997 HydrophobicContact CD2-CB 3.88Å; L993-E997 HydrophobicContact CD2-CG 4.28Å; L993-E997 HydrophobicContact CG-CB 4.28Å; S994-E997 PolarHBondContact N-OE2 2.96Å; S994-E997 PolarHBondContact O-N 2.7Å; S994-E997 PolarHBondContact OG-OE2 3.38Å; E997-K999 PolarHBondContact O-N 3.34Å; E997-A1000 PolarHBondContact O-N 3Å; E997-E1001 PolarHBondContact O-N 2.98Å
998	I	71.3	Confident	69.1	Low	33 Å²	33	91.7 Å²	91.7	17%	0.169	48%	0.475	C	S	.	.	H	α-helix	trans	-58.5	-35.5	173.7	-64.1	166.7	0	0	0	110.7	F226 H230 L993 S994 T1002	F226-I998 HydrophobicContact CE1-CG2 4.39Å; H230-I998 HydrophobicContact CB-CD1 4.5Å; H230-I998 HydrophobicContact CB-CG2 4.47Å; H230-I998 WeakPolarHBondContact ND1-CD1 3.4Å; L993-I998 HydrophobicContact CB-CG1 3.91Å; L993-I998 WeakPolarHBondContact O-CD1 3.43Å; S994-I998 PolarHBondContact O-N 3.49Å; S994-I998 VanDerWaalsContact O-N 3.17Å; I998-T1002 WeakPolarHBondContact O-CB 3.33Å; I998-T1002 PolarHBondContact O-N 3.37Å; I998-T1002 PolarHBondContact O-OG1 2.95Å
999	K	67.7	Low	69.5	Low	143 Å²	143	84.9 Å²	84.9	62%	0.622	44%	0.439	S	S	*	.	H	α-helix	trans	-74.5	-35.6	-179.2	-162.3	174.6	-174.9	176.6	0	112.5	E995 E997 N1003	E995-K999 WeakPolarHBondContact O-CB 3.29Å; E997-K999 PolarHBondContact O-N 3.34Å; K999-N1003 PolarHBondContact O-N 3.34Å; K999-N1003 PolarHBondContact O-ND2 3Å
1000	A	73.2	Confident	69.7	Low	53 Å²	53	86.9 Å²	86.9	44%	0.438	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-48.1	179.5	0	0	0	0	0	111.7	E996 E997 N1003 T1004	E996-A1000 PolarHBondContact O-N 3.24Å; E997-A1000 PolarHBondContact O-N 3Å; A1000-N1003 WeakPolarHBondContact O-CB 3.47Å; A1000-N1003 PolarHBondContact O-N 3.17Å; A1000-N1003 VanDerWaalsContact O-N 3.15Å; A1000-T1004 PolarHBondContact O-N 3.49Å; A1000-T1004 PolarHBondContact O-OG1 3.23Å
1001	E	76.1	Confident	69.8	Low	87 Å²	87	90.6 Å²	90.6	41%	0.407	47%	0.468	S	S	.	.	H	α-helix	trans	-74.1	-32	-177.3	-154	56.1	-155.2	0	0	112.7	F226 L989 E997 N1003 T1004	F226-E1001 HydrophobicContact CZ-CB 4.17Å; L989-E1001 HydrophobicContact CD2-CG 3.68Å; E997-E1001 PolarHBondContact O-N 2.98Å; E1001-N1003 PolarHBondContact O-N 2.99Å; E1001-T1004 PolarHBondContact O-N 3.28Å
1002	T	76.1	Confident	69.9	Low	25 Å²	25	87.8 Å²	87.8	15%	0.153	45%	0.45	C	S	.	.	H	α-helix	trans	-56.6	-38.4	168.4	-58.5	0	0	0	0	111.6	F226 K227 I998 Q1006	F226-T1002 VanDerWaalsContact CE1-OG1 3.27Å; F226-T1002 WeakPolarHBondContact CE1-OG1 3.4Å; K227-T1002 HydrophobicContact CD-CG2 4.47Å; K227-T1002 VanDerWaalsContact CE-CG2 3.49Å; K227-T1002 HydrophobicContact CG-CG2 4.31Å; I998-T1002 WeakPolarHBondContact O-CB 3.33Å; I998-T1002 PolarHBondContact O-N 3.37Å; I998-T1002 PolarHBondContact O-OG1 2.95Å; T1002-Q1006 WeakPolarHBondContact O-CB 3.4Å; T1002-Q1006 PolarHBondContact O-N 3.25Å
1003	N	72.3	Confident	70.6	Confident	90 Å²	90	84.9 Å²	84.9	48%	0.481	42%	0.418	S	S	.	.	H	α-helix	trans	-71.6	-37.7	-176	-68.8	-31.1	0	0	0	112.5	K999 A1000 E1001 Q1006 Q1007	K999-N1003 PolarHBondContact O-N 3.34Å; K999-N1003 PolarHBondContact O-ND2 3Å; A1000-N1003 WeakPolarHBondContact O-CB 3.47Å; A1000-N1003 PolarHBondContact O-N 3.17Å; A1000-N1003 VanDerWaalsContact O-N 3.15Å; E1001-N1003 PolarHBondContact O-N 2.99Å; N1003-Q1006 PolarHBondContact O-N 2.97Å; N1003-Q1007 WeakPolarHBondContact O-CB 3.43Å; N1003-Q1007 PolarHBondContact O-N 3.1Å
1004	T	77.3	Confident	70.9	Confident	82 Å²	82	83.9 Å²	83.9	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-61.9	-45.6	179.6	-48.7	0	0	0	0	111.5	A1000 E1001	A1000-T1004 PolarHBondContact O-N 3.49Å; A1000-T1004 PolarHBondContact O-OG1 3.23Å; E1001-T1004 PolarHBondContact O-N 3.28Å
1005	L	74.8	Confident	71.1	Confident	47 Å²	47	85.7 Å²	85.7	25%	0.246	42%	0.421	C	S	.	.	H	α-helix	trans	-72.2	-35.9	177.5	-67.7	171.3	0	0	0	112.4	L223 L1009	L223-L1005 HydrophobicContact CD1-CB 3.77Å; L1005-L1009 PolarHBondContact O-N 2.95Å
1006	Q	74.5	Confident	71.2	Confident	45 Å²	45	79 Å²	79	21%	0.21	39%	0.39	C	S	.	.	H	α-helix	trans	-67.6	-34.4	176	-173	73.9	64.5	0	0	112.4	L223 T1002 N1003 L1009 N1010	L223-Q1006 HydrophobicContact CD1-CB 4.44Å; L223-Q1006 HydrophobicContact CD2-CB 4.43Å; T1002-Q1006 WeakPolarHBondContact O-CB 3.4Å; T1002-Q1006 PolarHBondContact O-N 3.25Å; N1003-Q1006 PolarHBondContact O-N 2.97Å; Q1006-L1009 PolarHBondContact O-N 3.31Å; Q1006-N1010 PolarHBondContact NE2-OD1 3.2Å; Q1006-N1010 VanDerWaalsContact O-CB 3.31Å; Q1006-N1010 WeakPolarHBondContact O-CB 3.38Å; Q1006-N1010 PolarHBondContact O-N 2.89Å; Q1006-N1010 PolarHBondContact O-ND2 3.41Å; Q1006-N1010 PolarHBondContact O-OD1 3.43Å
1007	Q	74.6	Confident	71.1	Confident	123 Å²	123	78.8 Å²	78.8	58%	0.575	39%	0.389	S	S	*	.	H	α-helix	trans	-65	-41.4	-179.1	-167.2	172	3.1	0	0	111.9	N1003 N1010 E1011	N1003-Q1007 WeakPolarHBondContact O-CB 3.43Å; N1003-Q1007 PolarHBondContact O-N 3.1Å; Q1007-N1010 PolarHBondContact O-N 3.41Å; Q1007-E1011 PolarHBondContact O-N 3.43Å
1008	R	73	Confident	71.1	Confident	192 Å²	192	84.2 Å²	84.2	73%	0.725	41%	0.405	S	S	*	.	H	α-helix	trans	-66.3	-37.4	177	-161.2	171.3	-178.6	171.9	-0.5	112.6
1009	L	76.5	Confident	70.4	Confident	5 Å²	5	84.6 Å²	84.6	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-68.7	-40.2	172.9	-178.7	66.5	0	0	0	112	V216 A219 L223 L1005 Q1006 E1011 Q1012 Q1013	V216-L1009 HydrophobicContact CG1-CD1 4.2Å; A219-L1009 HydrophobicContact CB-CD1 3.84Å; L223-L1009 HydrophobicContact CD2-CD2 3.54Å; L1005-L1009 PolarHBondContact O-N 2.95Å; Q1006-L1009 PolarHBondContact O-N 3.31Å; L1009-E1011 PolarHBondContact O-N 2.81Å; L1009-Q1012 PolarHBondContact O-N 3.43Å; L1009-Q1013 HydrophobicContact CD1-CG 4.46Å; L1009-Q1013 HydrophobicContact CG-CG 4.41Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.46Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.45Å; L1009-Q1013 PolarHBondContact O-N 2.81Å
1010	N	71.6	Confident	69.7	Low	74 Å²	74	82.1 Å²	82.1	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-67.7	-34.4	-179	-73.7	-6	0	0	0	112.7	Q1006 Q1007 Q1013 S1014	Q1006-N1010 PolarHBondContact NE2-OD1 3.2Å; Q1006-N1010 VanDerWaalsContact O-CB 3.31Å; Q1006-N1010 WeakPolarHBondContact O-CB 3.38Å; Q1006-N1010 PolarHBondContact O-N 2.89Å; Q1006-N1010 PolarHBondContact O-ND2 3.41Å; Q1006-N1010 PolarHBondContact O-OD1 3.43Å; Q1007-N1010 PolarHBondContact O-N 3.41Å; N1010-Q1013 PolarHBondContact O-N 3.4Å; N1010-S1014 VanDerWaalsContact O-CB 3.24Å; N1010-S1014 WeakPolarHBondContact O-CB 3.47Å; N1010-S1014 PolarHBondContact O-N 2.97Å
1011	E	73.9	Confident	68.9	Low	120 Å²	120	82.7 Å²	82.7	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-60.6	-47.7	174.8	-76.8	176.7	-178.5	0	0	111	Q1007 L1009 S1014 I1015	Q1007-E1011 PolarHBondContact O-N 3.43Å; L1009-E1011 PolarHBondContact O-N 2.81Å; E1011-S1014 PolarHBondContact O-N 3.41Å; E1011-S1014 PolarHBondContact O-OG 3.06Å; E1011-I1015 WeakPolarHBondContact O-CG1 3.28Å; E1011-I1015 PolarHBondContact O-N 3.03Å
1012	Q	70.8	Confident	68.3	Low	71 Å²	71	79.5 Å²	79.5	33%	0.332	40%	0.399	S	S	.	.	H	α-helix	trans	-69	-38.9	177.9	-63.6	-178.9	-47.8	0	0	112.3	V216 L1009 I1015 L1016	V216-Q1012 HydrophobicContact CG2-CB 4.13Å; L1009-Q1012 PolarHBondContact O-N 3.43Å; Q1012-I1015 PolarHBondContact O-N 3.12Å; Q1012-L1016 PolarHBondContact O-N 2.92Å
1013	Q	67.6	Low	67.6	Low	49 Å²	49	81.4 Å²	81.4	23%	0.229	41%	0.409	C	S	.	.	H	α-helix	trans	-68.1	-30.4	173.1	-78.8	179.9	-17.6	0	0	113.4	V216 L1009 N1010 I1015 L1016 Q1017	V216-Q1013 HydrophobicContact CB-CG 4.48Å; V216-Q1013 HydrophobicContact CG1-CG 3.5Å; V216-Q1013 VanDerWaalsContact CG1-CG 3.5Å; V216-Q1013 HydrophobicContact CG2-CG 4.1Å; L1009-Q1013 HydrophobicContact CD1-CG 4.46Å; L1009-Q1013 HydrophobicContact CG-CG 4.41Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.46Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.45Å; L1009-Q1013 PolarHBondContact O-N 2.81Å; N1010-Q1013 PolarHBondContact O-N 3.4Å; Q1013-I1015 VanDerWaalsContact C-N 3.34Å; Q1013-L1016 CarbonylContact O-C 3Å; Q1013-L1016 PolarHBondContact O-N 3.36Å; Q1013-Q1017 WeakPolarHBondContact O-CB 3.36Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.18Å; Q1013-Q1017 PolarHBondContact O-N 2.92Å
1014	S	66.4	Low	67.1	Low	45 Å²	45	83.6 Å²	83.6	32%	0.315	42%	0.418	S	S	.	.	H	α-helix	trans	-68.8	-34.4	178.6	82.8	0	0	0	0	112	N1010 E1011 L1016 R1018	N1010-S1014 VanDerWaalsContact O-CB 3.24Å; N1010-S1014 WeakPolarHBondContact O-CB 3.47Å; N1010-S1014 PolarHBondContact O-N 2.97Å; E1011-S1014 PolarHBondContact O-N 3.41Å; E1011-S1014 PolarHBondContact O-OG 3.06Å; S1014-L1016 VanDerWaalsContact C-N 3.31Å; S1014-R1018 WeakPolarHBondContact O-CB 3.49Å; S1014-R1018 VanDerWaalsContact O-CG 3.24Å; S1014-R1018 WeakPolarHBondContact O-CG 3.36Å; S1014-R1018 PolarHBondContact O-N 2.99Å; S1014-R1018 VanDerWaalsContact O-N 3.09Å
1015	I	67.6	Low	66.5	Low	93 Å²	93	86.6 Å²	86.6	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-68.3	-37.6	174.2	-56.4	171.6	0	0	0	109.1	L212 E1011 Q1012 Q1013	L212-I1015 HydrophobicContact CD1-CG2 4.4Å; L212-I1015 HydrophobicContact CD2-CB 4.13Å; L212-I1015 HydrophobicContact CD2-CG2 3.64Å; E1011-I1015 WeakPolarHBondContact O-CG1 3.28Å; E1011-I1015 PolarHBondContact O-N 3.03Å; Q1012-I1015 PolarHBondContact O-N 3.12Å; Q1013-I1015 VanDerWaalsContact C-N 3.34Å
1016	L	65.5	Low	66	Low	18 Å²	18	84.4 Å²	84.4	9%	0.094	41%	0.412	C	S	.	.	H	α-helix	trans	-70.3	-39.9	176.4	-172.1	69.2	0	0	0	113.3	Y209 L212 V216 Q1012 Q1013 S1014 I1019	Y209-L1016 HydrophobicContact CD2-CD1 4.24Å; Y209-L1016 HydrophobicContact CE2-CD1 4.19Å; Y209-L1016 HydrophobicContact CE2-CG 4.4Å; L212-L1016 HydrophobicContact CB-CD1 3.65Å; L212-L1016 HydrophobicContact CD2-CB 3.98Å; L212-L1016 HydrophobicContact CD2-CD1 3.99Å; L212-L1016 HydrophobicContact CG-CB 4.24Å; L212-L1016 HydrophobicContact CG-CD1 3.95Å; V216-L1016 HydrophobicContact CG2-CD2 4.12Å; Q1012-L1016 PolarHBondContact O-N 2.92Å; Q1013-L1016 CarbonylContact O-C 3Å; Q1013-L1016 PolarHBondContact O-N 3.36Å; S1014-L1016 VanDerWaalsContact C-N 3.31Å; L1016-I1019 PolarHBondContact O-N 3.28Å
1017	Q	59.6	Low	65.6	Low	160 Å²	160	87.1 Å²	87.1	75%	0.748	43%	0.426	S	S	*	.	H	α-helix	trans	-75.5	-22.3	178.5	-76.6	-176.3	-12.8	0	0	113.8	Q1013 I1019	Q1013-Q1017 WeakPolarHBondContact O-CB 3.36Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.18Å; Q1013-Q1017 PolarHBondContact O-N 2.92Å; Q1017-I1019 PolarHBondContact O-N 3.26Å
1018	R	62.5	Low	65.4	Low	214 Å²	214	87.4 Å²	87.4	81%	0.808	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.8	171.9	-80.2	175.7	-173.1	-167.6	4.6	112.8	S1014	S1014-R1018 WeakPolarHBondContact O-CB 3.49Å; S1014-R1018 VanDerWaalsContact O-CG 3.24Å; S1014-R1018 WeakPolarHBondContact O-CG 3.36Å; S1014-R1018 PolarHBondContact O-N 2.99Å; S1014-R1018 VanDerWaalsContact O-N 3.09Å
1019	I	56.8	Low	65.4	Low	41 Å²	41	82.5 Å²	82.5	21%	0.21	41%	0.412	C	S	.	.	S	Bend	trans	-101.6	109.8	175.8	-56.4	174.8	0	0	0	106.7	Y209 L212 L1016 Q1017	Y209-I1019 HydrophobicContact CD2-CG2 4.3Å; Y209-I1019 WeakPolarHBondContact CD2-O 3.4Å; L212-I1019 HydrophobicContact CD2-CD1 4.2Å; L1016-I1019 PolarHBondContact O-N 3.28Å; Q1017-I1019 PolarHBondContact O-N 3.26Å
1020	S	54.3	Low	65.5	Low	91 Å²	91	84 Å²	84	64%	0.636	42%	0.419	S	S	*	.			trans	-59.8	138.2	-178.9	179.1	0	0	0	0	111.1	P1022	S1020-P1022 WeakPolarHBondContact O-CD 3.49Å; S1020-P1022 VanDerWaalsContact O-N 3.16Å
1021	A	55.3	Low	65.9	Low	64 Å²	64	85.5 Å²	85.5	53%	0.529	42%	0.424	S	S	.	.			trans	-64.3	110	173.1	0	0	0	0	0	109.2	Y209	Y209-A1021 HydrophobicContact CE1-CB 4.26Å; Y209-A1021 HydrophobicContact CE2-CB 4.09Å
1022	P	62.5	Low	66.2	Low	20 Å²	20	82.3 Å²	82.3	13%	0.13	42%	0.415	C	S	.	.			trans	-92	169	-174.2	35.2	-29.1	0	0	0	110.8	E205 A206 S1020 M1024	E205-P1022 VanDerWaalsContact C-CG 3.45Å; E205-P1022 HydrophobicContact CB-CB 3.94Å; E205-P1022 HydrophobicContact CB-CG 4.05Å; A206-P1022 HydrophobicContact CB-CB 4.37Å; A206-P1022 HydrophobicContact CB-CG 3.55Å; A206-P1022 VanDerWaalsContact N-CG 3.27Å; S1020-P1022 WeakPolarHBondContact O-CD 3.49Å; S1020-P1022 VanDerWaalsContact O-N 3.16Å; P1022-M1024 PolarHBondContact O-N 3.26Å
1023	N	62.4	Low	66.8	Low	66 Å²	66	79.4 Å²	79.4	35%	0.353	40%	0.402	S	S	.	.			trans	-62.8	107.8	-174.6	179.7	9.7	0	0	0	111.5	E202 K1025 A1026	E202-N1023 PolarHBondContact OE2-ND2 3.39Å; N1023-K1025 PolarHBondContact O-N 3.04Å; N1023-K1025 PolarHBondContact OD1-N 3.43Å; N1023-K1025 VanDerWaalsContact OD1-N 3.08Å; N1023-A1026 HydrophobicContact CB-CB 4.18Å; N1023-A1026 WeakPolarHBondContact O-CB 3.12Å; N1023-A1026 PolarHBondContact O-N 2.9Å
1024	M	62.5	Low	67.6	Low	136 Å²	136	83.1 Å²	83.1	67%	0.67	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18	179.7	-64.4	-116.3	68.2	0	0	113.2	P1022	P1022-M1024 PolarHBondContact O-N 3.26Å
1025	K	63	Low	68.6	Low	144 Å²	144	85.1 Å²	85.1	63%	0.626	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	4.5	170.5	-64.1	-169.6	177.4	-171.3	0	113.5	N1023 M1027 E1028 K1029	N1023-K1025 PolarHBondContact O-N 3.04Å; N1023-K1025 PolarHBondContact OD1-N 3.43Å; N1023-K1025 VanDerWaalsContact OD1-N 3.08Å; K1025-M1027 PolarHBondContact O-N 2.86Å; K1025-M1027 VanDerWaalsContact O-N 3.12Å; K1025-E1028 PolarHBondContact O-N 3.21Å; K1025-K1029 PolarHBondContact O-N 2.81Å
1026	A	64.6	Low	69.4	Low	1 Å²	1	86.2 Å²	86.2	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-56.4	-28.1	175.9	0	0	0	0	0	111.9	E202 N1023 L1030	E202-A1026 HydrophobicContact CB-CB 3.66Å; N1023-A1026 HydrophobicContact CB-CB 4.18Å; N1023-A1026 WeakPolarHBondContact O-CB 3.12Å; N1023-A1026 PolarHBondContact O-N 2.9Å; A1026-L1030 WeakPolarHBondContact O-CB 3.42Å; A1026-L1030 PolarHBondContact O-N 3.06Å
1027	M	65.8	Low	70.5	Confident	103 Å²	103	86.8 Å²	86.8	51%	0.507	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-50	176.9	-158.5	177.6	-65.5	0	0	112.3	K1025 L1030 E1031	K1025-M1027 PolarHBondContact O-N 2.86Å; K1025-M1027 VanDerWaalsContact O-N 3.12Å; M1027-L1030 PolarHBondContact O-N 3.35Å; M1027-E1031 PolarHBondContact O-N 2.99Å; M1027-E1031 VanDerWaalsContact O-N 3.13Å
1028	E	72.1	Confident	72	Confident	129 Å²	129	83.8 Å²	83.8	60%	0.603	41%	0.41	S	S	*	.	H	α-helix	trans	-67.3	-40	177.7	-64.8	175.7	171.9	0	0	112	K1025 E1031 S1032	K1025-E1028 PolarHBondContact O-N 3.21Å; E1028-E1031 PolarHBondContact O-N 3.4Å; E1028-S1032 PolarHBondContact O-N 2.95Å
1029	K	71.9	Confident	73.2	Confident	89 Å²	89	78.9 Å²	78.9	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175.9	-171.3	-178.9	172.4	-163	0	110.8	E202 K1025 S1032 V1033	E202-K1029 IonicContact OE1-NZ 2.96Å; E202-K1029 PolarHBondContact OE1-NZ 3.19Å; E202-K1029 VanDerWaalsContact OE1-NZ 3.09Å; E202-K1029 IonicContact OE2-NZ 3.61Å; K1025-K1029 PolarHBondContact O-N 2.81Å; K1029-S1032 PolarHBondContact O-N 3.48Å; K1029-S1032 PolarHBondContact O-OG 2.96Å; K1029-V1033 WeakPolarHBondContact O-CB 3.43Å; K1029-V1033 VanDerWaalsContact O-CG2 3.25Å; K1029-V1033 WeakPolarHBondContact O-CG2 3.33Å; K1029-V1033 PolarHBondContact O-N 3.44Å
1030	L	78.8	Confident	74.7	Confident	35 Å²	35	77 Å²	77	18%	0.183	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-41.1	177	-178.5	68.7	0	0	0	112.1	A199 K200 K203 A1026 M1027 R1034	A199-L1030 HydrophobicContact CB-CB 4.35Å; A199-L1030 HydrophobicContact CB-CD1 3.96Å; K200-L1030 HydrophobicContact CB-CD1 4.15Å; K203-L1030 HydrophobicContact CD-CD2 4.1Å; A1026-L1030 WeakPolarHBondContact O-CB 3.42Å; A1026-L1030 PolarHBondContact O-N 3.06Å; M1027-L1030 PolarHBondContact O-N 3.35Å; L1030-R1034 WeakPolarHBondContact O-CB 3.23Å; L1030-R1034 PolarHBondContact O-N 3.44Å
1031	E	79.6	Confident	76.4	Confident	106 Å²	106	73.3 Å²	73.3	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-49.5	176.4	-74.8	-172.7	160	0	0	111.6	M1027 E1028 V1033 R1034 D1035	M1027-E1031 PolarHBondContact O-N 2.99Å; M1027-E1031 VanDerWaalsContact O-N 3.13Å; E1028-E1031 PolarHBondContact O-N 3.4Å; E1031-V1033 VanDerWaalsContact C-N 3.34Å; E1031-V1033 PolarHBondContact O-N 3.43Å; E1031-R1034 WeakPolarHBondContact O-CB 3.38Å; E1031-R1034 PolarHBondContact O-N 2.76Å; E1031-D1035 VanDerWaalsContact O-CG 3.3Å; E1031-D1035 PolarHBondContact O-N 3.2Å
1032	S	80.4	Confident	78.2	Confident	53 Å²	53	74 Å²	74	37%	0.371	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-38.8	179.3	73	0	0	0	0	113.5	E1028 K1029 K1036	E1028-S1032 PolarHBondContact O-N 2.95Å; K1029-S1032 PolarHBondContact O-N 3.48Å; K1029-S1032 PolarHBondContact O-OG 2.96Å; S1032-K1036 WeakPolarHBondContact O-CG 3.35Å; S1032-K1036 PolarHBondContact O-N 2.93Å
1033	V	83.8	Confident	79.5	Confident	11 Å²	11	76.3 Å²	76.3	7%	0.067	37%	0.365	C	S	.	.	H	α-helix	trans	-75.9	-32.5	178.7	175.7	0	0	0	0	110.9	I192 E195 R196 K1029 E1031 F1037	I192-V1033 HydrophobicContact CG2-CG1 4.33Å; E195-V1033 HydrophobicContact CB-CG1 4.01Å; R196-V1033 HydrophobicContact CB-CG1 3.83Å; K1029-V1033 WeakPolarHBondContact O-CB 3.43Å; K1029-V1033 VanDerWaalsContact O-CG2 3.25Å; K1029-V1033 WeakPolarHBondContact O-CG2 3.33Å; K1029-V1033 PolarHBondContact O-N 3.44Å; E1031-V1033 VanDerWaalsContact C-N 3.34Å; E1031-V1033 PolarHBondContact O-N 3.43Å; V1033-F1037 WeakPolarHBondContact O-CB 3.39Å; V1033-F1037 PolarHBondContact O-N 2.98Å
1034	R	84.7	Confident	80.9	Confident	127 Å²	127	74.6 Å²	74.6	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-45.4	173.1	-176.6	-167.3	72.3	-176.8	-2.4	110.9	L1030 E1031 F1037 Q1038	L1030-R1034 WeakPolarHBondContact O-CB 3.23Å; L1030-R1034 PolarHBondContact O-N 3.44Å; E1031-R1034 WeakPolarHBondContact O-CB 3.38Å; E1031-R1034 PolarHBondContact O-N 2.76Å; R1034-F1037 WeakPolarHBondContact O-CB 3.49Å; R1034-F1037 PolarHBondContact O-N 3.41Å; R1034-Q1038 PolarHBondContact O-N 3.45Å
1035	D	86.5	Confident	82.3	Confident	87 Å²	87	72.4 Å²	72.4	47%	0.465	34%	0.342	S	S	.	.	H	α-helix	trans	-69	-42.6	-177.1	-63.5	-9	0	0	0	110.9	E1031 F1037 Q1038 E1039	E1031-D1035 VanDerWaalsContact O-CG 3.3Å; E1031-D1035 PolarHBondContact O-N 3.2Å; D1035-F1037 VanDerWaalsContact C-N 3.32Å; D1035-F1037 PolarHBondContact O-N 3.33Å; D1035-Q1038 PolarHBondContact O-N 3.37Å; D1035-E1039 PolarHBondContact O-N 3.07Å
1036	K	85	Confident	83.7	Confident	115 Å²	115	67.7 Å²	67.7	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-37.6	171.1	-72	175.1	-177.3	176.1	0	113.2	I192 S1032 T1040	I192-K1036 HydrophobicContact CG2-CB 4.36Å; S1032-K1036 WeakPolarHBondContact O-CG 3.35Å; S1032-K1036 PolarHBondContact O-N 2.93Å; K1036-T1040 WeakPolarHBondContact O-CG2 3.27Å; K1036-T1040 PolarHBondContact O-N 2.95Å; K1036-T1040 VanDerWaalsContact O-N 3.08Å; K1036-T1040 PolarHBondContact O-OG1 2.81Å
1037	F	88.8	Confident	85	Confident	31 Å²	31	67.8 Å²	67.8	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-40.1	175.8	178.4	-94.4	0	0	0	111.3	K189 I192 A193 R196 V1033 R1034 D1035 T1040 S1041	K189-F1037 HydrophobicContact CG-CE2 4.28Å; I192-F1037 HydrophobicContact CG2-CB 3.87Å; I192-F1037 HydrophobicContact CG2-CD2 4.33Å; A193-F1037 HydrophobicContact CB-CD2 4.22Å; A193-F1037 HydrophobicContact CB-CE2 3.68Å; R196-F1037 VanDerWaalsContact NH1-CD1 3.31Å; V1033-F1037 WeakPolarHBondContact O-CB 3.39Å; V1033-F1037 PolarHBondContact O-N 2.98Å; R1034-F1037 WeakPolarHBondContact O-CB 3.49Å; R1034-F1037 PolarHBondContact O-N 3.41Å; D1035-F1037 VanDerWaalsContact C-N 3.32Å; D1035-F1037 PolarHBondContact O-N 3.33Å; F1037-T1040 PolarHBondContact O-OG1 3.41Å; F1037-S1041 WeakPolarHBondContact O-CB 3.46Å; F1037-S1041 PolarHBondContact O-N 3.49Å
1038	Q	89.7	Confident	86.3	Confident	97 Å²	97	70.6 Å²	70.6	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-64.4	-48.8	177.7	-172.2	57.4	43.4	0	0	110.8	R1034 D1035 T1040 S1041 D1042	R1034-Q1038 PolarHBondContact O-N 3.45Å; D1035-Q1038 PolarHBondContact O-N 3.37Å; Q1038-T1040 PolarHBondContact O-N 3.44Å; Q1038-S1041 WeakPolarHBondContact O-CB 3.5Å; Q1038-S1041 PolarHBondContact O-N 2.89Å; Q1038-S1041 VanDerWaalsContact O-N 3.15Å; Q1038-D1042 PolarHBondContact NE2-OD1 2.84Å; Q1038-D1042 PolarHBondContact NE2-OD2 3.25Å; Q1038-D1042 VanDerWaalsContact NE2-OD2 3.1Å; Q1038-D1042 VanDerWaalsContact O-CG 3.26Å; Q1038-D1042 PolarHBondContact O-N 2.93Å
1039	E	89.2	Confident	87.3	Confident	110 Å²	110	70.8 Å²	70.8	51%	0.514	34%	0.335	S	S	.	.	H	α-helix	trans	-55.6	-52	176.9	-175.1	-178.3	-166.4	0	0	112	D1035 S1041 D1042 E1043	D1035-E1039 PolarHBondContact O-N 3.07Å; E1039-S1041 VanDerWaalsContact C-N 3.3Å; E1039-S1041 PolarHBondContact O-N 2.93Å; E1039-D1042 PolarHBondContact O-N 2.87Å; E1039-E1043 WeakPolarHBondContact O-CG 3.38Å; E1039-E1043 PolarHBondContact O-N 3.39Å
1040	T	87.9	Confident	88.3	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-25.8	179.2	53.5	0	0	0	0	113.6	R188 I192 K1036 F1037 Q1038 F1044	R188-T1040 HydrophobicContact CG-CG2 4.23Å; I192-T1040 HydrophobicContact CD1-CG2 3.54Å; K1036-T1040 WeakPolarHBondContact O-CG2 3.27Å; K1036-T1040 PolarHBondContact O-N 2.95Å; K1036-T1040 VanDerWaalsContact O-N 3.08Å; K1036-T1040 PolarHBondContact O-OG1 2.81Å; F1037-T1040 PolarHBondContact O-OG1 3.41Å; Q1038-T1040 PolarHBondContact O-N 3.44Å; T1040-F1044 WeakPolarHBondContact O-CB 3.49Å; T1040-F1044 PolarHBondContact O-N 2.66Å; T1040-F1044 VanDerWaalsContact O-N 3.09Å
1041	S	90.3	Very high	89	Confident	12 Å²	12	72.2 Å²	72.2	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-41.8	171.5	-171.6	0	0	0	0	111.6	K189 F1037 Q1038 E1039 F1044 E1045	K189-S1041 PolarHBondContact NZ-OG 3.46Å; F1037-S1041 WeakPolarHBondContact O-CB 3.46Å; F1037-S1041 PolarHBondContact O-N 3.49Å; Q1038-S1041 WeakPolarHBondContact O-CB 3.5Å; Q1038-S1041 PolarHBondContact O-N 2.89Å; Q1038-S1041 VanDerWaalsContact O-N 3.15Å; E1039-S1041 VanDerWaalsContact C-N 3.3Å; E1039-S1041 PolarHBondContact O-N 2.93Å; S1041-F1044 PolarHBondContact O-N 3.36Å; S1041-E1045 PolarHBondContact O-N 2.71Å
1042	D	91.8	Very high	89.6	Confident	79 Å²	79	73.8 Å²	73.8	42%	0.422	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-40.6	178.6	-65.6	-24.1	0	0	0	111.2	Q1038 E1039 F1044 E1045 A1046	Q1038-D1042 PolarHBondContact NE2-OD1 2.84Å; Q1038-D1042 PolarHBondContact NE2-OD2 3.25Å; Q1038-D1042 VanDerWaalsContact NE2-OD2 3.1Å; Q1038-D1042 VanDerWaalsContact O-CG 3.26Å; Q1038-D1042 PolarHBondContact O-N 2.93Å; E1039-D1042 PolarHBondContact O-N 2.87Å; D1042-F1044 PolarHBondContact O-N 3.46Å; D1042-E1045 PolarHBondContact O-N 3.35Å; D1042-A1046 WeakPolarHBondContact O-CB 3.31Å; D1042-A1046 PolarHBondContact O-N 2.97Å
1043	E	90.7	Very high	90.2	Very high	68 Å²	68	78.6 Å²	78.6	32%	0.318	36%	0.357	S	S	.	.	H	α-helix	trans	-57.3	-47.2	170.9	-74.7	-178.1	162.8	0	0	111.9	R188 E1039 A1046 A1047	R188-E1043 IonicContact CZ-OE2 3.8Å; R188-E1043 IonicContact NH1-OE1 2.67Å; R188-E1043 IonicContact NH1-OE2 3.35Å; R188-E1043 PolarHBondContact NH1-OE2 2.91Å; E1039-E1043 WeakPolarHBondContact O-CG 3.38Å; E1039-E1043 PolarHBondContact O-N 3.39Å; E1043-A1046 PolarHBondContact O-N 3.22Å; E1043-A1047 WeakPolarHBondContact O-CB 3.49Å; E1043-A1047 PolarHBondContact O-N 2.89Å
1044	F	92.6	Very high	90.7	Very high	30 Å²	30	78.7 Å²	78.7	13%	0.132	36%	0.359	C	S	.	.	H	α-helix	trans	-63.4	-43.9	177.7	169.7	-104	0	0	0	112.1	T182 N185 Y186 K189 T1040 S1041 D1042 A1046 A1047 R1048	T182-F1044 HydrophobicContact CG2-CD2 4.38Å; T182-F1044 HydrophobicContact CG2-CE2 3.85Å; N185-F1044 HydrophobicContact CB-CB 4.29Å; N185-F1044 HydrophobicContact CB-CD2 4.4Å; Y186-F1044 HydrophobicContact CD2-CE2 4.03Å; Y186-F1044 HydrophobicContact CD2-CZ 4.13Å; Y186-F1044 HydrophobicContact CG-CE2 4.32Å; K189-F1044 HydrophobicContact CD-CB 4.18Å; K189-F1044 HydrophobicContact CD-CD1 3.98Å; K189-F1044 HydrophobicContact CD-CG 4.17Å; T1040-F1044 WeakPolarHBondContact O-CB 3.49Å; T1040-F1044 PolarHBondContact O-N 2.66Å; T1040-F1044 VanDerWaalsContact O-N 3.09Å; S1041-F1044 PolarHBondContact O-N 3.36Å; D1042-F1044 PolarHBondContact O-N 3.46Å; F1044-A1046 VanDerWaalsContact C-N 3.34Å; F1044-A1046 PolarHBondContact O-N 2.79Å; F1044-A1047 PolarHBondContact O-N 2.93Å; F1044-R1048 VanDerWaalsContact O-CB 3.28Å; F1044-R1048 WeakPolarHBondContact O-CB 3.49Å; F1044-R1048 PolarHBondContact O-N 3.26Å
1045	E	91.9	Very high	91.2	Very high	90 Å²	90	77.5 Å²	77.5	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-39.7	176.4	-78.3	-162.5	-176.7	0	0	112.4	S1041 D1042 R1048 K1049	S1041-E1045 PolarHBondContact O-N 2.71Å; D1042-E1045 PolarHBondContact O-N 3.35Å; E1045-R1048 PolarHBondContact O-N 3.07Å; E1045-K1049 WeakPolarHBondContact O-CB 3.37Å; E1045-K1049 WeakPolarHBondContact O-CG 3.38Å; E1045-K1049 PolarHBondContact O-N 3.34Å
1046	A	92.3	Very high	91.5	Very high	46 Å²	46	78.8 Å²	78.8	38%	0.38	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-45.7	175.5	0	0	0	0	0	111.6	D1042 E1043 F1044 K1049 R1050	D1042-A1046 WeakPolarHBondContact O-CB 3.31Å; D1042-A1046 PolarHBondContact O-N 2.97Å; E1043-A1046 PolarHBondContact O-N 3.22Å; F1044-A1046 VanDerWaalsContact C-N 3.34Å; F1044-A1046 PolarHBondContact O-N 2.79Å; A1046-K1049 PolarHBondContact O-N 3.36Å; A1046-R1050 WeakPolarHBondContact O-CB 3.41Å; A1046-R1050 PolarHBondContact O-N 2.68Å
1047	A	91.8	Very high	91.9	Very high	2 Å²	2	74.4 Å²	74.4	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-60.7	-46.4	175.4	0	0	0	0	0	111.4	T182 E1043 F1044 K1049 R1050 A1051	T182-A1047 PolarHBondContact OG1-O 3.11Å; E1043-A1047 WeakPolarHBondContact O-CB 3.49Å; E1043-A1047 PolarHBondContact O-N 2.89Å; F1044-A1047 PolarHBondContact O-N 2.93Å; A1047-K1049 PolarHBondContact O-N 2.94Å; A1047-R1050 WeakPolarHBondContact O-CB 3.3Å; A1047-R1050 PolarHBondContact O-N 3.41Å; A1047-R1050 VanDerWaalsContact O-N 3.13Å; A1047-A1051 PolarHBondContact O-N 3.27Å
1048	R	92.4	Very high	92.2	Very high	162 Å²	162	73.5 Å²	73.5	61%	0.611	34%	0.342	S	S	*	.	H	α-helix	trans	-60.9	-42.9	176.8	-174.1	-178.2	179.9	-169.4	1.4	112.4	T182 F1044 E1045 R1050 A1051 K1052	T182-R1048 HydrophobicContact CG2-CB 4.22Å; F1044-R1048 VanDerWaalsContact O-CB 3.28Å; F1044-R1048 WeakPolarHBondContact O-CB 3.49Å; F1044-R1048 PolarHBondContact O-N 3.26Å; E1045-R1048 PolarHBondContact O-N 3.07Å; R1048-R1050 VanDerWaalsContact C-N 3.34Å; R1048-A1051 PolarHBondContact O-N 3.06Å; R1048-K1052 WeakPolarHBondContact O-CB 3.47Å; R1048-K1052 PolarHBondContact O-N 3.21Å
1049	K	93.4	Very high	92.4	Very high	134 Å²	134	73.1 Å²	73.1	58%	0.583	34%	0.34	S	S	*	.	H	α-helix	trans	-62.9	-40.9	174.8	-77	173.1	-175.2	166.5	0	111.1	E1045 A1046 A1047 K1052 K1053	E1045-K1049 WeakPolarHBondContact O-CB 3.37Å; E1045-K1049 WeakPolarHBondContact O-CG 3.38Å; E1045-K1049 PolarHBondContact O-N 3.34Å; A1046-K1049 PolarHBondContact O-N 3.36Å; A1047-K1049 PolarHBondContact O-N 2.94Å; K1049-K1052 PolarHBondContact O-N 2.62Å; K1049-K1053 WeakPolarHBondContact O-CG 3.43Å; K1049-K1053 PolarHBondContact O-N 3.16Å
1050	R	92.4	Very high	92.6	Very high	143 Å²	143	74.4 Å²	74.4	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-46.9	176.4	-170	-178.4	-65	114.3	0.2	111.6	A1046 A1047 R1048 K1052 K1053 A1054	A1046-R1050 WeakPolarHBondContact O-CB 3.41Å; A1046-R1050 PolarHBondContact O-N 2.68Å; A1047-R1050 WeakPolarHBondContact O-CB 3.3Å; A1047-R1050 PolarHBondContact O-N 3.41Å; A1047-R1050 VanDerWaalsContact O-N 3.13Å; R1048-R1050 VanDerWaalsContact C-N 3.34Å; R1050-K1052 PolarHBondContact O-N 3.31Å; R1050-K1053 PolarHBondContact O-N 3.31Å; R1050-A1054 WeakPolarHBondContact O-CB 3.42Å; R1050-A1054 PolarHBondContact O-N 3.46Å
1051	A	93.1	Very high	92.9	Very high	11 Å²	11	75.4 Å²	75.4	9%	0.091	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-43.8	176.3	0	0	0	0	0	111.9	A178 T182 A1047 R1048 K1053 A1054 K1055	A178-A1051 HydrophobicContact CB-CB 4.01Å; T182-A1051 WeakPolarHBondContact OG1-CB 3.37Å; A1047-A1051 PolarHBondContact O-N 3.27Å; R1048-A1051 PolarHBondContact O-N 3.06Å; A1051-K1053 PolarHBondContact O-N 2.94Å; A1051-A1054 PolarHBondContact O-N 3.04Å; A1051-K1055 WeakPolarHBondContact O-CB 2.83Å; A1051-K1055 PolarHBondContact O-N 3.32Å
1052	K	93.4	Very high	93	Very high	139 Å²	139	77.1 Å²	77.1	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-60.1	-45.5	175.4	-172.4	178.7	179.9	-178.2	0	112.1	R1048 K1049 R1050 Q1056	R1048-K1052 WeakPolarHBondContact O-CB 3.47Å; R1048-K1052 PolarHBondContact O-N 3.21Å; K1049-K1052 PolarHBondContact O-N 2.62Å; R1050-K1052 PolarHBondContact O-N 3.31Å; K1052-Q1056 WeakPolarHBondContact O-CB 3.42Å; K1052-Q1056 VanDerWaalsContact O-CG 3.31Å; K1052-Q1056 WeakPolarHBondContact O-CG 3.34Å; K1052-Q1056 PolarHBondContact O-N 3.38Å
1053	K	93.7	Very high	93.1	Very high	154 Å²	154	79.6 Å²	79.6	67%	0.67	36%	0.364	S	S	*	.	H	α-helix	trans	-64.4	-44.4	177.2	-74.7	-176	179	-173.1	0	112	K1049 R1050 A1051 Q1056 A1057	K1049-K1053 WeakPolarHBondContact O-CG 3.43Å; K1049-K1053 PolarHBondContact O-N 3.16Å; R1050-K1053 PolarHBondContact O-N 3.31Å; A1051-K1053 PolarHBondContact O-N 2.94Å; K1053-Q1056 PolarHBondContact O-N 3.37Å; K1053-A1057 WeakPolarHBondContact O-CB 3.36Å; K1053-A1057 PolarHBondContact O-N 3.02Å
1054	A	93.5	Very high	93.2	Very high	13 Å²	13	79.8 Å²	79.8	11%	0.107	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-42.9	178.4	0	0	0	0	0	111.6	M175 A178 R1050 A1051 A1057 F1058	M175-A1054 HydrophobicContact CB-CB 4.46Å; A178-A1054 HydrophobicContact CB-CB 4.31Å; R1050-A1054 WeakPolarHBondContact O-CB 3.42Å; R1050-A1054 PolarHBondContact O-N 3.46Å; A1051-A1054 PolarHBondContact O-N 3.04Å; A1054-A1057 PolarHBondContact O-N 3.34Å; A1054-F1058 WeakPolarHBondContact O-CB 3.41Å; A1054-F1058 PolarHBondContact O-N 2.98Å
1055	K	93.9	Very high	93.3	Very high	101 Å²	101	78.9 Å²	78.9	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-46.2	174.6	-175	167.7	-174.3	161.1	0	112.3	M175 A1051 A1057 F1058 E1059	M175-K1055 HydrophobicContact CG-CB 4.15Å; M175-K1055 HydrophobicContact SD-CB 4.27Å; M175-K1055 HydrophobicContact SD-CG 4.1Å; A1051-K1055 WeakPolarHBondContact O-CB 2.83Å; A1051-K1055 PolarHBondContact O-N 3.32Å; K1055-A1057 PolarHBondContact O-N 3.49Å; K1055-F1058 PolarHBondContact O-N 3.2Å; K1055-E1059 HydrophobicContact CG-CG 4.5Å; K1055-E1059 WeakPolarHBondContact O-CG 3.45Å; K1055-E1059 PolarHBondContact O-N 3.24Å
1056	Q	94.1	Very high	93.4	Very high	114 Å²	114	77 Å²	77	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.4	-75.6	176.8	-23.5	0	0	112.2	K1052 K1053 E1059 Q1060	K1052-Q1056 WeakPolarHBondContact O-CB 3.42Å; K1052-Q1056 VanDerWaalsContact O-CG 3.31Å; K1052-Q1056 WeakPolarHBondContact O-CG 3.34Å; K1052-Q1056 PolarHBondContact O-N 3.38Å; K1053-Q1056 PolarHBondContact O-N 3.37Å; Q1056-E1059 PolarHBondContact O-N 2.85Å; Q1056-Q1060 WeakPolarHBondContact O-CB 3.37Å; Q1056-Q1060 PolarHBondContact O-N 2.86Å
1057	A	92.7	Very high	93.4	Very high	24 Å²	24	78 Å²	78	20%	0.198	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-39.7	177.1	0	0	0	0	0	112.2	K1053 A1054 K1055 Q1060 I1061	K1053-A1057 WeakPolarHBondContact O-CB 3.36Å; K1053-A1057 PolarHBondContact O-N 3.02Å; A1054-A1057 PolarHBondContact O-N 3.34Å; K1055-A1057 PolarHBondContact O-N 3.49Å; A1057-Q1060 PolarHBondContact O-N 3.14Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.43Å; A1057-I1061 PolarHBondContact O-N 2.89Å
1058	F	95.4	Very high	93.3	Very high	11 Å²	11	82.1 Å²	82.1	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-49.2	174.6	172.3	-109.5	0	0	0	111.9	Y168 R171 K172 M175 A1054 K1055 Q1060 I1061 K1062	Y168-F1058 AromaticContact CD2-CE2 3.82Å; Y168-F1058 HydrophobicContact CD2-CE2 3.82Å; Y168-F1058 HydrophobicContact CD2-CZ 4.47Å; Y168-F1058 HydrophobicContact CE1-CE2 4.25Å; Y168-F1058 AromaticContact CE2-CE2 3.55Å; Y168-F1058 HydrophobicContact CE2-CE2 3.55Å; Y168-F1058 AromaticContact CE2-CZ 3.77Å; Y168-F1058 HydrophobicContact CE2-CZ 3.77Å; Y168-F1058 HydrophobicContact CG-CE2 4.3Å; Y168-F1058 AromaticContact CZ-CE2 3.77Å; Y168-F1058 AromaticContact CZ-CZ 3.85Å; R171-F1058 HydrophobicContact CB-CB 4.1Å; R171-F1058 HydrophobicContact CB-CD2 4.1Å; K172-F1058 HydrophobicContact CB-CD2 3.95Å; K172-F1058 HydrophobicContact CB-CE2 3.65Å; K172-F1058 HydrophobicContact CB-CZ 4.35Å; K172-F1058 HydrophobicContact CD-CE2 4.28Å; K172-F1058 HydrophobicContact CD-CZ 4.34Å; K172-F1058 HydrophobicContact CG-CE2 4.04Å; K172-F1058 HydrophobicContact CG-CZ 4.25Å; M175-F1058 HydrophobicContact CB-CB 4.48Å; M175-F1058 HydrophobicContact CE-CD1 4.22Å; M175-F1058 HydrophobicContact CE-CE1 4.39Å; M175-F1058 HydrophobicContact SD-CB 4.29Å; M175-F1058 HydrophobicContact SD-CD1 3.61Å; M175-F1058 HydrophobicContact SD-CE1 4.3Å; M175-F1058 HydrophobicContact SD-CG 4.15Å; A1054-F1058 WeakPolarHBondContact O-CB 3.41Å; A1054-F1058 PolarHBondContact O-N 2.98Å; K1055-F1058 PolarHBondContact O-N 3.2Å; F1058-Q1060 PolarHBondContact O-N 2.68Å; F1058-I1061 PolarHBondContact O-N 3.06Å; F1058-K1062 HydrophobicContact CE1-CD 4.21Å; F1058-K1062 HydrophobicContact CZ-CB 4.42Å; F1058-K1062 HydrophobicContact CZ-CD 4.22Å; F1058-K1062 WeakPolarHBondContact O-CB 3.24Å; F1058-K1062 PolarHBondContact O-N 3.39Å
1059	E	93.3	Very high	93.4	Very high	89 Å²	89	74.4 Å²	74.4	42%	0.416	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-35.9	178.3	-71.7	-61.2	159.1	0	0	112.1	K1055 Q1056 K1063	K1055-E1059 HydrophobicContact CG-CG 4.5Å; K1055-E1059 WeakPolarHBondContact O-CG 3.45Å; K1055-E1059 PolarHBondContact O-N 3.24Å; Q1056-E1059 PolarHBondContact O-N 2.85Å; E1059-K1063 WeakPolarHBondContact O-CB 3.41Å; E1059-K1063 PolarHBondContact O-N 3.48Å
1060	Q	94.1	Very high	93.3	Very high	137 Å²	137	69.4 Å²	69.4	64%	0.64	32%	0.316	S	S	*	.	H	α-helix	trans	-64.2	-47.4	176.3	-169.7	174.6	4.8	0	0	111.9	Q1056 A1057 F1058 K1063 E1064	Q1056-Q1060 WeakPolarHBondContact O-CB 3.37Å; Q1056-Q1060 PolarHBondContact O-N 2.86Å; A1057-Q1060 PolarHBondContact O-N 3.14Å; F1058-Q1060 PolarHBondContact O-N 2.68Å; Q1060-K1063 PolarHBondContact O-N 3.38Å; Q1060-E1064 WeakPolarHBondContact O-CB 3.18Å; Q1060-E1064 PolarHBondContact O-N 2.85Å
1061	I	94.1	Very high	93.2	Very high	25 Å²	25	66.4 Å²	66.4	13%	0.128	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-39.4	178.1	-66.4	-65.1	0	0	0	111.6	E167 R171 A1057 F1058 E1064 R1065	E167-I1061 HydrophobicContact CB-CG2 4.36Å; E167-I1061 HydrophobicContact CG-CD1 3.9Å; E167-I1061 HydrophobicContact CG-CG1 4Å; E167-I1061 HydrophobicContact CG-CG2 4.22Å; R171-I1061 HydrophobicContact CG-CG1 4.4Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.43Å; A1057-I1061 PolarHBondContact O-N 2.89Å; F1058-I1061 PolarHBondContact O-N 3.06Å; I1061-E1064 PolarHBondContact O-N 3.29Å; I1061-R1065 WeakPolarHBondContact O-CB 3.35Å; I1061-R1065 PolarHBondContact O-N 2.75Å
1062	K	93.3	Very high	93.1	Very high	47 Å²	47	65.9 Å²	65.9	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-57.6	-50.4	174.1	175.9	176.6	176.2	176.8	0	110.4	Y168 F1058 R1065 F1066 E1104	Y168-K1062 HydrophobicContact CD2-CB 4.25Å; Y168-K1062 HydrophobicContact CE2-CB 4.01Å; Y168-K1062 HydrophobicContact CE2-CG 4.04Å; F1058-K1062 HydrophobicContact CE1-CD 4.21Å; F1058-K1062 HydrophobicContact CZ-CB 4.42Å; F1058-K1062 HydrophobicContact CZ-CD 4.22Å; F1058-K1062 WeakPolarHBondContact O-CB 3.24Å; F1058-K1062 PolarHBondContact O-N 3.39Å; K1062-R1065 PolarHBondContact O-N 3.01Å; K1062-F1066 WeakPolarHBondContact O-CB 3.33Å; K1062-F1066 PolarHBondContact O-N 2.92Å; K1062-E1104 WeakPolarHBondContact CE-OE1 3.3Å; K1062-E1104 IonicContact NZ-OE1 3.52Å; K1062-E1104 IonicContact NZ-OE2 2.74Å
1063	K	93.3	Very high	93	Very high	132 Å²	132	59.9 Å²	59.9	57%	0.574	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-47.2	178.5	-176.2	176.6	179.1	-177.3	0	111.6	E1059 Q1060 R1065 F1066 D1067	E1059-K1063 WeakPolarHBondContact O-CB 3.41Å; E1059-K1063 PolarHBondContact O-N 3.48Å; Q1060-K1063 PolarHBondContact O-N 3.38Å; K1063-R1065 VanDerWaalsContact C-N 3.34Å; K1063-R1065 PolarHBondContact O-N 3.36Å; K1063-F1066 PolarHBondContact O-N 3.31Å; K1063-D1067 VanDerWaalsContact CE-OD2 3.31Å; K1063-D1067 WeakPolarHBondContact CE-OD2 3.3Å; K1063-D1067 WeakPolarHBondContact CG-OD2 3.41Å; K1063-D1067 WeakPolarHBondContact O-CB 3.39Å; K1063-D1067 PolarHBondContact O-N 2.81Å
1064	E	92.9	Very high	92.9	Very high	71 Å²	71	57.5 Å²	57.5	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-41.2	179.8	-170.3	-179.3	171	0	0	112.3	L164 Q1060 I1061 R1068	L164-E1064 HydrophobicContact CD1-CB 4.17Å; L164-E1064 HydrophobicContact CD1-CG 3.84Å; Q1060-E1064 WeakPolarHBondContact O-CB 3.18Å; Q1060-E1064 PolarHBondContact O-N 2.85Å; I1061-E1064 PolarHBondContact O-N 3.29Å; E1064-R1068 WeakPolarHBondContact O-CB 3.45Å; E1064-R1068 VanDerWaalsContact O-CG 3.3Å; E1064-R1068 WeakPolarHBondContact O-CG 3.46Å; E1064-R1068 PolarHBondContact O-N 2.84Å; E1064-R1068 VanDerWaalsContact O-N 3.07Å; E1064-R1068 IonicContact OE1-CZ 2.69Å; E1064-R1068 IonicContact OE1-NE 2.72Å; E1064-R1068 PolarHBondContact OE1-NE 3.41Å; E1064-R1068 IonicContact OE1-NH2 2.7Å; E1064-R1068 PolarHBondContact OE1-NH2 2.95Å
1065	R	93.9	Very high	92.7	Very high	11 Å²	11	58.7 Å²	58.7	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-44.3	175.7	-172.7	178.6	-179.5	-164.9	-2.7	111.6	E156 L164 I1061 K1062 K1063 F1069 Y1106	E156-R1065 IonicContact OE1-CZ 3.84Å; E156-R1065 IonicContact OE1-NE 3.55Å; E156-R1065 PolarHBondContact OE1-NE 3.44Å; E156-R1065 IonicContact OE1-NH2 2.81Å; E156-R1065 PolarHBondContact OE1-NH2 3.24Å; E156-R1065 IonicContact OE2-NH2 3.73Å; E156-R1065 PolarHBondContact OE2-NH2 2.95Å; L164-R1065 HydrophobicContact CB-CB 4.12Å; L164-R1065 HydrophobicContact CB-CG 4.22Å; L164-R1065 HydrophobicContact CD1-CB 4.05Å; I1061-R1065 WeakPolarHBondContact O-CB 3.35Å; I1061-R1065 PolarHBondContact O-N 2.75Å; K1062-R1065 PolarHBondContact O-N 3.01Å; K1063-R1065 VanDerWaalsContact C-N 3.34Å; K1063-R1065 PolarHBondContact O-N 3.36Å; R1065-F1069 WeakPolarHBondContact O-CB 3.49Å; R1065-F1069 PolarHBondContact O-N 3.21Å; R1065-F1069 VanDerWaalsContact O-N 3.15Å; R1065-Y1106 HydrophobicContact CG-CD1 4.15Å; R1065-Y1106 HydrophobicContact CG-CE1 4.14Å; R1065-Y1106 HydrophobicContact CG-CG 4.45Å; R1065-Y1106 VanDerWaalsContact CZ-CD2 3.48Å
1066	F	93.4	Very high	92.5	Very high	50 Å²	50	53.9 Å²	53.9	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-52.2	175.7	177.4	-93.6	0	0	0	111.7	K1062 K1063 R1068 F1069 N1070 P1102 E1103 P1105 Y1106	K1062-F1066 WeakPolarHBondContact O-CB 3.33Å; K1062-F1066 PolarHBondContact O-N 2.92Å; K1063-F1066 PolarHBondContact O-N 3.31Å; F1066-R1068 VanDerWaalsContact C-N 3.33Å; F1066-R1068 PolarHBondContact O-N 3.5Å; F1066-F1069 PolarHBondContact O-N 2.9Å; F1066-F1069 VanDerWaalsContact O-N 3.17Å; F1066-N1070 HydrophobicContact CD1-CB 4.37Å; F1066-N1070 HydrophobicContact CE1-CB 3.99Å; F1066-N1070 HydrophobicContact CE2-CB 4.36Å; F1066-N1070 HydrophobicContact CZ-CB 3.97Å; F1066-N1070 VanDerWaalsContact O-CB 3.26Å; F1066-N1070 WeakPolarHBondContact O-CB 3.4Å; F1066-N1070 PolarHBondContact O-N 3.37Å; F1066-P1102 WeakPolarHBondContact CE2-O 3.4Å; F1066-E1103 VanDerWaalsContact CD2-O 3.27Å; F1066-E1103 WeakPolarHBondContact CD2-O 3.36Å; F1066-E1103 WeakPolarHBondContact CE2-O 3.5Å; F1066-P1105 HydrophobicContact CD2-CG 4.32Å; F1066-P1105 HydrophobicContact CE2-CG 4.18Å; F1066-Y1106 HydrophobicContact CB-CE1 4.04Å; F1066-Y1106 HydrophobicContact CD2-CE1 4.39Å
1067	D	92.4	Very high	92.3	Very high	69 Å²	69	49.8 Å²	49.8	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-45	-177.2	-69.9	-12.5	0	0	0	110.6	K1063 F1069 T1071	K1063-D1067 VanDerWaalsContact CE-OD2 3.31Å; K1063-D1067 WeakPolarHBondContact CE-OD2 3.3Å; K1063-D1067 WeakPolarHBondContact CG-OD2 3.41Å; K1063-D1067 WeakPolarHBondContact O-CB 3.39Å; K1063-D1067 PolarHBondContact O-N 2.81Å; D1067-F1069 PolarHBondContact O-N 2.96Å; D1067-T1071 VanDerWaalsContact O-CB 3.28Å; D1067-T1071 WeakPolarHBondContact O-CB 3.38Å; D1067-T1071 PolarHBondContact O-N 3.46Å; D1067-T1071 PolarHBondContact O-OG1 3.06Å
1068	R	91.7	Very high	92.2	Very high	87 Å²	87	53.3 Å²	53.3	33%	0.328	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-46.8	176.5	-73.6	-178	-171.8	-155.9	3.2	112.3	S159 E1064 F1066 C1072	S159-R1068 WeakPolarHBondContact CB-O 3.15Å; E1064-R1068 WeakPolarHBondContact O-CB 3.45Å; E1064-R1068 VanDerWaalsContact O-CG 3.3Å; E1064-R1068 WeakPolarHBondContact O-CG 3.46Å; E1064-R1068 PolarHBondContact O-N 2.84Å; E1064-R1068 VanDerWaalsContact O-N 3.07Å; E1064-R1068 IonicContact OE1-CZ 2.69Å; E1064-R1068 IonicContact OE1-NE 2.72Å; E1064-R1068 PolarHBondContact OE1-NE 3.41Å; E1064-R1068 IonicContact OE1-NH2 2.7Å; E1064-R1068 PolarHBondContact OE1-NH2 2.95Å; F1066-R1068 VanDerWaalsContact C-N 3.33Å; F1066-R1068 PolarHBondContact O-N 3.5Å; R1068-C1072 PolarHBondContact O-N 2.95Å
1069	F	93.2	Very high	91.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-50.1	-179.6	-177.8	-82.8	0	0	0	111.4	T152 F155 E156 R1065 F1066 D1067 T1071 C1072 F1073 P1105 Y1106 I1110	T152-F1069 HydrophobicContact CG2-CE2 3.92Å; T152-F1069 HydrophobicContact CG2-CZ 4.03Å; F155-F1069 HydrophobicContact CB-CE2 3.87Å; F155-F1069 HydrophobicContact CB-CZ 4.27Å; E156-F1069 HydrophobicContact CG-CD2 3.87Å; E156-F1069 HydrophobicContact CG-CE2 3.86Å; R1065-F1069 WeakPolarHBondContact O-CB 3.49Å; R1065-F1069 PolarHBondContact O-N 3.21Å; R1065-F1069 VanDerWaalsContact O-N 3.15Å; F1066-F1069 PolarHBondContact O-N 2.9Å; F1066-F1069 VanDerWaalsContact O-N 3.17Å; D1067-F1069 PolarHBondContact O-N 2.96Å; F1069-T1071 PolarHBondContact O-N 3.33Å; F1069-C1072 WeakPolarHBondContact O-CB 3.35Å; F1069-C1072 PolarHBondContact O-N 2.64Å; F1069-F1073 HydrophobicContact CD1-CB 4.21Å; F1069-F1073 HydrophobicContact CE1-CB 4.05Å; F1069-F1073 HydrophobicContact CE1-CG 4.31Å; F1069-F1073 WeakPolarHBondContact O-CB 3.46Å; F1069-F1073 PolarHBondContact O-N 3.45Å; F1069-P1105 HydrophobicContact CD1-CB 4.05Å; F1069-P1105 HydrophobicContact CD1-CG 3.46Å; F1069-P1105 VanDerWaalsContact CD1-CG 3.46Å; F1069-P1105 HydrophobicContact CE1-CB 3.48Å; F1069-P1105 VanDerWaalsContact CE1-CB 3.48Å; F1069-P1105 HydrophobicContact CE1-CG 3.45Å; F1069-P1105 VanDerWaalsContact CE1-CG 3.45Å; F1069-P1105 HydrophobicContact CG-CG 4.43Å; F1069-P1105 HydrophobicContact CZ-CB 4.11Å; F1069-P1105 HydrophobicContact CZ-CG 4.36Å; F1069-Y1106 HydrophobicContact CB-CD1 4.38Å; F1069-Y1106 HydrophobicContact CG-CD1 4.49Å; F1069-I1110 HydrophobicContact CE1-CD1 4.48Å; F1069-I1110 HydrophobicContact CZ-CD1 3.76Å; F1069-I1110 HydrophobicContact CZ-CG1 4.3Å
1070	N	91.7	Very high	91.8	Very high	30 Å²	30	51 Å²	51	16%	0.16	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-37.7	-172.9	-162.5	53.4	0	0	0	111.5	F1066 C1072 F1073 E1074	F1066-N1070 HydrophobicContact CD1-CB 4.37Å; F1066-N1070 HydrophobicContact CE1-CB 3.99Å; F1066-N1070 HydrophobicContact CE2-CB 4.36Å; F1066-N1070 HydrophobicContact CZ-CB 3.97Å; F1066-N1070 VanDerWaalsContact O-CB 3.26Å; F1066-N1070 WeakPolarHBondContact O-CB 3.4Å; F1066-N1070 PolarHBondContact O-N 3.37Å; N1070-C1072 VanDerWaalsContact C-N 3.31Å; N1070-C1072 PolarHBondContact O-N 2.78Å; N1070-F1073 PolarHBondContact O-N 3.37Å; N1070-E1074 PolarHBondContact ND2-OE1 3.44Å; N1070-E1074 WeakPolarHBondContact O-CB 3.45Å; N1070-E1074 WeakPolarHBondContact O-CG 3.5Å; N1070-E1074 PolarHBondContact O-N 3.49Å
1071	T	90.9	Very high	91.6	Very high	79 Å²	79	46 Å²	46	49%	0.485	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-43.9	173.7	-55.3	0	0	0	0	111.5	D1067 F1069 S1075 Y1146	D1067-T1071 VanDerWaalsContact O-CB 3.28Å; D1067-T1071 WeakPolarHBondContact O-CB 3.38Å; D1067-T1071 PolarHBondContact O-N 3.46Å; D1067-T1071 PolarHBondContact O-OG1 3.06Å; F1069-T1071 PolarHBondContact O-N 3.33Å; T1071-S1075 WeakPolarHBondContact O-CB 3.18Å; T1071-S1075 PolarHBondContact O-N 3.44Å; T1071-Y1146 HydrophobicContact CG2-CE2 4.22Å
1072	C	90	Very high	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-45.4	175.5	-177.7	0	0	0	0	111.5	R1068 F1069 N1070 V1076 Y1146	R1068-C1072 PolarHBondContact O-N 2.95Å; F1069-C1072 WeakPolarHBondContact O-CB 3.35Å; F1069-C1072 PolarHBondContact O-N 2.64Å; N1070-C1072 VanDerWaalsContact C-N 3.31Å; N1070-C1072 PolarHBondContact O-N 2.78Å; C1072-V1076 VanDerWaalsContact O-CG2 3.26Å; C1072-V1076 WeakPolarHBondContact O-CG2 3.48Å; C1072-V1076 PolarHBondContact O-N 3.11Å; C1072-V1076 VanDerWaalsContact O-N 3.17Å; C1072-Y1146 HydrophobicContact CB-CD1 4.04Å; C1072-Y1146 HydrophobicContact CB-CE1 3.55Å; C1072-Y1146 HydrophobicContact CB-CE2 4.29Å; C1072-Y1146 WeakPolarHBondContact SG-CD1 3.45Å; C1072-Y1146 VanDerWaalsContact SG-CE1 3.51Å
1073	F	91.7	Very high	91.1	Very high	13 Å²	13	50.2 Å²	50.2	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-48.3	-176.3	177.7	-99.1	0	0	0	112.2	F155 F1069 N1070 S1075 V1076 A1077 L1097 P1099 I1110	F155-F1073 HydrophobicContact CD1-CD2 4.37Å; F155-F1073 HydrophobicContact CE1-CD2 4.17Å; F155-F1073 HydrophobicContact CZ-CD2 4.43Å; F1069-F1073 HydrophobicContact CD1-CB 4.21Å; F1069-F1073 HydrophobicContact CE1-CB 4.05Å; F1069-F1073 HydrophobicContact CE1-CG 4.31Å; F1069-F1073 WeakPolarHBondContact O-CB 3.46Å; F1069-F1073 PolarHBondContact O-N 3.45Å; N1070-F1073 PolarHBondContact O-N 3.37Å; F1073-S1075 PolarHBondContact O-N 2.93Å; F1073-V1076 PolarHBondContact O-N 3.48Å; F1073-A1077 HydrophobicContact CE1-CB 4.25Å; F1073-A1077 HydrophobicContact CZ-CB 4.29Å; F1073-A1077 VanDerWaalsContact O-CB 3.22Å; F1073-A1077 WeakPolarHBondContact O-CB 3.45Å; F1073-A1077 PolarHBondContact O-N 3.34Å; F1073-L1097 HydrophobicContact CE2-CB 4.05Å; F1073-L1097 HydrophobicContact CZ-CB 4.07Å; F1073-P1099 HydrophobicContact CE1-CG 4.15Å; F1073-P1099 HydrophobicContact CZ-CG 4.36Å; F1073-I1110 HydrophobicContact CD2-CD1 3.88Å; F1073-I1110 HydrophobicContact CD2-CG1 4.45Å; F1073-I1110 HydrophobicContact CD2-CG2 4.5Å; F1073-I1110 HydrophobicContact CE2-CD1 4.04Å; F1073-I1110 HydrophobicContact CE2-CG1 4.21Å; F1073-I1110 HydrophobicContact CE2-CG2 3.67Å; F1073-I1110 HydrophobicContact CZ-CG2 4.48Å
1074	E	90.4	Very high	90.9	Very high	105 Å²	105	44.1 Å²	44.1	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-41.7	180	-75.1	-179	173	0	0	112.2	N1070 V1076 A1077 T1078	N1070-E1074 PolarHBondContact ND2-OE1 3.44Å; N1070-E1074 WeakPolarHBondContact O-CB 3.45Å; N1070-E1074 WeakPolarHBondContact O-CG 3.5Å; N1070-E1074 PolarHBondContact O-N 3.49Å; E1074-V1076 VanDerWaalsContact C-N 3.34Å; E1074-V1076 PolarHBondContact O-N 3.16Å; E1074-A1077 PolarHBondContact O-N 3.12Å; E1074-T1078 WeakPolarHBondContact O-CB 3.45Å; E1074-T1078 PolarHBondContact O-N 2.95Å; E1074-T1078 PolarHBondContact O-OG1 3.18Å
1075	S	90.1	Very high	90.7	Very high	37 Å²	37	43.9 Å²	43.9	26%	0.259	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-45.3	175.5	-178.3	0	0	0	0	111.5	T1071 F1073 N1079	T1071-S1075 WeakPolarHBondContact O-CB 3.18Å; T1071-S1075 PolarHBondContact O-N 3.44Å; F1073-S1075 PolarHBondContact O-N 2.93Å; S1075-N1079 PolarHBondContact O-N 3.39Å; S1075-N1079 PolarHBondContact O-ND2 2.8Å
1076	V	90.6	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-42.2	179.1	176.3	0	0	0	0	111	F155 C1072 F1073 E1074 T1078 N1079 I1080 L1097 L1139 A1142 I1143	F155-V1076 HydrophobicContact CE1-CB 3.82Å; F155-V1076 HydrophobicContact CE1-CG1 3.88Å; F155-V1076 HydrophobicContact CE1-CG2 3.94Å; F155-V1076 HydrophobicContact CZ-CB 4.24Å; F155-V1076 HydrophobicContact CZ-CG1 3.79Å; C1072-V1076 VanDerWaalsContact O-CG2 3.26Å; C1072-V1076 WeakPolarHBondContact O-CG2 3.48Å; C1072-V1076 PolarHBondContact O-N 3.11Å; C1072-V1076 VanDerWaalsContact O-N 3.17Å; F1073-V1076 PolarHBondContact O-N 3.48Å; E1074-V1076 VanDerWaalsContact C-N 3.34Å; E1074-V1076 PolarHBondContact O-N 3.16Å; V1076-T1078 VanDerWaalsContact C-N 3.27Å; V1076-T1078 PolarHBondContact O-N 3.06Å; V1076-N1079 PolarHBondContact O-N 3.45Å; V1076-I1080 VanDerWaalsContact O-CB 3.3Å; V1076-I1080 WeakPolarHBondContact O-CB 3.44Å; V1076-I1080 PolarHBondContact O-N 3.45Å; V1076-L1097 HydrophobicContact CG1-CD1 3.82Å; V1076-L1139 HydrophobicContact CG1-CD1 4.3Å; V1076-A1142 HydrophobicContact CG1-CB 3.76Å; V1076-I1143 HydrophobicContact CG1-CG1 4.28Å; V1076-I1143 HydrophobicContact CG2-CG1 4.36Å
1077	A	89.9	Confident	89.9	Confident	28 Å²	28	43.1 Å²	43.1	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-29.2	-178.7	0	0	0	0	0	113.1	F1073 E1074 I1080 L1097	F1073-A1077 HydrophobicContact CE1-CB 4.25Å; F1073-A1077 HydrophobicContact CZ-CB 4.29Å; F1073-A1077 VanDerWaalsContact O-CB 3.22Å; F1073-A1077 WeakPolarHBondContact O-CB 3.45Å; F1073-A1077 PolarHBondContact O-N 3.34Å; E1074-A1077 PolarHBondContact O-N 3.12Å; A1077-I1080 WeakPolarHBondContact O-CG2 3.32Å; A1077-L1097 HydrophobicContact CB-CB 4.08Å
1078	T	89.8	Confident	89.4	Confident	98 Å²	98	40.1 Å²	40.1	60%	0.601	22%	0.216	S	C	*	.	H	α-helix	trans	-78.1	-42.2	177	-56.6	0	0	0	0	111	E1074 V1076	E1074-T1078 WeakPolarHBondContact O-CB 3.45Å; E1074-T1078 PolarHBondContact O-N 2.95Å; E1074-T1078 PolarHBondContact O-OG1 3.18Å; V1076-T1078 VanDerWaalsContact C-N 3.27Å; V1076-T1078 PolarHBondContact O-N 3.06Å
1079	N	89.8	Confident	88.8	Confident	51 Å²	51	43 Å²	43	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-80.7	-24.1	-175.7	-66.1	-11.2	0	0	0	113.6	S1075 V1076 D1081 E1082 I1083 S1145	S1075-N1079 PolarHBondContact O-N 3.39Å; S1075-N1079 PolarHBondContact O-ND2 2.8Å; V1076-N1079 PolarHBondContact O-N 3.45Å; N1079-D1081 VanDerWaalsContact C-N 3.33Å; N1079-D1081 PolarHBondContact O-N 2.98Å; N1079-E1082 PolarHBondContact O-N 3.16Å; N1079-I1083 HydrophobicContact CB-CD1 4.12Å; N1079-I1083 WeakPolarHBondContact O-CB 3.24Å; N1079-I1083 WeakPolarHBondContact O-CD1 3.29Å; N1079-I1083 VanDerWaalsContact O-CG1 3.25Å; N1079-I1083 WeakPolarHBondContact O-CG1 3.43Å; N1079-I1083 PolarHBondContact O-N 3.36Å; N1079-I1083 VanDerWaalsContact O-N 3.08Å; N1079-S1145 PolarHBondContact ND2-OG 2.97Å
1080	I	91.1	Very high	88.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-36.2	-172.7	-165.2	163	0	0	0	113.7	V1076 A1077 Y1084 A1095 L1097 Y1112 L1139 A1142	V1076-I1080 VanDerWaalsContact O-CB 3.3Å; V1076-I1080 WeakPolarHBondContact O-CB 3.44Å; V1076-I1080 PolarHBondContact O-N 3.45Å; A1077-I1080 WeakPolarHBondContact O-CG2 3.32Å; I1080-Y1084 VanDerWaalsContact O-CB 3.24Å; I1080-Y1084 WeakPolarHBondContact O-CB 3.39Å; I1080-Y1084 PolarHBondContact O-N 2.85Å; I1080-A1095 HydrophobicContact CG1-CB 4.21Å; I1080-L1097 HydrophobicContact CB-CD1 4.43Å; I1080-L1097 HydrophobicContact CD1-CD1 3.56Å; I1080-L1097 HydrophobicContact CD1-CG 3.97Å; I1080-L1097 HydrophobicContact CG2-CD1 4.14Å; I1080-L1097 HydrophobicContact CG2-CG 4.44Å; I1080-Y1112 HydrophobicContact CD1-CD2 4.03Å; I1080-Y1112 HydrophobicContact CD1-CE2 3.32Å; I1080-Y1112 HydrophobicContact CG1-CE2 4.21Å; I1080-L1139 HydrophobicContact CD1-CB 4.04Å; I1080-L1139 HydrophobicContact CD1-CD1 3.61Å; I1080-L1139 HydrophobicContact CD1-CG 4.44Å; I1080-A1142 HydrophobicContact CB-CB 3.9Å; I1080-A1142 HydrophobicContact CD1-CB 4.5Å; I1080-A1142 HydrophobicContact CG1-CB 4.11Å
1081	D	89.4	Confident	87.5	Confident	33 Å²	33	49.3 Å²	49.3	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-44.5	-178.4	-172.2	54	0	0	0	111.4	N1079 Y1084 K1085 Q1094 A1095	N1079-D1081 VanDerWaalsContact C-N 3.33Å; N1079-D1081 PolarHBondContact O-N 2.98Å; D1081-Y1084 PolarHBondContact O-N 3.25Å; D1081-K1085 WeakPolarHBondContact O-CB 3.46Å; D1081-K1085 WeakPolarHBondContact O-CG 3.47Å; D1081-K1085 PolarHBondContact O-N 3.32Å; D1081-K1085 IonicContact OD1-NZ 2.71Å; D1081-K1085 VanDerWaalsContact OD2-CE 3.28Å; D1081-K1085 WeakPolarHBondContact OD2-CE 3.34Å; D1081-K1085 IonicContact OD2-NZ 2.78Å; D1081-K1085 PolarHBondContact OD2-NZ 2.92Å; D1081-Q1094 WeakPolarHBondContact OD1-CA 3.28Å; D1081-A1095 PolarHBondContact OD1-N 3.34Å
1082	E	88.1	Confident	87	Confident	141 Å²	141	49.1 Å²	49.1	66%	0.659	27%	0.271	S	S	*	.	H	α-helix	trans	-64.1	-43.7	176.6	-64.1	-169.7	164.9	0	0	111.6	N1079 Y1084 K1085 A1086	N1079-E1082 PolarHBondContact O-N 3.16Å; E1082-Y1084 PolarHBondContact O-N 3.39Å; E1082-K1085 PolarHBondContact O-N 2.96Å; E1082-A1086 WeakPolarHBondContact O-CB 3.39Å; E1082-A1086 PolarHBondContact O-N 3.37Å
1083	I	88.8	Confident	86.7	Confident	20 Å²	20	49.1 Å²	49.1	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-42.7	177.4	-68.3	169.2	0	0	0	110.8	N1079 A1086 L1087 A1138 F1141 A1142	N1079-I1083 HydrophobicContact CB-CD1 4.12Å; N1079-I1083 WeakPolarHBondContact O-CB 3.24Å; N1079-I1083 WeakPolarHBondContact O-CD1 3.29Å; N1079-I1083 VanDerWaalsContact O-CG1 3.25Å; N1079-I1083 WeakPolarHBondContact O-CG1 3.43Å; N1079-I1083 PolarHBondContact O-N 3.36Å; N1079-I1083 VanDerWaalsContact O-N 3.08Å; I1083-A1086 PolarHBondContact O-N 2.86Å; I1083-L1087 HydrophobicContact CG2-CD1 3.84Å; I1083-L1087 HydrophobicContact CG2-CG 4.48Å; I1083-L1087 WeakPolarHBondContact O-CB 3.36Å; I1083-L1087 WeakPolarHBondContact O-CG 3.38Å; I1083-L1087 PolarHBondContact O-N 2.92Å; I1083-A1138 HydrophobicContact CG2-CB 4.17Å; I1083-F1141 HydrophobicContact CD1-CB 4.46Å; I1083-F1141 HydrophobicContact CG2-CB 3.95Å; I1083-A1142 HydrophobicContact CD1-CB 3.93Å
1084	Y	89.1	Confident	86.5	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-38.7	178.6	-171.6	-111.3	0	0	0	112.3	I1080 D1081 E1082 S1088 A1093 A1095 C1114 V1134 A1135 A1138	I1080-Y1084 VanDerWaalsContact O-CB 3.24Å; I1080-Y1084 WeakPolarHBondContact O-CB 3.39Å; I1080-Y1084 PolarHBondContact O-N 2.85Å; D1081-Y1084 PolarHBondContact O-N 3.25Å; E1082-Y1084 PolarHBondContact O-N 3.39Å; Y1084-S1088 WeakPolarHBondContact O-CB 3.2Å; Y1084-S1088 PolarHBondContact O-N 3.41Å; Y1084-S1088 PolarHBondContact O-OG 2.98Å; Y1084-A1093 HydrophobicContact CD1-CB 3.96Å; Y1084-A1093 HydrophobicContact CE1-CB 3.85Å; Y1084-A1095 HydrophobicContact CD1-CB 3.87Å; Y1084-A1095 HydrophobicContact CG-CB 3.8Å; Y1084-C1114 HydrophobicContact CE1-CB 4.05Å; Y1084-C1114 HydrophobicContact CE2-CB 4.41Å; Y1084-V1134 HydrophobicContact CD2-CG1 4.4Å; Y1084-V1134 HydrophobicContact CE2-CG1 4.05Å; Y1084-A1135 HydrophobicContact CE2-CB 3.84Å; Y1084-A1138 HydrophobicContact CD2-CB 3.72Å; Y1084-A1138 HydrophobicContact CG-CB 4.36Å
1085	K	88.3	Confident	86.4	Confident	67 Å²	67	47.4 Å²	47.4	29%	0.291	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-42.3	172	-76.6	167.8	177.1	165.1	0	112.2	D1081 E1082 S1088 R1089 N1090 A1093	D1081-K1085 WeakPolarHBondContact O-CB 3.46Å; D1081-K1085 WeakPolarHBondContact O-CG 3.47Å; D1081-K1085 PolarHBondContact O-N 3.32Å; D1081-K1085 IonicContact OD1-NZ 2.71Å; D1081-K1085 VanDerWaalsContact OD2-CE 3.28Å; D1081-K1085 WeakPolarHBondContact OD2-CE 3.34Å; D1081-K1085 IonicContact OD2-NZ 2.78Å; D1081-K1085 PolarHBondContact OD2-NZ 2.92Å; E1082-K1085 PolarHBondContact O-N 2.96Å; K1085-S1088 PolarHBondContact O-OG 2.88Å; K1085-R1089 WeakPolarHBondContact O-CA 3.19Å; K1085-R1089 PolarHBondContact O-N 2.76Å; K1085-N1090 PolarHBondContact O-N 3.49Å; K1085-A1093 WeakPolarHBondContact CE-O 3.28Å; K1085-A1093 WeakPolarHBondContact CG-O 3.44Å
1086	A	85.1	Confident	86.3	Confident	44 Å²	44	50.4 Å²	50.4	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-46	177.9	0	0	0	0	0	112.1	E1082 I1083 S1088 R1089 Y1172	E1082-A1086 WeakPolarHBondContact O-CB 3.39Å; E1082-A1086 PolarHBondContact O-N 3.37Å; I1083-A1086 PolarHBondContact O-N 2.86Å; A1086-S1088 PolarHBondContact O-N 2.9Å; A1086-R1089 WeakPolarHBondContact O-CG 3.5Å; A1086-R1089 PolarHBondContact O-N 2.95Å; A1086-Y1172 HydrophobicContact CB-CD2 3.94Å; A1086-Y1172 HydrophobicContact CB-CE2 3.82Å
1087	L	85.1	Confident	86.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-37.5	178.6	-76.6	165.5	0	0	0	113.2	I1083 R1089 V1134 L1137 A1138 F1141 V1169 Y1172	I1083-L1087 HydrophobicContact CG2-CD1 3.84Å; I1083-L1087 HydrophobicContact CG2-CG 4.48Å; I1083-L1087 WeakPolarHBondContact O-CB 3.36Å; I1083-L1087 WeakPolarHBondContact O-CG 3.38Å; I1083-L1087 PolarHBondContact O-N 2.92Å; L1087-R1089 VanDerWaalsContact C-N 3.35Å; L1087-V1134 HydrophobicContact CB-CG1 4.08Å; L1087-L1137 HydrophobicContact CD1-CB 4.49Å; L1087-A1138 HydrophobicContact CD1-CB 3.68Å; L1087-F1141 HydrophobicContact CD1-CD2 4.09Å; L1087-F1141 HydrophobicContact CD2-CE2 4.25Å; L1087-V1169 HydrophobicContact CD2-CG2 4.35Å; L1087-Y1172 HydrophobicContact CD2-CD1 3.41Å; L1087-Y1172 VanDerWaalsContact CD2-CD1 3.41Å; L1087-Y1172 HydrophobicContact CD2-CD2 4.32Å; L1087-Y1172 HydrophobicContact CD2-CE1 3.97Å; L1087-Y1172 HydrophobicContact CD2-CG 3.6Å; L1087-Y1172 HydrophobicContact CG-CD1 4.12Å; L1087-Y1172 HydrophobicContact CG-CD2 4.41Å; L1087-Y1172 HydrophobicContact CG-CE1 4.29Å; L1087-Y1172 HydrophobicContact CG-CG 4.17Å
1088	S	81.8	Confident	86.2	Confident	6 Å²	6	51.4 Å²	51.4	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-81.6	-14.7	178.5	61	0	0	0	0	113.6	Y1084 K1085 A1086 N1090 A1093 K1168	Y1084-S1088 WeakPolarHBondContact O-CB 3.2Å; Y1084-S1088 PolarHBondContact O-N 3.41Å; Y1084-S1088 PolarHBondContact O-OG 2.98Å; K1085-S1088 PolarHBondContact O-OG 2.88Å; A1086-S1088 PolarHBondContact O-N 2.9Å; S1088-N1090 PolarHBondContact O-N 3.5Å; S1088-A1093 VanDerWaalsContact OG-CB 3.23Å; S1088-A1093 WeakPolarHBondContact OG-CB 3.35Å; S1088-K1168 PolarHBondContact O-NZ 2.85Å
1089	R	79.2	Confident	86.2	Confident	147 Å²	147	48.6 Å²	48.6	56%	0.555	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	42.4	-170	-66.5	-168.9	173.8	-171.8	-9.2	112.5	K1085 A1086 L1087 K1168 N1171	K1085-R1089 WeakPolarHBondContact O-CA 3.19Å; K1085-R1089 PolarHBondContact O-N 2.76Å; A1086-R1089 WeakPolarHBondContact O-CG 3.5Å; A1086-R1089 PolarHBondContact O-N 2.95Å; L1087-R1089 VanDerWaalsContact C-N 3.35Å; R1089-K1168 HydrophobicContact CB-CD 4.17Å; R1089-K1168 HydrophobicContact CG-CB 4.37Å; R1089-K1168 HydrophobicContact CG-CD 4.3Å; R1089-K1168 HydrophobicContact CG-CG 4.27Å; R1089-N1171 PolarHBondContact NH2-ND2 3.45Å
1090	N	79.6	Confident	86.1	Confident	56 Å²	56	51.3 Å²	51.3	30%	0.299	27%	0.274	S	S	.	.			trans	-144.4	122.6	-179.4	-163.1	-50.2	0	0	0	110.8	K1085 S1088 S1092 A1093 P1117	K1085-N1090 PolarHBondContact O-N 3.49Å; S1088-N1090 PolarHBondContact O-N 3.5Å; N1090-S1092 PolarHBondContact O-N 2.88Å; N1090-S1092 VanDerWaalsContact OD1-CB 3.25Å; N1090-S1092 WeakPolarHBondContact OD1-CB 3.41Å; N1090-S1092 PolarHBondContact OD1-N 3.39Å; N1090-S1092 PolarHBondContact OD1-OG 3.48Å; N1090-A1093 WeakPolarHBondContact O-CB 3.46Å; N1090-A1093 PolarHBondContact O-N 2.84Å; N1090-P1117 HydrophobicContact CB-CB 4.21Å; N1090-P1117 HydrophobicContact CB-CG 3.87Å
1091	S	77.8	Confident	85.8	Confident	106 Å²	106	53.4 Å²	53.4	74%	0.741	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.9	179.9	52.8	0	0	0	0	113.8
1092	S	81	Confident	85.6	Confident	75 Å²	75	56.4 Å²	56.4	52%	0.524	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.3	177.3	-52.2	0	0	0	0	113.6	N1090	N1090-S1092 PolarHBondContact O-N 2.88Å; N1090-S1092 VanDerWaalsContact OD1-CB 3.25Å; N1090-S1092 WeakPolarHBondContact OD1-CB 3.41Å; N1090-S1092 PolarHBondContact OD1-N 3.39Å; N1090-S1092 PolarHBondContact OD1-OG 3.48Å
1093	A	84	Confident	85.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.			trans	-76.4	142.3	174.7	0	0	0	0	0	110.3	Y1084 K1085 S1088 N1090 V1115 P1117	Y1084-A1093 HydrophobicContact CD1-CB 3.96Å; Y1084-A1093 HydrophobicContact CE1-CB 3.85Å; K1085-A1093 WeakPolarHBondContact CE-O 3.28Å; K1085-A1093 WeakPolarHBondContact CG-O 3.44Å; S1088-A1093 VanDerWaalsContact OG-CB 3.23Å; S1088-A1093 WeakPolarHBondContact OG-CB 3.35Å; N1090-A1093 WeakPolarHBondContact O-CB 3.46Å; N1090-A1093 PolarHBondContact O-N 2.84Å; A1093-V1115 WeakPolarHBondContact CA-O 3.3Å; A1093-P1117 HydrophobicContact CB-CG 4.27Å
1094	Q	87.4	Confident	85.3	Confident	81 Å²	81	57.1 Å²	57.1	38%	0.379	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.4	177.5	-65.4	-179	-19.2	0	0	111.5	D1081 F1096 C1114 V1115	D1081-Q1094 WeakPolarHBondContact OD1-CA 3.28Å; Q1094-F1096 HydrophobicContact CB-CD2 4.41Å; Q1094-F1096 HydrophobicContact CB-CE2 3.57Å; Q1094-F1096 HydrophobicContact CB-CZ 3.92Å; Q1094-F1096 HydrophobicContact CG-CE2 4.42Å; Q1094-F1096 HydrophobicContact CG-CZ 4.38Å; Q1094-C1114 CarbonylContact O-C 3.54Å; Q1094-C1114 WeakPolarHBondContact O-CA 3.42Å; Q1094-V1115 HydrophobicContact CB-CB 4.23Å; Q1094-V1115 HydrophobicContact CB-CG2 4.31Å; Q1094-V1115 PolarHBondContact N-O 3.4Å; Q1094-V1115 PolarHBondContact O-N 3.37Å
1095	A	88.9	Confident	85.2	Confident	2 Å²	2	57 Å²	57	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.9	174.6	0	0	0	0	0	110.7	I1080 D1081 Y1084 Y1112	I1080-A1095 HydrophobicContact CG1-CB 4.21Å; D1081-A1095 PolarHBondContact OD1-N 3.34Å; Y1084-A1095 HydrophobicContact CD1-CB 3.87Å; Y1084-A1095 HydrophobicContact CG-CB 3.8Å; A1095-Y1112 HydrophobicContact CB-CE2 4.26Å
1096	F	88.3	Confident	85.2	Confident	99 Å²	99	54.2 Å²	54.2	43%	0.434	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.2	-176.1	-60.6	-78	0	0	0	111.2	Q1094 N1113	Q1094-F1096 HydrophobicContact CB-CD2 4.41Å; Q1094-F1096 HydrophobicContact CB-CE2 3.57Å; Q1094-F1096 HydrophobicContact CB-CZ 3.92Å; Q1094-F1096 HydrophobicContact CG-CE2 4.42Å; Q1094-F1096 HydrophobicContact CG-CZ 4.38Å; F1096-N1113 PolarHBondContact N-O 3.37Å; F1096-N1113 PolarHBondContact O-N 3.12Å
1097	L	89.9	Confident	85.3	Confident	22 Å²	22	55.6 Å²	55.6	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132	169.2	-77.9	167.9	0	0	0	109.3	F155 F1073 V1076 A1077 I1080 I1110 N1111 Y1112 L1139	F155-L1097 HydrophobicContact CZ-CD1 4.18Å; F1073-L1097 HydrophobicContact CE2-CB 4.05Å; F1073-L1097 HydrophobicContact CZ-CB 4.07Å; V1076-L1097 HydrophobicContact CG1-CD1 3.82Å; A1077-L1097 HydrophobicContact CB-CB 4.08Å; I1080-L1097 HydrophobicContact CB-CD1 4.43Å; I1080-L1097 HydrophobicContact CD1-CD1 3.56Å; I1080-L1097 HydrophobicContact CD1-CG 3.97Å; I1080-L1097 HydrophobicContact CG2-CD1 4.14Å; I1080-L1097 HydrophobicContact CG2-CG 4.44Å; L1097-I1110 HydrophobicContact CD2-CG2 3.88Å; L1097-N1111 WeakPolarHBondContact CA-O 3.41Å; L1097-Y1112 HydrophobicContact CD2-CD2 3.63Å; L1097-Y1112 HydrophobicContact CD2-CG 3.9Å; L1097-Y1112 HydrophobicContact CG-CD2 3.93Å; L1097-L1139 HydrophobicContact CD1-CD1 4Å; L1097-L1139 HydrophobicContact CD2-CD1 4.44Å
1098	G	88.6	Confident	85.4	Confident	28 Å²	28	58.3 Å²	58.3	29%	0.289	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.4	178.4	0	0	0	0	0	112.3	N1111	G1098-N1111 PolarHBondContact N-O 2.96Å; G1098-N1111 PolarHBondContact O-N 3.49Å
1099	P	90	Very high	85.7	Confident	38 Å²	38	58 Å²	58	25%	0.247	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	143.1	172.6	32.8	-30.1	0	0	0	109.7	F1073 N1101 P1105	F1073-P1099 HydrophobicContact CE1-CG 4.15Å; F1073-P1099 HydrophobicContact CZ-CG 4.36Å; P1099-N1101 VanDerWaalsContact C-N 3.26Å; P1099-N1101 PolarHBondContact O-N 2.89Å; P1099-P1105 HydrophobicContact CB-CB 3.73Å; P1099-P1105 HydrophobicContact CG-CB 4.47Å
1100	E	86.7	Confident	86.2	Confident	108 Å²	108	51 Å²	51	51%	0.505	28%	0.284	S	S	.	.	S	Bend	trans	-66	-32	173.1	-73.2	173.8	171.4	0	0	112.2	D1108 G1109 N1111	E1100-D1108 HydrophobicContact CB-CB 4.11Å; E1100-G1109 WeakPolarHBondContact CB-O 3.01Å; E1100-G1109 WeakPolarHBondContact CG-O 3.39Å; E1100-G1109 PolarHBondContact N-O 2.94Å; E1100-G1109 PolarHBondContact OE2-N 3.19Å; E1100-G1109 VanDerWaalsContact OE2-N 3.08Å; E1100-N1111 VanDerWaalsContact CG-ND2 3.35Å; E1100-N1111 WeakPolarHBondContact CG-ND2 3.15Å; E1100-N1111 PolarHBondContact OE1-ND2 3.05Å
1101	N	85.1	Confident	86.6	Confident	44 Å²	44	51 Å²	51	24%	0.235	28%	0.284	C	S	.	.			trans	-125.4	106.8	179.2	-176.8	-12.3	0	0	0	110.3	P1099 E1103 E1104 P1105 D1108	P1099-N1101 VanDerWaalsContact C-N 3.26Å; P1099-N1101 PolarHBondContact O-N 2.89Å; N1101-E1103 VanDerWaalsContact C-N 3.33Å; N1101-E1103 PolarHBondContact O-N 2.9Å; N1101-E1103 PolarHBondContact OD1-N 3.09Å; N1101-E1103 VanDerWaalsContact OD1-N 3.1Å; N1101-E1104 PolarHBondContact OD1-N 3.13Å; N1101-P1105 WeakPolarHBondContact O-CA 3.43Å; N1101-P1105 WeakPolarHBondContact O-CB 3.41Å; N1101-D1108 HydrophobicContact CB-CB 4.02Å; N1101-D1108 WeakPolarHBondContact CB-OD2 3.35Å; N1101-D1108 PolarHBondContact ND2-OD2 3.23Å; N1101-D1108 VanDerWaalsContact ND2-OD2 3.07Å
1102	P	84.5	Confident	87.1	Confident	96 Å²	96	46.1 Å²	46.1	62%	0.623	25%	0.249	S	C	*	.	S	Bend	trans	-68.3	-23.6	-179.3	-23.8	35	0	0	0	115.2	F1066	F1066-P1102 WeakPolarHBondContact CE2-O 3.4Å
1103	E	83.4	Confident	87.4	Confident	150 Å²	150	44.6 Å²	44.6	70%	0.701	24%	0.235	S	C	*	.	S	Bend	trans	-83.8	-39.2	-177.4	-70.1	-166.5	167.7	0	0	112.8	F1066 N1101	F1066-E1103 VanDerWaalsContact CD2-O 3.27Å; F1066-E1103 WeakPolarHBondContact CD2-O 3.36Å; F1066-E1103 WeakPolarHBondContact CE2-O 3.5Å; N1101-E1103 VanDerWaalsContact C-N 3.33Å; N1101-E1103 PolarHBondContact O-N 2.9Å; N1101-E1103 PolarHBondContact OD1-N 3.09Å; N1101-E1103 VanDerWaalsContact OD1-N 3.1Å
1104	E	87.3	Confident	87.5	Confident	26 Å²	26	44.6 Å²	44.6	12%	0.121	24%	0.235	C	C	.	.	S	Bend	trans	-134.5	69.8	178.5	-63.8	-162	97.9	0	0	110.3	Y168 K1062 N1101 Y1106 L1107	Y168-E1104 WeakPolarHBondContact CE2-OE1 3.48Å; Y168-E1104 PolarHBondContact OH-OE1 3.41Å; Y168-E1104 PolarHBondContact OH-OE2 3.31Å; K1062-E1104 WeakPolarHBondContact CE-OE1 3.3Å; K1062-E1104 IonicContact NZ-OE1 3.52Å; K1062-E1104 IonicContact NZ-OE2 2.74Å; N1101-E1104 PolarHBondContact OD1-N 3.13Å; E1104-Y1106 HydrophobicContact CB-CE2 3.96Å; E1104-Y1106 HydrophobicContact CG-CE2 4.34Å; E1104-Y1106 WeakPolarHBondContact CG-OH 3.23Å; E1104-Y1106 PolarHBondContact O-N 3.26Å; E1104-Y1106 VanDerWaalsContact O-N 3.1Å; E1104-Y1106 PolarHBondContact OE1-OH 2.9Å; E1104-L1107 HydrophobicContact CB-CD1 3.68Å; E1104-L1107 HydrophobicContact CB-CG 3.99Å; E1104-L1107 HydrophobicContact CG-CD1 4.3Å; E1104-L1107 PolarHBondContact O-N 2.91Å
1105	P	87.8	Confident	87.4	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	-170.3	28.4	-37.9	0	0	0	113.9	T152 F1066 F1069 P1099 N1101 L1107	T152-P1105 WeakPolarHBondContact CG2-O 3.36Å; F1066-P1105 HydrophobicContact CD2-CG 4.32Å; F1066-P1105 HydrophobicContact CE2-CG 4.18Å; F1069-P1105 HydrophobicContact CD1-CB 4.05Å; F1069-P1105 HydrophobicContact CD1-CG 3.46Å; F1069-P1105 VanDerWaalsContact CD1-CG 3.46Å; F1069-P1105 HydrophobicContact CE1-CB 3.48Å; F1069-P1105 VanDerWaalsContact CE1-CB 3.48Å; F1069-P1105 HydrophobicContact CE1-CG 3.45Å; F1069-P1105 VanDerWaalsContact CE1-CG 3.45Å; F1069-P1105 HydrophobicContact CG-CG 4.43Å; F1069-P1105 HydrophobicContact CZ-CB 4.11Å; F1069-P1105 HydrophobicContact CZ-CG 4.36Å; P1099-P1105 HydrophobicContact CB-CB 3.73Å; P1099-P1105 HydrophobicContact CG-CB 4.47Å; N1101-P1105 WeakPolarHBondContact O-CA 3.43Å; N1101-P1105 WeakPolarHBondContact O-CB 3.41Å; P1105-L1107 VanDerWaalsContact C-N 3.32Å
1106	Y	88.3	Confident	87	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.035	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.7	174.5	47.4	-102.5	0	0	0	114.2	Y168 R1065 F1066 F1069 E1104	Y168-Y1106 HydrophobicContact CE2-CE2 4.38Å; R1065-Y1106 HydrophobicContact CG-CD1 4.15Å; R1065-Y1106 HydrophobicContact CG-CE1 4.14Å; R1065-Y1106 HydrophobicContact CG-CG 4.45Å; R1065-Y1106 VanDerWaalsContact CZ-CD2 3.48Å; F1066-Y1106 HydrophobicContact CB-CE1 4.04Å; F1066-Y1106 HydrophobicContact CD2-CE1 4.39Å; F1069-Y1106 HydrophobicContact CB-CD1 4.38Å; F1069-Y1106 HydrophobicContact CG-CD1 4.49Å; E1104-Y1106 HydrophobicContact CB-CE2 3.96Å; E1104-Y1106 HydrophobicContact CG-CE2 4.34Å; E1104-Y1106 WeakPolarHBondContact CG-OH 3.23Å; E1104-Y1106 PolarHBondContact O-N 3.26Å; E1104-Y1106 VanDerWaalsContact O-N 3.1Å; E1104-Y1106 PolarHBondContact OE1-OH 2.9Å
1107	L	86.9	Confident	86.4	Confident	72 Å²	72	39.3 Å²	39.3	38%	0.377	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-28.2	175.6	-64.1	-179.9	0	0	0	112.8	E1104 P1105	E1104-L1107 HydrophobicContact CB-CD1 3.68Å; E1104-L1107 HydrophobicContact CB-CG 3.99Å; E1104-L1107 HydrophobicContact CG-CD1 4.3Å; E1104-L1107 PolarHBondContact O-N 2.91Å; P1105-L1107 VanDerWaalsContact C-N 3.32Å
1108	D	87.5	Confident	85.4	Confident	59 Å²	59	42.3 Å²	42.3	32%	0.316	25%	0.254	S	S	.	.	S	Bend	trans	-120	-173	-173.6	-65.9	-51.5	0	0	0	111.7	T152 E1100 N1101	T152-D1108 WeakPolarHBondContact CG2-O 3.41Å; T152-D1108 PolarHBondContact OG1-O 3.14Å; E1100-D1108 HydrophobicContact CB-CB 4.11Å; N1101-D1108 HydrophobicContact CB-CB 4.02Å; N1101-D1108 WeakPolarHBondContact CB-OD2 3.35Å; N1101-D1108 PolarHBondContact ND2-OD2 3.23Å; N1101-D1108 VanDerWaalsContact ND2-OD2 3.07Å
1109	G	87.6	Confident	84.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-84.6	149	-174	0	0	0	0	0	114.8	E1100	E1100-G1109 WeakPolarHBondContact CB-O 3.01Å; E1100-G1109 WeakPolarHBondContact CG-O 3.39Å; E1100-G1109 PolarHBondContact N-O 2.94Å; E1100-G1109 PolarHBondContact OE2-N 3.19Å; E1100-G1109 VanDerWaalsContact OE2-N 3.08Å
1110	I	89.7	Confident	83.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.3	163.1	-61.1	170	0	0	0	109.9	P148 R151 T152 F155 F1069 F1073 L1097	P148-I1110 WeakPolarHBondContact CA-O 3.29Å; P148-I1110 PolarHBondContact O-N 3.32Å; P148-I1110 VanDerWaalsContact O-N 3.09Å; R151-I1110 HydrophobicContact CG-CB 4.42Å; R151-I1110 PolarHBondContact NH1-O 3.24Å; T152-I1110 PolarHBondContact OG1-N 3.32Å; T152-I1110 VanDerWaalsContact OG1-N 3.13Å; F155-I1110 HydrophobicContact CB-CD1 3.98Å; F155-I1110 HydrophobicContact CD2-CD1 3.34Å; F155-I1110 HydrophobicContact CE2-CD1 3.89Å; F155-I1110 HydrophobicContact CG-CD1 3.7Å; F1069-I1110 HydrophobicContact CE1-CD1 4.48Å; F1069-I1110 HydrophobicContact CZ-CD1 3.76Å; F1069-I1110 HydrophobicContact CZ-CG1 4.3Å; F1073-I1110 HydrophobicContact CD2-CD1 3.88Å; F1073-I1110 HydrophobicContact CD2-CG1 4.45Å; F1073-I1110 HydrophobicContact CD2-CG2 4.5Å; F1073-I1110 HydrophobicContact CE2-CD1 4.04Å; F1073-I1110 HydrophobicContact CE2-CG1 4.21Å; F1073-I1110 HydrophobicContact CE2-CG2 3.67Å; F1073-I1110 HydrophobicContact CZ-CG2 4.48Å; L1097-I1110 HydrophobicContact CD2-CG2 3.88Å
1111	N	88.2	Confident	83.2	Confident	55 Å²	55	54.8 Å²	54.8	29%	0.294	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.7	174.3	-72	-45.1	0	0	0	111.4	P148 L1097 G1098 E1100	P148-N1111 WeakPolarHBondContact CG-OD1 3.47Å; L1097-N1111 WeakPolarHBondContact CA-O 3.41Å; G1098-N1111 PolarHBondContact N-O 2.96Å; G1098-N1111 PolarHBondContact O-N 3.49Å; E1100-N1111 VanDerWaalsContact CG-ND2 3.35Å; E1100-N1111 WeakPolarHBondContact CG-ND2 3.15Å; E1100-N1111 PolarHBondContact OE1-ND2 3.05Å
1112	Y	89.2	Confident	82.3	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118	177.6	179.6	-140.1	0	0	0	109	R151 I1080 A1095 L1097 C1114 M1124 A1135 L1139	R151-Y1112 VanDerWaalsContact NH1-CB 3.27Å; R151-Y1112 VanDerWaalsContact NH1-N 3.12Å; I1080-Y1112 HydrophobicContact CD1-CD2 4.03Å; I1080-Y1112 HydrophobicContact CD1-CE2 3.32Å; I1080-Y1112 HydrophobicContact CG1-CE2 4.21Å; A1095-Y1112 HydrophobicContact CB-CE2 4.26Å; L1097-Y1112 HydrophobicContact CD2-CD2 3.63Å; L1097-Y1112 HydrophobicContact CD2-CG 3.9Å; L1097-Y1112 HydrophobicContact CG-CD2 3.93Å; Y1112-C1114 VanDerWaalsContact CE2-SG 3.55Å; Y1112-C1114 PolarHBondContact OH-SG 3.13Å; Y1112-C1114 VanDerWaalsContact OH-SG 3.38Å; Y1112-M1124 HydrophobicContact CD1-CE 4.09Å; Y1112-M1124 HydrophobicContact CD1-CG 4.2Å; Y1112-M1124 HydrophobicContact CE1-CE 3.74Å; Y1112-A1135 HydrophobicContact CE1-CB 4.29Å; Y1112-A1135 PolarHBondContact OH-O 3.25Å; Y1112-L1139 HydrophobicContact CD1-CD2 4.06Å; Y1112-L1139 HydrophobicContact CE1-CB 4.03Å; Y1112-L1139 HydrophobicContact CE1-CD2 4.09Å
1113	N	87.3	Confident	81.6	Confident	42 Å²	42	55.6 Å²	55.6	23%	0.225	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.4	-175.8	-63.3	-52.7	0	0	0	110.1	F1096 F1121	F1096-N1113 PolarHBondContact N-O 3.37Å; F1096-N1113 PolarHBondContact O-N 3.12Å; N1113-F1121 HydrophobicContact CB-CE2 3.71Å; N1113-F1121 HydrophobicContact CB-CZ 3.74Å
1114	C	85.3	Confident	81.1	Confident	1 Å²	1	49 Å²	49	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.4	177.3	-65.6	0	0	0	0	111.6	Y1084 Q1094 Y1112 M1124 L1127	Y1084-C1114 HydrophobicContact CE1-CB 4.05Å; Y1084-C1114 HydrophobicContact CE2-CB 4.41Å; Q1094-C1114 CarbonylContact O-C 3.54Å; Q1094-C1114 WeakPolarHBondContact O-CA 3.42Å; Y1112-C1114 VanDerWaalsContact CE2-SG 3.55Å; Y1112-C1114 PolarHBondContact OH-SG 3.13Å; Y1112-C1114 VanDerWaalsContact OH-SG 3.38Å; C1114-M1124 HydrophobicContact CB-CE 3.51Å; C1114-M1124 WeakPolarHBondContact SG-CE 3.36Å; C1114-L1127 HydrophobicContact CB-CD1 4.27Å
1115	V	85.9	Confident	80.5	Confident	20 Å²	20	53.2 Å²	53.2	12%	0.121	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	105.9	172.5	-174.1	0	0	0	0	107.4	A1093 Q1094 K1119 F1121	A1093-V1115 WeakPolarHBondContact CA-O 3.3Å; Q1094-V1115 HydrophobicContact CB-CB 4.23Å; Q1094-V1115 HydrophobicContact CB-CG2 4.31Å; Q1094-V1115 PolarHBondContact N-O 3.4Å; Q1094-V1115 PolarHBondContact O-N 3.37Å; V1115-K1119 VanDerWaalsContact CG1-O 3.31Å; V1115-K1119 WeakPolarHBondContact CG1-O 3.41Å; V1115-F1121 HydrophobicContact CG2-CB 4.48Å; V1115-F1121 HydrophobicContact CG2-CD2 4.03Å
1116	A	78.9	Confident	79.9	Confident	2 Å²	2	58.1 Å²	58.1	2%	0.017	30%	0.303	C	S	.	.			trans	-72.3	152.5	176.1	0	0	0	0	0	111.3	G1118 K1119 L1127 E1131	A1116-G1118 PolarHBondContact O-N 3.32Å; A1116-K1119 HydrophobicContact CB-CD 4.28Å; A1116-K1119 PolarHBondContact O-N 3.22Å; A1116-K1119 VanDerWaalsContact O-N 3.09Å; A1116-L1127 HydrophobicContact CB-CD2 4.19Å; A1116-E1131 HydrophobicContact CB-CG 4.19Å; A1116-E1131 WeakPolarHBondContact CB-OE1 3.48Å
1117	P	75.6	Confident	79.3	Confident	48 Å²	48	58.2 Å²	58.2	31%	0.312	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	127.3	-179.7	-28.3	35.1	0	0	0	113.6	N1090 A1093 K1119	N1090-P1117 HydrophobicContact CB-CB 4.21Å; N1090-P1117 HydrophobicContact CB-CG 3.87Å; A1093-P1117 HydrophobicContact CB-CG 4.27Å; P1117-K1119 PolarHBondContact O-N 3.46Å
1118	G	69.3	Low	78.8	Confident	86 Å²	86	57.5 Å²	57.5	89%	0.887	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	6.2	177.6	0	0	0	0	0	115.5	A1116	A1116-G1118 PolarHBondContact O-N 3.32Å
1119	K	73.9	Confident	78.2	Confident	86 Å²	86	56.4 Å²	56.4	37%	0.374	31%	0.307	S	S	.	.			trans	-114.6	153.3	178.5	-68	-179.7	-178.5	167.1	0	111.6	V1115 A1116 P1117 E1131	V1115-K1119 VanDerWaalsContact CG1-O 3.31Å; V1115-K1119 WeakPolarHBondContact CG1-O 3.41Å; A1116-K1119 HydrophobicContact CB-CD 4.28Å; A1116-K1119 PolarHBondContact O-N 3.22Å; A1116-K1119 VanDerWaalsContact O-N 3.09Å; P1117-K1119 PolarHBondContact O-N 3.46Å; K1119-E1131 VanDerWaalsContact NZ-CD 3.28Å; K1119-E1131 IonicContact NZ-OE1 3.23Å; K1119-E1131 PolarHBondContact NZ-OE1 3.39Å; K1119-E1131 IonicContact NZ-OE2 3.58Å; K1119-E1131 PolarHBondContact NZ-OE2 2.88Å; K1119-E1131 VanDerWaalsContact NZ-OE2 3.1Å
1120	R	72.3	Confident	77.7	Confident	229 Å²	229	57 Å²	57	86%	0.864	31%	0.313	S	S	*	.			trans	-75.5	159.2	171.1	-64.7	-174.6	-178.3	-174.2	0.2	110.7	R1122	R1120-R1122 PolarHBondContact O-N 3.48Å
1121	F	73.1	Confident	77.3	Confident	121 Å²	121	58.5 Å²	58.5	53%	0.531	32%	0.32	S	S	.	.			trans	-44.3	125.4	175.2	-175.8	-92.2	0	0	0	112.6	N1113 V1115	N1113-F1121 HydrophobicContact CB-CE2 3.71Å; N1113-F1121 HydrophobicContact CB-CZ 3.74Å; V1115-F1121 HydrophobicContact CG2-CB 4.48Å; V1115-F1121 HydrophobicContact CG2-CD2 4.03Å
1122	R	65.7	Low	77	Confident	94 Å²	94	57.2 Å²	57.2	36%	0.355	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.5	177.2	-72.6	-175.9	-173.4	-163.6	2.5	110.6	R1120 N1126	R1120-R1122 PolarHBondContact O-N 3.48Å; R1122-N1126 HydrophobicContact CB-CB 4.33Å
1123	P	70.1	Confident	76.7	Confident	62 Å²	62	57.1 Å²	57.1	40%	0.403	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	153	168.3	-19.9	31.1	0	0	0	111.6	D1125 N1126	P1123-D1125 PolarHBondContact O-N 3.41Å; P1123-D1125 VanDerWaalsContact O-N 3.11Å; P1123-N1126 PolarHBondContact O-N 2.9Å
1124	M	74	Confident	76.6	Confident	13 Å²	13	55.4 Å²	55.4	6%	0.064	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-49.2	-39.1	-177.7	-96.5	-64.7	145.1	0	0	114.3	A144 Y1112 C1114 N1126 L1127 K1132 A1135	A144-M1124 HydrophobicContact CB-SD 4.28Å; Y1112-M1124 HydrophobicContact CD1-CE 4.09Å; Y1112-M1124 HydrophobicContact CD1-CG 4.2Å; Y1112-M1124 HydrophobicContact CE1-CE 3.74Å; C1114-M1124 HydrophobicContact CB-CE 3.51Å; C1114-M1124 WeakPolarHBondContact SG-CE 3.36Å; M1124-N1126 PolarHBondContact O-N 3.15Å; M1124-N1126 VanDerWaalsContact O-N 3.12Å; M1124-L1127 HydrophobicContact CE-CD1 3.48Å; M1124-L1127 VanDerWaalsContact CE-CD1 3.48Å; M1124-L1127 PolarHBondContact O-N 3.38Å; M1124-L1127 HydrophobicContact SD-CD1 3.57Å; M1124-L1127 VanDerWaalsContact SD-CD1 3.57Å; M1124-K1132 WeakPolarHBondContact O-CE 3.13Å; M1124-A1135 HydrophobicContact CE-CB 3.26Å; M1124-A1135 HydrophobicContact SD-CB 4.11Å
1125	D	74.4	Confident	76.6	Confident	114 Å²	114	55.4 Å²	55.4	61%	0.61	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-60.3	-26.9	-177.6	-60.9	-35.1	0	0	0	113.4	P1123 K1132	P1123-D1125 PolarHBondContact O-N 3.41Å; P1123-D1125 VanDerWaalsContact O-N 3.11Å; D1125-K1132 WeakPolarHBondContact O-CE 3.25Å; D1125-K1132 PolarHBondContact O-NZ 2.81Å
1126	N	74.1	Confident	76.6	Confident	103 Å²	103	54.5 Å²	54.5	55%	0.551	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-97.1	7.9	-173.9	-67.7	-27.4	0	0	0	114.4	R1122 P1123 M1124	R1122-N1126 HydrophobicContact CB-CB 4.33Å; P1123-N1126 PolarHBondContact O-N 2.9Å; M1124-N1126 PolarHBondContact O-N 3.15Å; M1124-N1126 VanDerWaalsContact O-N 3.12Å
1127	L	75.6	Confident	76.8	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.058	30%	0.297	C	S	.	.	S	Bend	trans	-85.5	155.8	173.1	-69	171.7	0	0	0	111.6	C1114 A1116 M1124 E1131 K1132	C1114-L1127 HydrophobicContact CB-CD1 4.27Å; A1116-L1127 HydrophobicContact CB-CD2 4.19Å; M1124-L1127 HydrophobicContact CE-CD1 3.48Å; M1124-L1127 VanDerWaalsContact CE-CD1 3.48Å; M1124-L1127 PolarHBondContact O-N 3.38Å; M1124-L1127 HydrophobicContact SD-CD1 3.57Å; M1124-L1127 VanDerWaalsContact SD-CD1 3.57Å; L1127-E1131 HydrophobicContact CB-CB 4.03Å; L1127-E1131 HydrophobicContact CD2-CB 4.31Å; L1127-K1132 HydrophobicContact CB-CG 3.8Å; L1127-K1132 WeakPolarHBondContact O-CE 3.36Å; L1127-K1132 PolarHBondContact O-NZ 3.05Å
1128	S	77.4	Confident	77.4	Confident	57 Å²	57	52.1 Å²	52.1	40%	0.399	28%	0.282	S	S	.	.			trans	-67.3	160.9	173.9	79.5	0	0	0	0	111.4	G1130 E1131 K1132	S1128-G1130 VanDerWaalsContact C-N 3.32Å; S1128-G1130 PolarHBondContact O-N 3.4Å; S1128-E1131 PolarHBondContact N-OE2 3.27Å; S1128-E1131 PolarHBondContact O-N 3.49Å; S1128-E1131 VanDerWaalsContact O-N 3.17Å; S1128-E1131 WeakPolarHBondContact OG-CB 3.28Å; S1128-E1131 VanDerWaalsContact OG-CG 3.29Å; S1128-E1131 WeakPolarHBondContact OG-CG 3.41Å; S1128-E1131 PolarHBondContact OG-N 3.02Å; S1128-E1131 PolarHBondContact OG-OE2 2.89Å; S1128-K1132 WeakPolarHBondContact O-CB 3.07Å; S1128-K1132 VanDerWaalsContact O-CG 3.32Å; S1128-K1132 WeakPolarHBondContact O-CG 3.46Å; S1128-K1132 PolarHBondContact O-N 3.07Å
1129	G	75.1	Confident	78.3	Confident	36 Å²	36	48 Å²	48	37%	0.371	24%	0.24	S	C	.	.	H	α-helix	trans	-53.8	-46.3	176.8	0	0	0	0	0	112.9	E1131 K1132 T1133	G1129-E1131 PolarHBondContact O-N 3.16Å; G1129-K1132 PolarHBondContact O-N 3.14Å; G1129-T1133 PolarHBondContact O-N 3.11Å; G1129-T1133 PolarHBondContact O-OG1 3.44Å
1130	G	76.4	Confident	78.9	Confident	12 Å²	12	44.8 Å²	44.8	12%	0.124	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-40.4	175.6	0	0	0	0	0	113.8	S1128 T1133 V1134 A1160	S1128-G1130 VanDerWaalsContact C-N 3.32Å; S1128-G1130 PolarHBondContact O-N 3.4Å; G1130-T1133 PolarHBondContact O-N 3.07Å; G1130-V1134 WeakPolarHBondContact O-CG2 3.49Å; G1130-V1134 PolarHBondContact O-N 3.21Å; G1130-A1160 WeakPolarHBondContact CA-O 3.38Å
1131	E	81	Confident	79.5	Confident	32 Å²	32	34.2 Å²	34.2	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-37.3	177	-72.6	168.4	164.2	0	0	112.1	A1116 K1119 L1127 S1128 G1129 V1134 A1135	A1116-E1131 HydrophobicContact CB-CG 4.19Å; A1116-E1131 WeakPolarHBondContact CB-OE1 3.48Å; K1119-E1131 VanDerWaalsContact NZ-CD 3.28Å; K1119-E1131 IonicContact NZ-OE1 3.23Å; K1119-E1131 PolarHBondContact NZ-OE1 3.39Å; K1119-E1131 IonicContact NZ-OE2 3.58Å; K1119-E1131 PolarHBondContact NZ-OE2 2.88Å; K1119-E1131 VanDerWaalsContact NZ-OE2 3.1Å; L1127-E1131 HydrophobicContact CB-CB 4.03Å; L1127-E1131 HydrophobicContact CD2-CB 4.31Å; S1128-E1131 PolarHBondContact N-OE2 3.27Å; S1128-E1131 PolarHBondContact O-N 3.49Å; S1128-E1131 VanDerWaalsContact O-N 3.17Å; S1128-E1131 WeakPolarHBondContact OG-CB 3.28Å; S1128-E1131 VanDerWaalsContact OG-CG 3.29Å; S1128-E1131 WeakPolarHBondContact OG-CG 3.41Å; S1128-E1131 PolarHBondContact OG-N 3.02Å; S1128-E1131 PolarHBondContact OG-OE2 2.89Å; G1129-E1131 PolarHBondContact O-N 3.16Å; E1131-V1134 PolarHBondContact O-N 2.93Å; E1131-A1135 WeakPolarHBondContact O-CB 3.33Å; E1131-A1135 PolarHBondContact O-N 3.46Å
1132	K	82.3	Confident	80.1	Confident	28 Å²	28	28.4 Å²	28.4	12%	0.122	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-42.7	174.2	-73.4	169.2	170.5	166.6	0	111.3	M145 M1124 D1125 L1127 S1128 G1129 A1135 A1136	M145-K1132 HydrophobicContact CE-CD 3.55Å; M1124-K1132 WeakPolarHBondContact O-CE 3.13Å; D1125-K1132 WeakPolarHBondContact O-CE 3.25Å; D1125-K1132 PolarHBondContact O-NZ 2.81Å; L1127-K1132 HydrophobicContact CB-CG 3.8Å; L1127-K1132 WeakPolarHBondContact O-CE 3.36Å; L1127-K1132 PolarHBondContact O-NZ 3.05Å; S1128-K1132 WeakPolarHBondContact O-CB 3.07Å; S1128-K1132 VanDerWaalsContact O-CG 3.32Å; S1128-K1132 WeakPolarHBondContact O-CG 3.46Å; S1128-K1132 PolarHBondContact O-N 3.07Å; G1129-K1132 PolarHBondContact O-N 3.14Å; K1132-A1135 PolarHBondContact O-N 3.09Å; K1132-A1136 VanDerWaalsContact O-CB 3.29Å; K1132-A1136 WeakPolarHBondContact O-CB 3.46Å; K1132-A1136 PolarHBondContact O-N 3.34Å
1133	T	82.7	Confident	81	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-43.7	176.7	-57.5	0	0	0	0	111.4	V140 G1129 G1130 A1136 L1137 L1161	V140-T1133 HydrophobicContact CG1-CG2 3.76Å; G1129-T1133 PolarHBondContact O-N 3.11Å; G1129-T1133 PolarHBondContact O-OG1 3.44Å; G1130-T1133 PolarHBondContact O-N 3.07Å; T1133-A1136 PolarHBondContact O-N 2.99Å; T1133-L1137 HydrophobicContact CG2-CD1 4.3Å; T1133-L1137 WeakPolarHBondContact O-CB 3.32Å; T1133-L1137 VanDerWaalsContact O-CG 3.29Å; T1133-L1137 WeakPolarHBondContact O-CG 3.5Å; T1133-L1137 PolarHBondContact O-N 3.28Å; T1133-L1161 HydrophobicContact CG2-CD1 4.43Å; T1133-L1161 HydrophobicContact CG2-CD2 3.72Å; T1133-L1161 HydrophobicContact CG2-CG 3.9Å
1134	V	84.8	Confident	81.6	Confident	7 Å²	7	22.1 Å²	22.1	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175.6	174.8	0	0	0	0	111.7	Y1084 L1087 G1130 E1131 L1137 A1138 L1161	Y1084-V1134 HydrophobicContact CD2-CG1 4.4Å; Y1084-V1134 HydrophobicContact CE2-CG1 4.05Å; L1087-V1134 HydrophobicContact CB-CG1 4.08Å; G1130-V1134 WeakPolarHBondContact O-CG2 3.49Å; G1130-V1134 PolarHBondContact O-N 3.21Å; E1131-V1134 PolarHBondContact O-N 2.93Å; V1134-L1137 PolarHBondContact O-N 3.09Å; V1134-A1138 WeakPolarHBondContact O-CB 3.43Å; V1134-A1138 PolarHBondContact O-N 3.47Å; V1134-L1161 HydrophobicContact CG2-CD2 3.93Å
1135	A	86.1	Confident	82	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.4	-34.1	177.6	0	0	0	0	0	113.3	Y1084 Y1112 M1124 E1131 K1132 A1138 L1139	Y1084-A1135 HydrophobicContact CE2-CB 3.84Å; Y1112-A1135 HydrophobicContact CE1-CB 4.29Å; Y1112-A1135 PolarHBondContact OH-O 3.25Å; M1124-A1135 HydrophobicContact CE-CB 3.26Å; M1124-A1135 HydrophobicContact SD-CB 4.11Å; E1131-A1135 WeakPolarHBondContact O-CB 3.33Å; E1131-A1135 PolarHBondContact O-N 3.46Å; K1132-A1135 PolarHBondContact O-N 3.09Å; A1135-A1138 PolarHBondContact O-N 3.01Å; A1135-L1139 PolarHBondContact O-N 2.5Å
1136	A	85.1	Confident	82.4	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-46.2	172.9	0	0	0	0	0	111.4	V140 A144 K1132 T1133 A1138 L1139 L1140	V140-A1136 HydrophobicContact CG1-CB 3.57Å; V140-A1136 WeakPolarHBondContact O-CB 3.34Å; A144-A1136 HydrophobicContact CB-CB 3.75Å; K1132-A1136 VanDerWaalsContact O-CB 3.29Å; K1132-A1136 WeakPolarHBondContact O-CB 3.46Å; K1132-A1136 PolarHBondContact O-N 3.34Å; T1133-A1136 PolarHBondContact O-N 2.99Å; A1136-A1138 VanDerWaalsContact C-N 3.31Å; A1136-A1138 PolarHBondContact O-N 2.84Å; A1136-L1139 PolarHBondContact O-N 3.34Å; A1136-L1140 VanDerWaalsContact O-CB 3.23Å; A1136-L1140 WeakPolarHBondContact O-CB 3.5Å; A1136-L1140 PolarHBondContact O-N 3.35Å
1137	L	84.7	Confident	82.7	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-41.6	175.1	-72.8	170.6	0	0	0	111	V140 L1087 T1133 V1134 L1140 F1141 L1154 V1169	V140-L1137 HydrophobicContact CG1-CD2 4.4Å; V140-L1137 HydrophobicContact CG1-CG 4.15Å; L1087-L1137 HydrophobicContact CD1-CB 4.49Å; T1133-L1137 HydrophobicContact CG2-CD1 4.3Å; T1133-L1137 WeakPolarHBondContact O-CB 3.32Å; T1133-L1137 VanDerWaalsContact O-CG 3.29Å; T1133-L1137 WeakPolarHBondContact O-CG 3.5Å; T1133-L1137 PolarHBondContact O-N 3.28Å; V1134-L1137 PolarHBondContact O-N 3.09Å; L1137-L1140 PolarHBondContact O-N 3.38Å; L1137-F1141 HydrophobicContact CB-CD2 4.35Å; L1137-F1141 HydrophobicContact CB-CE2 4.1Å; L1137-F1141 HydrophobicContact CD2-CE2 4.41Å; L1137-F1141 WeakPolarHBondContact O-CD2 3.25Å; L1137-F1141 WeakPolarHBondContact O-CG 3.31Å; L1137-F1141 PolarHBondContact O-N 3.49Å; L1137-L1154 HydrophobicContact CD2-CD2 4.49Å; L1137-V1169 HydrophobicContact CD1-CG1 4.04Å
1138	A	88.3	Confident	82.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-46.3	176.7	0	0	0	0	0	112.9	I1083 Y1084 L1087 V1134 A1135 A1136 L1140 F1141 A1142	I1083-A1138 HydrophobicContact CG2-CB 4.17Å; Y1084-A1138 HydrophobicContact CD2-CB 3.72Å; Y1084-A1138 HydrophobicContact CG-CB 4.36Å; L1087-A1138 HydrophobicContact CD1-CB 3.68Å; V1134-A1138 WeakPolarHBondContact O-CB 3.43Å; V1134-A1138 PolarHBondContact O-N 3.47Å; A1135-A1138 PolarHBondContact O-N 3.01Å; A1136-A1138 VanDerWaalsContact C-N 3.31Å; A1136-A1138 PolarHBondContact O-N 2.84Å; A1138-L1140 VanDerWaalsContact C-N 3.29Å; A1138-L1140 PolarHBondContact O-N 3.23Å; A1138-F1141 PolarHBondContact O-N 2.72Å; A1138-A1142 VanDerWaalsContact O-CB 3.29Å; A1138-A1142 WeakPolarHBondContact O-CB 3.35Å; A1138-A1142 PolarHBondContact O-N 2.94Å
1139	L	87.6	Confident	83.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-40.2	175.9	177.4	60.8	0	0	0	111.4	I143 F155 V1076 I1080 L1097 Y1112 A1135 A1136 A1142 I1143	I143-L1139 HydrophobicContact CG2-CD2 4.33Å; F155-L1139 HydrophobicContact CZ-CD1 4.37Å; V1076-L1139 HydrophobicContact CG1-CD1 4.3Å; I1080-L1139 HydrophobicContact CD1-CB 4.04Å; I1080-L1139 HydrophobicContact CD1-CD1 3.61Å; I1080-L1139 HydrophobicContact CD1-CG 4.44Å; L1097-L1139 HydrophobicContact CD1-CD1 4Å; L1097-L1139 HydrophobicContact CD2-CD1 4.44Å; Y1112-L1139 HydrophobicContact CD1-CD2 4.06Å; Y1112-L1139 HydrophobicContact CE1-CB 4.03Å; Y1112-L1139 HydrophobicContact CE1-CD2 4.09Å; A1135-L1139 PolarHBondContact O-N 2.5Å; A1136-L1139 PolarHBondContact O-N 3.34Å; L1139-A1142 PolarHBondContact O-N 3.35Å; L1139-I1143 HydrophobicContact CD1-CD1 4.29Å; L1139-I1143 HydrophobicContact CG-CD1 4.16Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.21Å; L1139-I1143 PolarHBondContact O-N 2.87Å
1140	L	85.1	Confident	83.5	Confident	19 Å²	19	18.1 Å²	18.1	10%	0.099	10%	0.098	C	C	.	.	H	α-helix	trans	-68.1	-41.7	-179.8	176.3	152.1	0	0	0	112.1	V135 I143 A1136 L1137 A1138 I1143 H1144 F1152	V135-L1140 HydrophobicContact CG2-CD1 3.45Å; V135-L1140 VanDerWaalsContact CG2-CD1 3.45Å; I143-L1140 HydrophobicContact CD1-CD1 3.95Å; A1136-L1140 VanDerWaalsContact O-CB 3.23Å; A1136-L1140 WeakPolarHBondContact O-CB 3.5Å; A1136-L1140 PolarHBondContact O-N 3.35Å; L1137-L1140 PolarHBondContact O-N 3.38Å; A1138-L1140 VanDerWaalsContact C-N 3.29Å; A1138-L1140 PolarHBondContact O-N 3.23Å; L1140-I1143 PolarHBondContact O-N 3.09Å; L1140-H1144 PolarHBondContact O-N 2.75Å; L1140-F1152 HydrophobicContact CD1-CZ 3.91Å; L1140-F1152 HydrophobicContact CD2-CE1 3.52Å; L1140-F1152 HydrophobicContact CD2-CE2 3.77Å; L1140-F1152 HydrophobicContact CD2-CZ 3.02Å; L1140-F1152 HydrophobicContact CG-CZ 3.85Å
1141	F	84.9	Confident	84	Confident	6 Å²	6	17.6 Å²	17.6	3%	0.026	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-34.1	173.6	-69.7	-52.1	0	0	0	112	I1083 L1087 L1137 A1138 H1144 S1145 F1152 Y1172 I1173 F1181	I1083-F1141 HydrophobicContact CD1-CB 4.46Å; I1083-F1141 HydrophobicContact CG2-CB 3.95Å; L1087-F1141 HydrophobicContact CD1-CD2 4.09Å; L1087-F1141 HydrophobicContact CD2-CE2 4.25Å; L1137-F1141 HydrophobicContact CB-CD2 4.35Å; L1137-F1141 HydrophobicContact CB-CE2 4.1Å; L1137-F1141 HydrophobicContact CD2-CE2 4.41Å; L1137-F1141 WeakPolarHBondContact O-CD2 3.25Å; L1137-F1141 WeakPolarHBondContact O-CG 3.31Å; L1137-F1141 PolarHBondContact O-N 3.49Å; A1138-F1141 PolarHBondContact O-N 2.72Å; F1141-H1144 PolarHBondContact O-N 3.07Å; F1141-S1145 PolarHBondContact O-N 3.01Å; F1141-F1152 HydrophobicContact CE1-CD1 4.4Å; F1141-F1152 HydrophobicContact CE1-CE1 4.45Å; F1141-Y1172 HydrophobicContact CD2-CD1 4.36Å; F1141-Y1172 AromaticContact CD2-CE1 3.68Å; F1141-Y1172 HydrophobicContact CD2-CE1 3.68Å; F1141-Y1172 HydrophobicContact CE2-CD1 4.1Å; F1141-Y1172 AromaticContact CE2-CE1 3.85Å; F1141-Y1172 HydrophobicContact CE2-CE1 3.85Å; F1141-Y1172 HydrophobicContact CG-CE1 4.08Å; F1141-Y1172 HydrophobicContact CZ-CE1 4.38Å; F1141-I1173 HydrophobicContact CZ-CG1 4.13Å; F1141-F1181 HydrophobicContact CD1-CE1 4.33Å; F1141-F1181 HydrophobicContact CD1-CZ 4.25Å; F1141-F1181 HydrophobicContact CE1-CE1 4.22Å; F1141-F1181 HydrophobicContact CE1-CE2 4.49Å; F1141-F1181 AromaticContact CE1-CZ 3.68Å; F1141-F1181 HydrophobicContact CE1-CZ 3.68Å; F1141-F1181 HydrophobicContact CZ-CZ 4.49Å
1142	A	87.6	Confident	84.3	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.3	-41.2	173.5	0	0	0	0	0	111.5	V1076 I1080 I1083 A1138 L1139 S1145	V1076-A1142 HydrophobicContact CG1-CB 3.76Å; I1080-A1142 HydrophobicContact CB-CB 3.9Å; I1080-A1142 HydrophobicContact CD1-CB 4.5Å; I1080-A1142 HydrophobicContact CG1-CB 4.11Å; I1083-A1142 HydrophobicContact CD1-CB 3.93Å; A1138-A1142 VanDerWaalsContact O-CB 3.29Å; A1138-A1142 WeakPolarHBondContact O-CB 3.35Å; A1138-A1142 PolarHBondContact O-N 2.94Å; L1139-A1142 PolarHBondContact O-N 3.35Å; A1142-S1145 WeakPolarHBondContact O-CB 3.47Å; A1142-S1145 PolarHBondContact O-N 3.49Å; A1142-S1145 PolarHBondContact O-OG 3.21Å
1143	I	84.7	Confident	84.6	Confident	13 Å²	13	14.8 Å²	14.8	7%	0.067	8%	0.079	C	C	.	.	H	α-helix	trans	-61.9	-44.7	171.8	-74.1	166.1	0	0	0	111.3	L154 I158 V1076 L1139 L1140 S1145 Y1146 K1147	L154-I1143 HydrophobicContact CD2-CD1 4.04Å; I158-I1143 HydrophobicContact CD1-CB 4.45Å; I158-I1143 HydrophobicContact CD1-CD1 3.95Å; I158-I1143 HydrophobicContact CD1-CG1 4.12Å; I158-I1143 HydrophobicContact CD1-CG2 3.5Å; I158-I1143 VanDerWaalsContact CD1-CG2 3.5Å; I158-I1143 HydrophobicContact CG1-CG2 4.31Å; I158-I1143 HydrophobicContact CG2-CG2 4.47Å; V1076-I1143 HydrophobicContact CG1-CG1 4.28Å; V1076-I1143 HydrophobicContact CG2-CG1 4.36Å; L1139-I1143 HydrophobicContact CD1-CD1 4.29Å; L1139-I1143 HydrophobicContact CG-CD1 4.16Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.21Å; L1139-I1143 PolarHBondContact O-N 2.87Å; L1140-I1143 PolarHBondContact O-N 3.09Å; I1143-S1145 VanDerWaalsContact C-N 3.26Å; I1143-S1145 PolarHBondContact O-N 3Å; I1143-Y1146 PolarHBondContact O-N 3.25Å; I1143-K1147 PolarHBondContact O-N 3.41Å
1144	H	81.4	Confident	84.9	Confident	11 Å²	11	14.7 Å²	14.7	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-59.9	-36.6	176.8	179.3	-84.5	0	0	0	111.8	L1140 F1141 Y1146 K1147 P1148 A1149 F1181	L1140-H1144 PolarHBondContact O-N 2.75Å; F1141-H1144 PolarHBondContact O-N 3.07Å; H1144-Y1146 PolarHBondContact O-N 3.03Å; H1144-K1147 CarbonylContact O-C 3.56Å; H1144-K1147 PolarHBondContact O-N 3.48Å; H1144-P1148 VanDerWaalsContact O-CA 3.23Å; H1144-P1148 WeakPolarHBondContact O-CA 3.29Å; H1144-A1149 PolarHBondContact CD2-N 3.05Å; H1144-A1149 VanDerWaalsContact CD2-N 3.34Å; H1144-A1149 PolarHBondContact NE2-N 2.97Å; H1144-A1149 PolarHBondContact NE2-O 3.47Å; H1144-F1181 AromaticContact CE1-CD1 3.68Å
1145	S	82.7	Confident	85	Confident	50 Å²	50	14.5 Å²	14.5	35%	0.35	8%	0.077	S	C	.	.	H	α-helix	trans	-59.6	-29.4	177.4	79.8	0	0	0	0	114	N1079 F1141 A1142 I1143	N1079-S1145 PolarHBondContact ND2-OG 2.97Å; F1141-S1145 PolarHBondContact O-N 3.01Å; A1142-S1145 WeakPolarHBondContact O-CB 3.47Å; A1142-S1145 PolarHBondContact O-N 3.49Å; A1142-S1145 PolarHBondContact O-OG 3.21Å; I1143-S1145 VanDerWaalsContact C-N 3.26Å; I1143-S1145 PolarHBondContact O-N 3Å
1146	Y	83.7	Confident	84.9	Confident	63 Å²	63	16.3 Å²	16.3	25%	0.247	9%	0.086	C	C	.	.	H	α-helix	trans	-78.9	-39.8	177.3	177.1	-109.7	0	0	0	112.6	I158 T1071 C1072 I1143 H1144	I158-Y1146 HydrophobicContact CG2-CD1 4.2Å; T1071-Y1146 HydrophobicContact CG2-CE2 4.22Å; C1072-Y1146 HydrophobicContact CB-CD1 4.04Å; C1072-Y1146 HydrophobicContact CB-CE1 3.55Å; C1072-Y1146 HydrophobicContact CB-CE2 4.29Å; C1072-Y1146 WeakPolarHBondContact SG-CD1 3.45Å; C1072-Y1146 VanDerWaalsContact SG-CE1 3.51Å; I1143-Y1146 PolarHBondContact O-N 3.25Å; H1144-Y1146 PolarHBondContact O-N 3.03Å
1147	K	78.7	Confident	84.6	Confident	62 Å²	62	16.5 Å²	16.5	27%	0.27	9%	0.087	S	C	.	.	S	Bend	trans	-133.9	91.4	174.9	-82.3	-171.3	178.7	170.2	0	109.9	L127 N132 I158 I1143 H1144 A1149	L127-K1147 HydrophobicContact CD1-CD 3.85Å; N132-K1147 PolarHBondContact ND2-O 3.42Å; I158-K1147 PolarHBondContact O-NZ 3.4Å; I1143-K1147 PolarHBondContact O-N 3.41Å; H1144-K1147 CarbonylContact O-C 3.56Å; H1144-K1147 PolarHBondContact O-N 3.48Å; K1147-A1149 PolarHBondContact O-N 2.79Å
1148	P	79.8	Confident	84.3	Confident	69 Å²	69	17 Å²	17	45%	0.448	9%	0.089	S	C	.	.			trans	-69.7	121.9	-173.9	26.3	-33	0	0	0	110.2	H1144	H1144-P1148 VanDerWaalsContact O-CA 3.23Å; H1144-P1148 WeakPolarHBondContact O-CA 3.29Å
1149	A	83	Confident	83.6	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.			trans	-79.4	142.6	164.9	0	0	0	0	0	109.6	F133 H1144 K1147 F1151	F133-A1149 HydrophobicContact CB-CB 3.68Å; H1144-A1149 PolarHBondContact CD2-N 3.05Å; H1144-A1149 VanDerWaalsContact CD2-N 3.34Å; H1144-A1149 PolarHBondContact NE2-N 2.97Å; H1144-A1149 PolarHBondContact NE2-O 3.47Å; K1147-A1149 PolarHBondContact O-N 2.79Å; A1149-F1151 VanDerWaalsContact C-N 3.27Å; A1149-F1151 PolarHBondContact O-N 3.43Å
1150	P	82.7	Confident	82.8	Confident	6 Å²	6	22.5 Å²	22.5	4%	0.039	14%	0.135	C	C	.	.	S	Bend	trans	-69.8	-27.3	-172.8	26.8	-34	0	0	0	112.6	Y84 L124 I126 Q1182	Y84-P1150 HydrophobicContact CE2-CB 3.75Å; Y84-P1150 HydrophobicContact CE2-CG 3.81Å; Y84-P1150 WeakPolarHBondContact OH-CB 2.92Å; L124-P1150 WeakPolarHBondContact O-CD 3.44Å; L124-P1150 WeakPolarHBondContact O-CG 3.24Å; I126-P1150 HydrophobicContact CD1-CG 4.24Å; I126-P1150 HydrophobicContact CG1-CG 4.1Å; P1150-Q1182 PolarHBondContact O-N 3.49Å; P1150-Q1182 VanDerWaalsContact O-N 3.08Å
1151	F	87.6	Confident	82.3	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.3	171.7	62.4	-93.9	0	0	0	110.9	L4 L49 M82 Y84 I126 F133 A1149 V1153 Q1182	L4-F1151 HydrophobicContact CB-CD1 4.02Å; L4-F1151 HydrophobicContact CB-CE1 4.4Å; L4-F1151 HydrophobicContact CB-CG 4.28Å; L49-F1151 HydrophobicContact CD1-CE2 3.98Å; L49-F1151 HydrophobicContact CD1-CZ 3.87Å; L49-F1151 HydrophobicContact CD2-CZ 4.35Å; M82-F1151 HydrophobicContact SD-CE1 4.13Å; M82-F1151 HydrophobicContact SD-CZ 3.86Å; Y84-F1151 HydrophobicContact CD2-CE1 4.49Å; Y84-F1151 HydrophobicContact CE2-CD1 4.45Å; I126-F1151 HydrophobicContact CD1-CE1 3.76Å; I126-F1151 HydrophobicContact CD1-CZ 3.99Å; F133-F1151 HydrophobicContact CD2-CE2 4.46Å; A1149-F1151 VanDerWaalsContact C-N 3.27Å; A1149-F1151 PolarHBondContact O-N 3.43Å; F1151-V1153 HydrophobicContact CD2-CG2 3.83Å; F1151-V1153 HydrophobicContact CE2-CG2 4.07Å; F1151-Q1182 CarbonylContact C-O 3.53Å; F1151-Q1182 WeakPolarHBondContact CA-O 3.48Å; F1151-Q1182 HydrophobicContact CB-CB 3.83Å; F1151-Q1182 HydrophobicContact CB-CG 4.34Å
1152	F	87.9	Confident	81.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.5	-173.4	-152.4	-97.4	0	0	0	109.7	N132 V135 L1140 F1141 L1154 F1181 Q1182 I1184	N132-F1152 VanDerWaalsContact O-CE2 3.3Å; N132-F1152 WeakPolarHBondContact O-CE2 3.46Å; V135-F1152 HydrophobicContact CG2-CE1 3.81Å; V135-F1152 HydrophobicContact CG2-CZ 3.74Å; L1140-F1152 HydrophobicContact CD1-CZ 3.91Å; L1140-F1152 HydrophobicContact CD2-CE1 3.52Å; L1140-F1152 HydrophobicContact CD2-CE2 3.77Å; L1140-F1152 HydrophobicContact CD2-CZ 3.02Å; L1140-F1152 HydrophobicContact CG-CZ 3.85Å; F1141-F1152 HydrophobicContact CE1-CD1 4.4Å; F1141-F1152 HydrophobicContact CE1-CE1 4.45Å; F1152-L1154 HydrophobicContact CD1-CD1 4.08Å; F1152-L1154 HydrophobicContact CD1-CD2 3.82Å; F1152-L1154 HydrophobicContact CD1-CG 3.77Å; F1152-L1154 HydrophobicContact CE1-CD1 4.41Å; F1152-L1154 HydrophobicContact CE1-CD2 3.41Å; F1152-L1154 VanDerWaalsContact CE1-CD2 3.41Å; F1152-L1154 HydrophobicContact CE1-CG 3.92Å; F1152-F1181 HydrophobicContact CB-CD2 3.66Å; F1152-F1181 HydrophobicContact CB-CE2 3.86Å; F1152-F1181 HydrophobicContact CG-CE2 4.45Å; F1152-Q1182 PolarHBondContact N-O 3.39Å; F1152-I1184 PolarHBondContact O-N 3.16Å
1153	V	88.2	Confident	81.1	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.6	-175.3	-169.1	0	0	0	0	110.7	M42 I45 F133 L134 V135 F1151 I1184	M42-V1153 HydrophobicContact CE-CG1 4.41Å; M42-V1153 HydrophobicContact SD-CB 4.44Å; M42-V1153 HydrophobicContact SD-CG1 3.61Å; I45-V1153 HydrophobicContact CD1-CG1 4.32Å; I45-V1153 HydrophobicContact CG2-CG2 4.35Å; F133-V1153 PolarHBondContact O-N 3.28Å; L134-V1153 HydrophobicContact CD2-CB 3.94Å; L134-V1153 HydrophobicContact CD2-CG1 4.43Å; L134-V1153 HydrophobicContact CD2-CG2 4.31Å; V135-V1153 PolarHBondContact N-O 2.98Å; F1151-V1153 HydrophobicContact CD2-CG2 3.83Å; F1151-V1153 HydrophobicContact CE2-CG2 4.07Å; V1153-I1184 CarbonylContact C-O 3.45Å; V1153-I1184 WeakPolarHBondContact CA-O 3.28Å; V1153-I1184 HydrophobicContact CG1-CB 4.43Å; V1153-I1184 HydrophobicContact CG1-CG2 4.4Å; V1153-I1184 HydrophobicContact CG2-CB 4.29Å; V1153-I1184 HydrophobicContact CG2-CD1 4.34Å
1154	L	87.6	Confident	80.5	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.7	-173.2	-69	170.7	0	0	0	110.2	V135 L1137 F1152 I1157 I1173 I1184 V1185 I1186	V135-L1154 HydrophobicContact CB-CD2 3.78Å; V135-L1154 HydrophobicContact CG1-CD2 4.23Å; V135-L1154 HydrophobicContact CG2-CD2 3.74Å; L1137-L1154 HydrophobicContact CD2-CD2 4.49Å; F1152-L1154 HydrophobicContact CD1-CD1 4.08Å; F1152-L1154 HydrophobicContact CD1-CD2 3.82Å; F1152-L1154 HydrophobicContact CD1-CG 3.77Å; F1152-L1154 HydrophobicContact CE1-CD1 4.41Å; F1152-L1154 HydrophobicContact CE1-CD2 3.41Å; F1152-L1154 VanDerWaalsContact CE1-CD2 3.41Å; F1152-L1154 HydrophobicContact CE1-CG 3.92Å; L1154-I1157 HydrophobicContact CB-CD1 4.25Å; L1154-I1157 HydrophobicContact CB-CG1 4.39Å; L1154-I1157 HydrophobicContact CB-CG2 4.05Å; L1154-I1157 HydrophobicContact CD1-CD1 3.9Å; L1154-I1157 HydrophobicContact CD2-CG2 3.92Å; L1154-I1157 HydrophobicContact CG-CD1 4.44Å; L1154-I1173 HydrophobicContact CD1-CD1 3.75Å; L1154-I1184 PolarHBondContact N-O 3.19Å; L1154-V1185 HydrophobicContact CB-CG1 4.4Å; L1154-V1185 HydrophobicContact CB-CG2 4.19Å; L1154-V1185 HydrophobicContact CD1-CG2 4.06Å; L1154-V1185 WeakPolarHBondContact O-CA 3.42Å; L1154-I1186 PolarHBondContact O-N 3Å
1155	D	87.1	Confident	80.3	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.5	-179	-166	23.7	0	0	0	111.7	M42 V135 I1157 I1186	M42-D1155 HydrophobicContact CE-CB 4.19Å; M42-D1155 HydrophobicContact CG-CB 4.23Å; M42-D1155 HydrophobicContact SD-CB 4.46Å; V135-D1155 WeakPolarHBondContact O-CB 3.49Å; V135-D1155 PolarHBondContact O-N 3.49Å; V135-D1155 VanDerWaalsContact O-N 3.12Å; D1155-I1157 VanDerWaalsContact C-N 3.25Å; D1155-I1157 PolarHBondContact O-N 3.25Å; D1155-I1157 VanDerWaalsContact O-N 3.13Å; D1155-I1186 HydrophobicContact CB-CD1 4.37Å; D1155-I1186 WeakPolarHBondContact OD1-CD1 3.41Å
1156	E	83.8	Confident	80.3	Confident	38 Å²	38	32.5 Å²	32.5	18%	0.178	19%	0.189	C	C	.	.	S	Bend	trans	49.6	39.6	173.9	-63.1	-172.6	-174.9	0	0	114.5	Q137 D1158 A1159 I1186	Q137-E1156 HydrophobicContact CG-CB 4.25Å; Q137-E1156 PolarHBondContact NE2-OE2 2.95Å; E1156-D1158 VanDerWaalsContact C-OD1 3.29Å; E1156-D1158 WeakPolarHBondContact CA-OD1 3.17Å; E1156-D1158 PolarHBondContact O-N 3.36Å; E1156-A1159 PolarHBondContact O-N 3Å; E1156-I1186 WeakPolarHBondContact CA-O 3.17Å; E1156-I1186 PolarHBondContact N-O 3.38Å
1157	I	80.1	Confident	80.1	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-66	-15.4	177.6	59.3	160.5	0	0	0	113.7	V135 V140 L1154 D1155 A1159 L1161 I1173 F1192	V135-I1157 HydrophobicContact CG1-CG2 4.35Å; V140-I1157 HydrophobicContact CG2-CG2 3.87Å; L1154-I1157 HydrophobicContact CB-CD1 4.25Å; L1154-I1157 HydrophobicContact CB-CG1 4.39Å; L1154-I1157 HydrophobicContact CB-CG2 4.05Å; L1154-I1157 HydrophobicContact CD1-CD1 3.9Å; L1154-I1157 HydrophobicContact CD2-CG2 3.92Å; L1154-I1157 HydrophobicContact CG-CD1 4.44Å; D1155-I1157 VanDerWaalsContact C-N 3.25Å; D1155-I1157 PolarHBondContact O-N 3.25Å; D1155-I1157 VanDerWaalsContact O-N 3.13Å; I1157-A1159 VanDerWaalsContact C-N 3.35Å; I1157-L1161 WeakPolarHBondContact O-CD1 3.47Å; I1157-L1161 WeakPolarHBondContact O-CG 3.22Å; I1157-I1173 HydrophobicContact CD1-CD1 4.3Å; I1157-F1192 HydrophobicContact CD1-CE1 3.91Å; I1157-F1192 HydrophobicContact CD1-CZ 3.63Å; I1157-F1192 HydrophobicContact CG1-CZ 4.06Å
1158	D	77.8	Confident	80.3	Confident	10 Å²	10	30.5 Å²	30.5	5%	0.053	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-79.5	-13.9	-179.9	59	-19.6	0	0	0	113.5	E1156 A1160 L1161 I1166 S1187 L1188 K1189 F1192	E1156-D1158 VanDerWaalsContact C-OD1 3.29Å; E1156-D1158 WeakPolarHBondContact CA-OD1 3.17Å; E1156-D1158 PolarHBondContact O-N 3.36Å; D1158-A1160 VanDerWaalsContact C-N 3.31Å; D1158-A1160 PolarHBondContact O-N 3.25Å; D1158-L1161 PolarHBondContact O-N 3.4Å; D1158-I1166 HydrophobicContact CB-CD1 4.42Å; D1158-S1187 WeakPolarHBondContact OD2-CB 3.33Å; D1158-S1187 PolarHBondContact OD2-OG 3.46Å; D1158-L1188 PolarHBondContact OD2-N 2.89Å; D1158-L1188 VanDerWaalsContact OD2-N 3.11Å; D1158-K1189 HydrophobicContact CB-CB 4.39Å; D1158-K1189 HydrophobicContact CB-CG 3.84Å; D1158-K1189 WeakPolarHBondContact OD2-CG 3.25Å; D1158-K1189 PolarHBondContact OD2-N 3.16Å; D1158-F1192 HydrophobicContact CB-CD2 3.97Å; D1158-F1192 HydrophobicContact CB-CE2 3.86Å
1159	A	74.8	Confident	80.6	Confident	78 Å²	78	27.2 Å²	27.2	65%	0.645	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-65.1	-31.6	-178.8	0	0	0	0	0	113.7	E1156 I1157	E1156-A1159 PolarHBondContact O-N 3Å; I1157-A1159 VanDerWaalsContact C-N 3.35Å
1160	A	68.9	Low	80.6	Confident	39 Å²	39	27.2 Å²	27.2	32%	0.322	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-105.2	2.2	-177.4	0	0	0	0	0	113.6	G1130 D1158	G1130-A1160 WeakPolarHBondContact CA-O 3.38Å; D1158-A1160 VanDerWaalsContact C-N 3.31Å; D1158-A1160 PolarHBondContact O-N 3.25Å
1161	L	76.3	Confident	80.7	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.063	18%	0.175	C	C	.	.	S	Bend	trans	-101.8	141.7	-179.5	-67.4	171.6	0	0	0	111	T1133 V1134 I1157 D1158 I1166 V1169	T1133-L1161 HydrophobicContact CG2-CD1 4.43Å; T1133-L1161 HydrophobicContact CG2-CD2 3.72Å; T1133-L1161 HydrophobicContact CG2-CG 3.9Å; V1134-L1161 HydrophobicContact CG2-CD2 3.93Å; I1157-L1161 WeakPolarHBondContact O-CD1 3.47Å; I1157-L1161 WeakPolarHBondContact O-CG 3.22Å; D1158-L1161 PolarHBondContact O-N 3.4Å; L1161-I1166 HydrophobicContact CB-CD1 4.18Å; L1161-I1166 HydrophobicContact CB-CG1 3.48Å; L1161-I1166 VanDerWaalsContact CB-CG1 3.48Å; L1161-I1166 HydrophobicContact CD1-CG1 4.39Å; L1161-V1169 HydrophobicContact CD1-CG2 4.36Å
1162	D	75.6	Confident	80.6	Confident	75 Å²	75	29.8 Å²	29.8	40%	0.401	18%	0.179	S	C	.	.			trans	-78.4	149.5	170	52.5	-21.3	0	0	0	111.2	T1164 N1165 I1166	D1162-T1164 VanDerWaalsContact CG-OG1 3.3Å; D1162-T1164 PolarHBondContact O-N 3.18Å; D1162-T1164 PolarHBondContact OD2-OG1 2.93Å; D1162-N1165 VanDerWaalsContact CG-ND2 3.34Å; D1162-N1165 PolarHBondContact O-N 3.4Å; D1162-N1165 WeakPolarHBondContact OD1-CB 3.24Å; D1162-N1165 VanDerWaalsContact OD1-CG 3.29Å; D1162-N1165 PolarHBondContact OD1-ND2 3.47Å; D1162-N1165 PolarHBondContact OD2-ND2 2.89Å; D1162-I1166 WeakPolarHBondContact O-CG1 3.39Å; D1162-I1166 PolarHBondContact O-N 2.96Å
1163	N	71.5	Confident	80.6	Confident	96 Å²	96	29.8 Å²	29.8	51%	0.513	18%	0.179	S	C	.	.	H	α-helix	trans	-53.6	-28.8	-176.6	-67.6	-0.2	0	0	0	113.3
1164	T	72.6	Confident	80.4	Confident	96 Å²	96	32.4 Å²	32.4	59%	0.589	19%	0.19	S	C	*	.	H	α-helix	trans	-72.7	-34.8	177.5	50.6	0	0	0	0	113.8	D1162	D1162-T1164 VanDerWaalsContact CG-OG1 3.3Å; D1162-T1164 PolarHBondContact O-N 3.18Å; D1162-T1164 PolarHBondContact OD2-OG1 2.93Å
1165	N	76.5	Confident	80.3	Confident	30 Å²	30	36.9 Å²	36.9	16%	0.16	21%	0.214	C	C	.	.	H	α-helix	trans	-91.8	-25.1	177.3	-65	-44.3	0	0	0	112.3	D1162 G1167 K1168 V1169	D1162-N1165 VanDerWaalsContact CG-ND2 3.34Å; D1162-N1165 PolarHBondContact O-N 3.4Å; D1162-N1165 WeakPolarHBondContact OD1-CB 3.24Å; D1162-N1165 VanDerWaalsContact OD1-CG 3.29Å; D1162-N1165 PolarHBondContact OD1-ND2 3.47Å; D1162-N1165 PolarHBondContact OD2-ND2 2.89Å; N1165-G1167 VanDerWaalsContact C-N 3.32Å; N1165-G1167 PolarHBondContact O-N 3.44Å; N1165-K1168 WeakPolarHBondContact O-CB 3.17Å; N1165-K1168 PolarHBondContact O-N 2.68Å; N1165-K1168 VanDerWaalsContact O-N 3.08Å; N1165-K1168 PolarHBondContact OD1-NZ 3.06Å; N1165-V1169 WeakPolarHBondContact O-CG2 3.41Å; N1165-V1169 PolarHBondContact O-N 3.3Å
1166	I	82.1	Confident	80.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-51.3	-51.5	173.1	-75.1	174.1	0	0	0	110.8	D1158 L1161 D1162 K1168 V1169 A1170 K1189 E1191 F1192	D1158-I1166 HydrophobicContact CB-CD1 4.42Å; L1161-I1166 HydrophobicContact CB-CD1 4.18Å; L1161-I1166 HydrophobicContact CB-CG1 3.48Å; L1161-I1166 VanDerWaalsContact CB-CG1 3.48Å; L1161-I1166 HydrophobicContact CD1-CG1 4.39Å; D1162-I1166 WeakPolarHBondContact O-CG1 3.39Å; D1162-I1166 PolarHBondContact O-N 2.96Å; I1166-K1168 VanDerWaalsContact C-N 3.28Å; I1166-K1168 PolarHBondContact O-N 2.73Å; I1166-V1169 PolarHBondContact O-N 2.98Å; I1166-A1170 WeakPolarHBondContact O-CB 3.28Å; I1166-A1170 PolarHBondContact O-N 3.48Å; I1166-K1189 HydrophobicContact CD1-CD 4.37Å; I1166-K1189 HydrophobicContact CD1-CG 4.15Å; I1166-E1191 HydrophobicContact CG2-CB 3.67Å; I1166-E1191 HydrophobicContact CG2-CG 4.48Å; I1166-F1192 HydrophobicContact CB-CE2 4.37Å; I1166-F1192 HydrophobicContact CG1-CE2 4.35Å; I1166-F1192 HydrophobicContact CG2-CD2 3.58Å; I1166-F1192 HydrophobicContact CG2-CE2 3.65Å
1167	G	80.3	Confident	79.9	Confident	23 Å²	23	37 Å²	37	24%	0.237	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-32.5	179.8	0	0	0	0	0	113.7	N1165 N1171	N1165-G1167 VanDerWaalsContact C-N 3.32Å; N1165-G1167 PolarHBondContact O-N 3.44Å; G1167-N1171 WeakPolarHBondContact O-CB 3.48Å; G1167-N1171 VanDerWaalsContact O-CG 3.22Å; G1167-N1171 PolarHBondContact O-N 3.31Å; G1167-N1171 VanDerWaalsContact O-N 3.12Å; G1167-N1171 PolarHBondContact O-ND2 2.95Å
1168	K	82.8	Confident	79.8	Confident	59 Å²	59	40.5 Å²	40.5	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-70.2	-45.3	177.6	-59.1	179.3	-176.2	172.8	0	111.6	S1088 R1089 N1165 I1166 N1171 Y1172	S1088-K1168 PolarHBondContact O-NZ 2.85Å; R1089-K1168 HydrophobicContact CB-CD 4.17Å; R1089-K1168 HydrophobicContact CG-CB 4.37Å; R1089-K1168 HydrophobicContact CG-CD 4.3Å; R1089-K1168 HydrophobicContact CG-CG 4.27Å; N1165-K1168 WeakPolarHBondContact O-CB 3.17Å; N1165-K1168 PolarHBondContact O-N 2.68Å; N1165-K1168 VanDerWaalsContact O-N 3.08Å; N1165-K1168 PolarHBondContact OD1-NZ 3.06Å; I1166-K1168 VanDerWaalsContact C-N 3.28Å; I1166-K1168 PolarHBondContact O-N 2.73Å; K1168-N1171 PolarHBondContact O-N 2.81Å; K1168-Y1172 PolarHBondContact O-N 3.34Å
1169	V	85	Confident	79.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-43.6	177.9	175.4	0	0	0	0	110.7	L1087 L1137 L1161 N1165 I1166 N1171 Y1172 I1173 F1192	L1087-V1169 HydrophobicContact CD2-CG2 4.35Å; L1137-V1169 HydrophobicContact CD1-CG1 4.04Å; L1161-V1169 HydrophobicContact CD1-CG2 4.36Å; N1165-V1169 WeakPolarHBondContact O-CG2 3.41Å; N1165-V1169 PolarHBondContact O-N 3.3Å; I1166-V1169 PolarHBondContact O-N 2.98Å; V1169-N1171 PolarHBondContact O-N 3.12Å; V1169-Y1172 PolarHBondContact O-N 2.68Å; V1169-I1173 HydrophobicContact CG1-CD1 3.84Å; V1169-I1173 WeakPolarHBondContact O-CG1 3.45Å; V1169-I1173 PolarHBondContact O-N 2.86Å; V1169-F1192 HydrophobicContact CB-CZ 4.45Å; V1169-F1192 HydrophobicContact CG1-CE1 4.47Å; V1169-F1192 HydrophobicContact CG1-CZ 4.04Å
1170	A	83.9	Confident	79.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-42.5	177.4	0	0	0	0	0	112.2	I1166 I1173 K1174 F1192	I1166-A1170 WeakPolarHBondContact O-CB 3.28Å; I1166-A1170 PolarHBondContact O-N 3.48Å; A1170-I1173 PolarHBondContact O-N 3.09Å; A1170-K1174 PolarHBondContact O-N 3.39Å; A1170-F1192 HydrophobicContact CB-CD1 3.94Å; A1170-F1192 HydrophobicContact CB-CE1 4.09Å; A1170-F1192 HydrophobicContact CB-CG 4.31Å
1171	N	84.3	Confident	80.4	Confident	38 Å²	38	45 Å²	45	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-42.6	175.4	-72.5	-37.6	0	0	0	112.2	R1089 G1167 K1168 V1169 I1173 K1174 D1175	R1089-N1171 PolarHBondContact NH2-ND2 3.45Å; G1167-N1171 WeakPolarHBondContact O-CB 3.48Å; G1167-N1171 VanDerWaalsContact O-CG 3.22Å; G1167-N1171 PolarHBondContact O-N 3.31Å; G1167-N1171 VanDerWaalsContact O-N 3.12Å; G1167-N1171 PolarHBondContact O-ND2 2.95Å; K1168-N1171 PolarHBondContact O-N 2.81Å; V1169-N1171 PolarHBondContact O-N 3.12Å; N1171-I1173 VanDerWaalsContact C-N 3.32Å; N1171-I1173 PolarHBondContact O-N 2.85Å; N1171-K1174 PolarHBondContact O-N 2.86Å; N1171-D1175 VanDerWaalsContact O-CG 3.31Å; N1171-D1175 PolarHBondContact O-N 3.16Å
1172	Y	86.6	Confident	81	Confident	23 Å²	23	44.8 Å²	44.8	9%	0.09	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-44.5	175.3	178.6	-93.9	0	0	0	111.5	A1086 L1087 F1141 K1168 V1169 K1174 D1175 Q1176	A1086-Y1172 HydrophobicContact CB-CD2 3.94Å; A1086-Y1172 HydrophobicContact CB-CE2 3.82Å; L1087-Y1172 HydrophobicContact CD2-CD1 3.41Å; L1087-Y1172 VanDerWaalsContact CD2-CD1 3.41Å; L1087-Y1172 HydrophobicContact CD2-CD2 4.32Å; L1087-Y1172 HydrophobicContact CD2-CE1 3.97Å; L1087-Y1172 HydrophobicContact CD2-CG 3.6Å; L1087-Y1172 HydrophobicContact CG-CD1 4.12Å; L1087-Y1172 HydrophobicContact CG-CD2 4.41Å; L1087-Y1172 HydrophobicContact CG-CE1 4.29Å; L1087-Y1172 HydrophobicContact CG-CG 4.17Å; F1141-Y1172 HydrophobicContact CD2-CD1 4.36Å; F1141-Y1172 AromaticContact CD2-CE1 3.68Å; F1141-Y1172 HydrophobicContact CD2-CE1 3.68Å; F1141-Y1172 HydrophobicContact CE2-CD1 4.1Å; F1141-Y1172 AromaticContact CE2-CE1 3.85Å; F1141-Y1172 HydrophobicContact CE2-CE1 3.85Å; F1141-Y1172 HydrophobicContact CG-CE1 4.08Å; F1141-Y1172 HydrophobicContact CZ-CE1 4.38Å; K1168-Y1172 PolarHBondContact O-N 3.34Å; V1169-Y1172 PolarHBondContact O-N 2.68Å; Y1172-K1174 VanDerWaalsContact C-N 3.33Å; Y1172-K1174 PolarHBondContact O-N 2.67Å; Y1172-D1175 PolarHBondContact O-N 3.24Å; Y1172-Q1176 HydrophobicContact CD1-CG 3.94Å; Y1172-Q1176 HydrophobicContact CD2-CG 4.33Å; Y1172-Q1176 HydrophobicContact CE1-CG 3.54Å; Y1172-Q1176 HydrophobicContact CE2-CG 3.95Å; Y1172-Q1176 HydrophobicContact CG-CG 4.33Å; Y1172-Q1176 WeakPolarHBondContact O-CB 3.46Å; Y1172-Q1176 VanDerWaalsContact O-CG 3.24Å; Y1172-Q1176 WeakPolarHBondContact O-CG 3.5Å; Y1172-Q1176 PolarHBondContact O-N 3.42Å
1173	I	86.6	Confident	81.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-40	176.8	-70.6	166.7	0	0	0	111.1	F27 F1141 L1154 I1157 V1169 A1170 N1171 Q1176 S1177 A1183 F1192	F27-I1173 HydrophobicContact CD2-CG2 4.45Å; F27-I1173 HydrophobicContact CE1-CG2 4.47Å; F27-I1173 HydrophobicContact CE2-CG2 4.27Å; F27-I1173 HydrophobicContact CZ-CG2 4.29Å; F1141-I1173 HydrophobicContact CZ-CG1 4.13Å; L1154-I1173 HydrophobicContact CD1-CD1 3.75Å; I1157-I1173 HydrophobicContact CD1-CD1 4.3Å; V1169-I1173 HydrophobicContact CG1-CD1 3.84Å; V1169-I1173 WeakPolarHBondContact O-CG1 3.45Å; V1169-I1173 PolarHBondContact O-N 2.86Å; A1170-I1173 PolarHBondContact O-N 3.09Å; N1171-I1173 VanDerWaalsContact C-N 3.32Å; N1171-I1173 PolarHBondContact O-N 2.85Å; I1173-Q1176 PolarHBondContact O-N 3.29Å; I1173-S1177 WeakPolarHBondContact O-CB 3.41Å; I1173-S1177 PolarHBondContact O-N 2.86Å; I1173-S1177 PolarHBondContact O-OG 2.74Å; I1173-A1183 HydrophobicContact CG2-CB 3.53Å; I1173-F1192 HydrophobicContact CD1-CE1 4.01Å
1174	K	85.4	Confident	82.6	Confident	55 Å²	55	36.7 Å²	36.7	24%	0.239	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-44.9	175.2	-173.9	178.3	-177.1	172.4	0	112	F27 A1170 N1171 Y1172 S1177 V1178 K1195 D1224	F27-K1174 HydrophobicContact CD1-CB 4.25Å; F27-K1174 HydrophobicContact CE1-CB 4.45Å; A1170-K1174 PolarHBondContact O-N 3.39Å; N1171-K1174 PolarHBondContact O-N 2.86Å; Y1172-K1174 VanDerWaalsContact C-N 3.33Å; Y1172-K1174 PolarHBondContact O-N 2.67Å; K1174-S1177 PolarHBondContact O-N 2.98Å; K1174-S1177 PolarHBondContact O-OG 3.31Å; K1174-V1178 WeakPolarHBondContact O-CG2 3.43Å; K1174-V1178 PolarHBondContact O-N 3.02Å; K1174-K1195 HydrophobicContact CD-CB 4.2Å; K1174-K1195 HydrophobicContact CD-CD 4.36Å; K1174-D1224 IonicContact NZ-OD2 3.76Å
1175	D	84.4	Confident	83.5	Confident	94 Å²	94	32.1 Å²	32.1	50%	0.503	17%	0.167	S	C	.	.	H	α-helix	trans	-65.8	-43	179.4	-65.4	-23.6	0	0	0	111.1	N1171 Y1172	N1171-D1175 VanDerWaalsContact O-CG 3.31Å; N1171-D1175 PolarHBondContact O-N 3.16Å; Y1172-D1175 PolarHBondContact O-N 3.24Å
1176	Q	83.1	Confident	84.1	Confident	39 Å²	39	30.8 Å²	30.8	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-70	-32.6	177	-66.7	-58.5	-50.6	0	0	112.7	Y1172 I1173 V1178 Q1179 N1180 F1181	Y1172-Q1176 HydrophobicContact CD1-CG 3.94Å; Y1172-Q1176 HydrophobicContact CD2-CG 4.33Å; Y1172-Q1176 HydrophobicContact CE1-CG 3.54Å; Y1172-Q1176 HydrophobicContact CE2-CG 3.95Å; Y1172-Q1176 HydrophobicContact CG-CG 4.33Å; Y1172-Q1176 WeakPolarHBondContact O-CB 3.46Å; Y1172-Q1176 VanDerWaalsContact O-CG 3.24Å; Y1172-Q1176 WeakPolarHBondContact O-CG 3.5Å; Y1172-Q1176 PolarHBondContact O-N 3.42Å; I1173-Q1176 PolarHBondContact O-N 3.29Å; Q1176-V1178 VanDerWaalsContact C-N 3.25Å; Q1176-V1178 PolarHBondContact O-N 3.03Å; Q1176-Q1179 PolarHBondContact O-N 3.3Å; Q1176-N1180 PolarHBondContact O-N 3.49Å; Q1176-N1180 PolarHBondContact OE1-ND2 3.01Å; Q1176-F1181 HydrophobicContact CB-CD1 4.32Å; Q1176-F1181 HydrophobicContact CB-CE1 3.52Å; Q1176-F1181 HydrophobicContact CB-CZ 3.86Å; Q1176-F1181 HydrophobicContact CG-CE1 4.29Å; Q1176-F1181 PolarHBondContact O-N 3.49Å
1177	S	80.7	Confident	84.4	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-26.3	-178.1	69.6	0	0	0	0	112.9	I1173 K1174 F1181	I1173-S1177 WeakPolarHBondContact O-CB 3.41Å; I1173-S1177 PolarHBondContact O-N 2.86Å; I1173-S1177 PolarHBondContact O-OG 2.74Å; K1174-S1177 PolarHBondContact O-N 2.98Å; K1174-S1177 PolarHBondContact O-OG 3.31Å; S1177-F1181 CarbonylContact C-O 3.55Å; S1177-F1181 WeakPolarHBondContact CA-O 3.48Å
1178	V	77.6	Confident	84.5	Confident	79 Å²	79	33.5 Å²	33.5	48%	0.479	17%	0.168	S	C	.	.	H	α-helix	trans	-71	-36	175.5	173.1	0	0	0	0	111.4	K26 K1174 Q1176	K26-V1178 PolarHBondContact NZ-O 3.34Å; K1174-V1178 WeakPolarHBondContact O-CG2 3.43Å; K1174-V1178 PolarHBondContact O-N 3.02Å; Q1176-V1178 VanDerWaalsContact C-N 3.25Å; Q1176-V1178 PolarHBondContact O-N 3.03Å
1179	Q	71.9	Confident	84.6	Confident	142 Å²	142	34.4 Å²	34.4	66%	0.664	17%	0.172	S	C	*	.	H	α-helix	trans	-105.6	-38.7	-167	-62.5	-175.3	-3.9	0	0	114.3	Q1176	Q1176-Q1179 PolarHBondContact O-N 3.3Å
1180	N	76	Confident	84.6	Confident	72 Å²	72	40.4 Å²	40.4	39%	0.385	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-24	-157.4	-67.4	-28.5	0	0	0	116.5	M1 Q1176	M1-N1180 WeakPolarHBondContact CE-O 3.45Å; Q1176-N1180 PolarHBondContact O-N 3.49Å; Q1176-N1180 PolarHBondContact OE1-ND2 3.01Å
1181	F	85.3	Confident	84.6	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.035	22%	0.216	C	C	.	.			trans	-163.2	163.4	175.9	59.2	-93.4	0	0	0	113	F1141 H1144 F1152 Q1176 S1177 A1183	F1141-F1181 HydrophobicContact CD1-CE1 4.33Å; F1141-F1181 HydrophobicContact CD1-CZ 4.25Å; F1141-F1181 HydrophobicContact CE1-CE1 4.22Å; F1141-F1181 HydrophobicContact CE1-CE2 4.49Å; F1141-F1181 AromaticContact CE1-CZ 3.68Å; F1141-F1181 HydrophobicContact CE1-CZ 3.68Å; F1141-F1181 HydrophobicContact CZ-CZ 4.49Å; H1144-F1181 AromaticContact CE1-CD1 3.68Å; F1152-F1181 HydrophobicContact CB-CD2 3.66Å; F1152-F1181 HydrophobicContact CB-CE2 3.86Å; F1152-F1181 HydrophobicContact CG-CE2 4.45Å; Q1176-F1181 HydrophobicContact CB-CD1 4.32Å; Q1176-F1181 HydrophobicContact CB-CE1 3.52Å; Q1176-F1181 HydrophobicContact CB-CZ 3.86Å; Q1176-F1181 HydrophobicContact CG-CE1 4.29Å; Q1176-F1181 PolarHBondContact O-N 3.49Å; S1177-F1181 CarbonylContact C-O 3.55Å; S1177-F1181 WeakPolarHBondContact CA-O 3.48Å; F1181-A1183 HydrophobicContact CD2-CB 4.32Å; F1181-A1183 HydrophobicContact CE2-CB 3.91Å
1182	Q	89.8	Confident	84.5	Confident	8 Å²	8	42 Å²	42	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127	169.2	-176.9	-175.8	34.1	0	0	111.1	L4 H25 K26 P1150 F1151 F1152	L4-Q1182 VanDerWaalsContact CB-OE1 3.32Å; L4-Q1182 PolarHBondContact O-NE2 3.46Å; H25-Q1182 VanDerWaalsContact O-CG 3.26Å; H25-Q1182 WeakPolarHBondContact O-CG 3.34Å; H25-Q1182 PolarHBondContact O-NE2 2.83Å; K26-Q1182 CarbonylContact O-C 3.52Å; K26-Q1182 WeakPolarHBondContact O-CA 3.23Å; P1150-Q1182 PolarHBondContact O-N 3.49Å; P1150-Q1182 VanDerWaalsContact O-N 3.08Å; F1151-Q1182 CarbonylContact C-O 3.53Å; F1151-Q1182 WeakPolarHBondContact CA-O 3.48Å; F1151-Q1182 HydrophobicContact CB-CB 3.83Å; F1151-Q1182 HydrophobicContact CB-CG 4.34Å; F1152-Q1182 PolarHBondContact N-O 3.39Å
1183	A	89.9	Confident	84.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.7	178.4	0	0	0	0	0	111.8	K26 F27 T28 I1173 F1181	K26-A1183 PolarHBondContact O-N 3.49Å; F27-A1183 CarbonylContact C-O 3.52Å; F27-A1183 WeakPolarHBondContact CA-O 3.38Å; F27-A1183 HydrophobicContact CD2-CB 3.98Å; T28-A1183 PolarHBondContact N-O 3.17Å; I1173-A1183 HydrophobicContact CG2-CB 3.53Å; F1181-A1183 HydrophobicContact CD2-CB 4.32Å; F1181-A1183 HydrophobicContact CE2-CB 3.91Å
1184	I	91.2	Very high	84.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.5	174.7	-56.5	172.2	0	0	0	107.8	L4 F24 T28 I30 F1152 V1153 L1154	L4-I1184 HydrophobicContact CD2-CD1 3.71Å; F24-I1184 HydrophobicContact CD1-CD1 3.71Å; F24-I1184 HydrophobicContact CD1-CG1 4.01Å; F24-I1184 HydrophobicContact CD1-CG2 4.26Å; F24-I1184 HydrophobicContact CE1-CD1 4Å; F24-I1184 HydrophobicContact CE1-CG1 4.46Å; F24-I1184 HydrophobicContact CE1-CG2 3.99Å; F24-I1184 HydrophobicContact CG-CD1 4.28Å; T28-I1184 WeakPolarHBondContact O-CA 3.29Å; I30-I1184 HydrophobicContact CD1-CG2 3.61Å; I30-I1184 HydrophobicContact CG1-CG2 4.43Å; F1152-I1184 PolarHBondContact O-N 3.16Å; V1153-I1184 CarbonylContact C-O 3.45Å; V1153-I1184 WeakPolarHBondContact CA-O 3.28Å; V1153-I1184 HydrophobicContact CG1-CB 4.43Å; V1153-I1184 HydrophobicContact CG1-CG2 4.4Å; V1153-I1184 HydrophobicContact CG2-CB 4.29Å; V1153-I1184 HydrophobicContact CG2-CD1 4.34Å; L1154-I1184 PolarHBondContact N-O 3.19Å
1185	V	90.3	Very high	84.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.1	-171.9	-176.1	0	0	0	0	110.3	F27 T28 A29 I30 L1154 F1192	F27-V1185 HydrophobicContact CD2-CG2 4.36Å; F27-V1185 HydrophobicContact CE2-CB 4.03Å; F27-V1185 HydrophobicContact CE2-CG2 3.55Å; F27-V1185 HydrophobicContact CZ-CG2 4.35Å; T28-V1185 PolarHBondContact O-N 3.2Å; A29-V1185 CarbonylContact C-O 3.52Å; A29-V1185 VanDerWaalsContact CA-O 3.3Å; A29-V1185 WeakPolarHBondContact CA-O 3.48Å; I30-V1185 PolarHBondContact N-O 3.41Å; L1154-V1185 HydrophobicContact CB-CG1 4.4Å; L1154-V1185 HydrophobicContact CB-CG2 4.19Å; L1154-V1185 HydrophobicContact CD1-CG2 4.06Å; L1154-V1185 WeakPolarHBondContact O-CA 3.42Å; V1185-F1192 HydrophobicContact CG1-CD1 4.02Å; V1185-F1192 HydrophobicContact CG1-CE1 4.33Å
1186	I	89.9	Confident	84.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.2	169	-55.7	166.6	0	0	0	106.8	I30 K38 M42 L1154 D1155 E1156	I30-I1186 HydrophobicContact CB-CG1 3.94Å; I30-I1186 HydrophobicContact CD1-CD1 4.37Å; I30-I1186 HydrophobicContact CD1-CG1 3.72Å; I30-I1186 HydrophobicContact CG1-CG1 4.42Å; I30-I1186 HydrophobicContact CG2-CG1 4.32Å; K38-I1186 HydrophobicContact CB-CG2 4.14Å; K38-I1186 HydrophobicContact CD-CG2 4.42Å; M42-I1186 HydrophobicContact CB-CD1 3.9Å; L1154-I1186 PolarHBondContact O-N 3Å; D1155-I1186 HydrophobicContact CB-CD1 4.37Å; D1155-I1186 WeakPolarHBondContact OD1-CD1 3.41Å; E1156-I1186 WeakPolarHBondContact CA-O 3.17Å; E1156-I1186 PolarHBondContact N-O 3.38Å
1187	S	87	Confident	84.8	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.215	C	C	.	.			trans	-148.8	152.9	-176.2	172.1	0	0	0	0	111.1	I30 D1158 K1189 F1192	I30-S1187 PolarHBondContact O-N 3.44Å; D1158-S1187 WeakPolarHBondContact OD2-CB 3.33Å; D1158-S1187 PolarHBondContact OD2-OG 3.46Å; S1187-K1189 PolarHBondContact OG-N 3.04Å; S1187-K1189 VanDerWaalsContact OG-N 3.11Å; S1187-F1192 WeakPolarHBondContact OG-CB 3.34Å
1188	L	83.5	Confident	85.3	Confident	79 Å²	79	43.3 Å²	43.3	41%	0.414	22%	0.215	S	C	.	.			trans	-106.7	-3.3	174	-63.4	174.4	0	0	0	112.5	G32 N34 D1158	G32-L1188 VanDerWaalsContact O-CD2 3.29Å; G32-L1188 WeakPolarHBondContact O-CD2 3.35Å; N34-L1188 WeakPolarHBondContact OD1-CD1 3.41Å; D1158-L1188 PolarHBondContact OD2-N 2.89Å; D1158-L1188 VanDerWaalsContact OD2-N 3.11Å
1189	K	85.1	Confident	85.9	Confident	79 Å²	79	40.7 Å²	40.7	34%	0.343	20%	0.198	S	C	.	.			trans	-94.2	132.6	-174.5	-66	-72.7	-172.5	164.2	0	111.5	D1158 I1166 S1187 E1191 F1192 Y1193	D1158-K1189 HydrophobicContact CB-CB 4.39Å; D1158-K1189 HydrophobicContact CB-CG 3.84Å; D1158-K1189 WeakPolarHBondContact OD2-CG 3.25Å; D1158-K1189 PolarHBondContact OD2-N 3.16Å; I1166-K1189 HydrophobicContact CD1-CD 4.37Å; I1166-K1189 HydrophobicContact CD1-CG 4.15Å; S1187-K1189 PolarHBondContact OG-N 3.04Å; S1187-K1189 VanDerWaalsContact OG-N 3.11Å; K1189-E1191 VanDerWaalsContact C-N 3.27Å; K1189-E1191 PolarHBondContact O-N 3.06Å; K1189-F1192 PolarHBondContact O-N 3.35Å; K1189-Y1193 WeakPolarHBondContact O-CD1 3.48Å; K1189-Y1193 VanDerWaalsContact O-CE1 3.28Å; K1189-Y1193 WeakPolarHBondContact O-CE1 2.97Å
1190	E	84.4	Confident	86.9	Confident	125 Å²	125	34 Å²	34	58%	0.584	17%	0.167	S	C	*	.	H	α-helix	trans	-59.7	-38.1	-176.6	-171.5	175.2	176.3	0	0	112.8	F1192 Y1193 T1194	E1190-F1192 PolarHBondContact O-N 3.37Å; E1190-F1192 VanDerWaalsContact O-N 3.15Å; E1190-Y1193 HydrophobicContact CB-CE1 4.28Å; E1190-Y1193 HydrophobicContact CB-CE2 4.36Å; E1190-Y1193 HydrophobicContact CG-CE2 4.07Å; E1190-Y1193 PolarHBondContact O-N 3.37Å; E1190-T1194 HydrophobicContact CG-CG2 3.72Å; E1190-T1194 WeakPolarHBondContact O-CB 3.2Å; E1190-T1194 WeakPolarHBondContact O-CG2 3.06Å; E1190-T1194 PolarHBondContact O-N 3.18Å; E1190-T1194 PolarHBondContact O-OG1 3.33Å
1191	E	83.4	Confident	87.7	Confident	70 Å²	70	31.5 Å²	31.5	33%	0.327	16%	0.158	S	C	.	.	H	α-helix	trans	-63.7	-22.2	-179	-59.5	88.6	164.1	0	0	113.6	I1166 K1189	I1166-E1191 HydrophobicContact CG2-CB 3.67Å; I1166-E1191 HydrophobicContact CG2-CG 4.48Å; K1189-E1191 VanDerWaalsContact C-N 3.27Å; K1189-E1191 PolarHBondContact O-N 3.06Å
1192	F	83.3	Confident	88	Confident	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-85.5	-52.4	176	-98.3	-76.3	0	0	0	112.2	I1157 D1158 I1166 V1169 A1170 I1173 V1185 S1187 K1189 E1190 K1195	I1157-F1192 HydrophobicContact CD1-CE1 3.91Å; I1157-F1192 HydrophobicContact CD1-CZ 3.63Å; I1157-F1192 HydrophobicContact CG1-CZ 4.06Å; D1158-F1192 HydrophobicContact CB-CD2 3.97Å; D1158-F1192 HydrophobicContact CB-CE2 3.86Å; I1166-F1192 HydrophobicContact CB-CE2 4.37Å; I1166-F1192 HydrophobicContact CG1-CE2 4.35Å; I1166-F1192 HydrophobicContact CG2-CD2 3.58Å; I1166-F1192 HydrophobicContact CG2-CE2 3.65Å; V1169-F1192 HydrophobicContact CB-CZ 4.45Å; V1169-F1192 HydrophobicContact CG1-CE1 4.47Å; V1169-F1192 HydrophobicContact CG1-CZ 4.04Å; A1170-F1192 HydrophobicContact CB-CD1 3.94Å; A1170-F1192 HydrophobicContact CB-CE1 4.09Å; A1170-F1192 HydrophobicContact CB-CG 4.31Å; I1173-F1192 HydrophobicContact CD1-CE1 4.01Å; V1185-F1192 HydrophobicContact CG1-CD1 4.02Å; V1185-F1192 HydrophobicContact CG1-CE1 4.33Å; S1187-F1192 WeakPolarHBondContact OG-CB 3.34Å; K1189-F1192 PolarHBondContact O-N 3.35Å; E1190-F1192 PolarHBondContact O-N 3.37Å; E1190-F1192 VanDerWaalsContact O-N 3.15Å; F1192-K1195 PolarHBondContact O-N 3.08Å
1193	Y	85	Confident	88	Confident	64 Å²	64	35.3 Å²	35.3	25%	0.251	17%	0.173	S	C	.	.	H	α-helix	trans	-79.7	-18.7	-172.1	62.8	-110.1	0	0	0	113.5	I31 K1189 E1190 K1195 A1196	I31-Y1193 HydrophobicContact CG2-CD1 3.81Å; I31-Y1193 HydrophobicContact CG2-CG 3.93Å; K1189-Y1193 WeakPolarHBondContact O-CD1 3.48Å; K1189-Y1193 VanDerWaalsContact O-CE1 3.28Å; K1189-Y1193 WeakPolarHBondContact O-CE1 2.97Å; E1190-Y1193 HydrophobicContact CB-CE1 4.28Å; E1190-Y1193 HydrophobicContact CB-CE2 4.36Å; E1190-Y1193 HydrophobicContact CG-CE2 4.07Å; E1190-Y1193 PolarHBondContact O-N 3.37Å; Y1193-K1195 PolarHBondContact O-N 3.27Å; Y1193-A1196 PolarHBondContact O-N 3.44Å
1194	T	84.9	Confident	87.9	Confident	67 Å²	67	38.3 Å²	38.3	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20	170.3	49.6	0	0	0	0	113.5	E1190	E1190-T1194 HydrophobicContact CG-CG2 3.72Å; E1190-T1194 WeakPolarHBondContact O-CB 3.2Å; E1190-T1194 WeakPolarHBondContact O-CG2 3.06Å; E1190-T1194 PolarHBondContact O-N 3.18Å; E1190-T1194 PolarHBondContact O-OG1 3.33Å
1195	K	84.7	Confident	87.7	Confident	63 Å²	63	42.7 Å²	42.7	27%	0.274	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.6	179.4	-64.9	-58.3	-177.9	-167.8	0	113.7	F27 K1174 F1192 Y1193	F27-K1195 WeakPolarHBondContact CD1-O 3.39Å; F27-K1195 HydrophobicContact CE1-CB 4.01Å; F27-K1195 WeakPolarHBondContact CE1-O 3.3Å; K1174-K1195 HydrophobicContact CD-CB 4.2Å; K1174-K1195 HydrophobicContact CD-CD 4.36Å; F1192-K1195 PolarHBondContact O-N 3.08Å; Y1193-K1195 PolarHBondContact O-N 3.27Å
1196	A	88.1	Confident	86.7	Confident	7 Å²	7	52.2 Å²	52.2	6%	0.058	26%	0.257	C	S	.	.			trans	-79	153.2	-179.7	0	0	0	0	0	112.6	F27 A29 Y1193 L1219	F27-A1196 HydrophobicContact CD1-CB 4.26Å; F27-A1196 HydrophobicContact CD2-CB 4.26Å; F27-A1196 HydrophobicContact CE1-CB 4.32Å; F27-A1196 HydrophobicContact CE2-CB 4.29Å; F27-A1196 HydrophobicContact CG-CB 4.2Å; F27-A1196 HydrophobicContact CZ-CB 4.32Å; A29-A1196 HydrophobicContact CB-CB 3.65Å; Y1193-A1196 PolarHBondContact O-N 3.44Å; A1196-L1219 VanDerWaalsContact O-CD1 3.29Å; A1196-L1219 WeakPolarHBondContact O-CD1 3.41Å
1197	D	88.4	Confident	85.6	Confident	39 Å²	39	54.6 Å²	54.6	21%	0.209	28%	0.282	C	S	.	.	S	Bend	trans	-81.1	-25.8	174.5	-53.9	-48.4	0	0	0	111.6	H25 K26 F27 L1219 S1220	H25-D1197 HydrophobicContact CB-CB 4.01Å; K26-D1197 WeakPolarHBondContact CB-OD2 3.48Å; F27-D1197 WeakPolarHBondContact CB-OD2 3.49Å; F27-D1197 PolarHBondContact N-OD2 2.97Å; F27-D1197 WeakPolarHBondContact O-CA 3.18Å; F27-D1197 WeakPolarHBondContact O-CB 3.46Å; F27-D1197 PolarHBondContact O-N 2.9Å; D1197-L1219 WeakPolarHBondContact O-CA 3.19Å; D1197-L1219 WeakPolarHBondContact O-CB 3.18Å; D1197-L1219 PolarHBondContact O-N 2.71Å; D1197-S1220 PolarHBondContact O-N 2.95Å
1198	S	90.9	Very high	84.6	Confident	4 Å²	4	62 Å²	62	3%	0.028	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.1	176.6	60.1	0	0	0	0	112.7	H25 F27 T28 A29 F1217	H25-S1198 VanDerWaalsContact ND1-CB 3.29Å; H25-S1198 WeakPolarHBondContact ND1-CB 3.27Å; H25-S1198 PolarHBondContact ND1-OG 3.34Å; H25-S1198 VanDerWaalsContact ND1-OG 3.13Å; F27-S1198 PolarHBondContact O-N 3.17Å; T28-S1198 WeakPolarHBondContact CA-O 3.18Å; T28-S1198 PolarHBondContact OG1-OG 2.72Å; A29-S1198 PolarHBondContact N-O 2.85Å; S1198-F1217 CarbonylContact C-O 3.55Å; S1198-F1217 WeakPolarHBondContact CA-O 3.34Å
1199	L	91.7	Very high	84.1	Confident	24 Å²	24	59.9 Å²	59.9	13%	0.126	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136	177.8	-58.7	174.9	0	0	0	110.6	A29 I31 T1216 F1217 L1219	A29-L1199 HydrophobicContact CB-CD2 3.94Å; A29-L1199 CarbonylContact O-C 3.55Å; A29-L1199 VanDerWaalsContact O-CA 3.31Å; A29-L1199 WeakPolarHBondContact O-CA 3.45Å; I31-L1199 HydrophobicContact CD1-CD1 4.27Å; L1199-T1216 WeakPolarHBondContact O-CA 3.47Å; L1199-F1217 HydrophobicContact CB-CB 4.31Å; L1199-F1217 PolarHBondContact N-O 3.01Å; L1199-F1217 PolarHBondContact O-N 3.21Å; L1199-L1219 HydrophobicContact CD1-CD1 3.83Å; L1199-L1219 HydrophobicContact CD1-CD2 4.07Å; L1199-L1219 HydrophobicContact CD1-CG 4.09Å; L1199-L1219 HydrophobicContact CD2-CD1 3.85Å; L1199-L1219 HydrophobicContact CG-CD1 3.54Å; L1199-L1219 HydrophobicContact CG-CD2 4.47Å; L1199-L1219 HydrophobicContact CG-CG 3.94Å
1200	I	92.6	Very high	83.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	104.8	170.3	-60.7	-176.7	0	0	0	107.8	I21 F24 T28 A29 I30 I31 V1214 L1215 T1216	I21-I1200 HydrophobicContact CG2-CD1 4.16Å; I21-I1200 HydrophobicContact CG2-CG2 4.13Å; F24-I1200 HydrophobicContact CD1-CD1 3.79Å; F24-I1200 HydrophobicContact CE1-CD1 3.49Å; F24-I1200 VanDerWaalsContact CE1-CD1 3.49Å; F24-I1200 HydrophobicContact CG-CD1 4.46Å; F24-I1200 HydrophobicContact CZ-CD1 3.93Å; T28-I1200 HydrophobicContact CG2-CD1 3.6Å; T28-I1200 HydrophobicContact CG2-CG1 3.72Å; A29-I1200 PolarHBondContact O-N 3.13Å; I30-I1200 CarbonylContact C-O 3.59Å; I30-I1200 WeakPolarHBondContact CA-O 3.39Å; I30-I1200 HydrophobicContact CG1-CB 4.07Å; I31-I1200 PolarHBondContact N-O 2.85Å; I1200-V1214 HydrophobicContact CG2-CG1 3.49Å; I1200-V1214 VanDerWaalsContact CG2-CG1 3.49Å; I1200-L1215 CarbonylContact C-O 3.58Å; I1200-L1215 WeakPolarHBondContact CA-O 3.38Å; I1200-T1216 HydrophobicContact CG1-CG2 4.04Å
1201	G	92	Very high	84.1	Confident	19 Å²	19	55.2 Å²	55.2	20%	0.196	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.6	178.6	0	0	0	0	0	111.7	I31 V1214 L1215	I31-G1201 CarbonylContact O-C 3.44Å; I31-G1201 WeakPolarHBondContact O-CA 3.49Å; G1201-V1214 CarbonylContact O-C 3.44Å; G1201-V1214 WeakPolarHBondContact O-CA 3.49Å; G1201-L1215 PolarHBondContact N-O 3.48Å; G1201-L1215 PolarHBondContact O-N 3.32Å
1202	V	91.7	Very high	84.4	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.1	175.6	-171.4	0	0	0	0	109.8	I30 I31 G32 S36 K38 K1213 V1214	I30-V1202 HydrophobicContact CG2-CG2 4.07Å; I31-V1202 PolarHBondContact O-N 3.06Å; G32-V1202 WeakPolarHBondContact CA-O 3.44Å; S36-V1202 WeakPolarHBondContact CB-O 3.36Å; S36-V1202 WeakPolarHBondContact O-CG1 3.41Å; S36-V1202 PolarHBondContact OG-O 3.24Å; K38-V1202 HydrophobicContact CG-CB 4.1Å; K38-V1202 HydrophobicContact CG-CG2 4.39Å; V1202-K1213 WeakPolarHBondContact CA-O 3.26Å; V1202-V1214 HydrophobicContact CG2-CG2 4.44Å
1203	Y	89.6	Confident	84.6	Confident	96 Å²	96	54.6 Å²	54.6	38%	0.376	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.9	-179.3	73.5	-83.6	0	0	0	111.8	K1213 L1215	Y1203-K1213 HydrophobicContact CD1-CB 4.03Å; Y1203-K1213 HydrophobicContact CD2-CB 4.46Å; Y1203-K1213 HydrophobicContact CE1-CB 3.42Å; Y1203-K1213 VanDerWaalsContact CE1-CB 3.42Å; Y1203-K1213 HydrophobicContact CE2-CB 3.93Å; Y1203-K1213 HydrophobicContact CE2-CG 4.41Å; Y1203-K1213 PolarHBondContact N-O 3.35Å; Y1203-K1213 PolarHBondContact O-N 2.91Å; Y1203-L1215 HydrophobicContact CD1-CD1 4.05Å; Y1203-L1215 HydrophobicContact CD1-CG 4.13Å; Y1203-L1215 HydrophobicContact CE1-CD1 3.91Å; Y1203-L1215 HydrophobicContact CE1-CD2 4.24Å; Y1203-L1215 HydrophobicContact CE1-CG 3.77Å
1204	P	88.6	Confident	84.9	Confident	63 Å²	63	52.8 Å²	52.8	41%	0.409	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.1	177.1	33.6	-31	0	0	0	111.4	V1210 I1211	P1204-V1210 HydrophobicContact CB-CG1 4.18Å; P1204-I1211 WeakPolarHBondContact CA-O 3.38Å
1205	E	86.3	Confident	85.2	Confident	92 Å²	92	54.8 Å²	54.8	43%	0.43	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.8	170.1	-173.8	174.5	-154.7	0	0	109.4	I1211 K1213	E1205-I1211 HydrophobicContact CB-CB 4.38Å; E1205-I1211 PolarHBondContact N-O 2.99Å; E1205-K1213 HydrophobicContact CB-CG 4.33Å; E1205-K1213 WeakPolarHBondContact OE2-CE 3.49Å
1206	Q	69.7	Low	85.4	Confident	200 Å²	200	55.1 Å²	55.1	94%	0.935	31%	0.305	S	S	*	.			trans	-72.5	131.1	-178.5	-77.3	-177.2	-11.5	0	0	111.6
1207	G	66.1	Low	85.5	Confident	52 Å²	52	59.6 Å²	59.6	54%	0.536	32%	0.324	S	S	.	.	S	Bend	trans	-169.2	-177.1	174.9	0	0	0	0	0	112	C1209	G1207-C1209 PolarHBondContact O-N 3.12Å
1208	D	67.4	Low	85.5	Confident	157 Å²	157	59.6 Å²	59.6	84%	0.84	32%	0.324	S	S	*	.	S	Bend	trans	-57	-21.9	177.6	-71	-24.7	0	0	0	113.7
1209	C	72.1	Confident	85.3	Confident	33 Å²	33	61.4 Å²	61.4	22%	0.223	33%	0.333	C	S	.	.	S	Bend	trans	-139.4	156.6	172.8	-53.1	0	0	0	0	107.7	G1207 I1211	G1207-C1209 PolarHBondContact O-N 3.12Å; C1209-I1211 PolarHBondContact O-N 3.43Å; C1209-I1211 VanDerWaalsContact O-N 3.17Å
1210	V	80.9	Confident	84.7	Confident	85 Å²	85	64 Å²	64	52%	0.515	35%	0.353	S	S	.	.			trans	-62.8	119	176.3	-179.9	0	0	0	0	109.9	P1204	P1204-V1210 HydrophobicContact CB-CG1 4.18Å
1211	I	88	Confident	84.1	Confident	22 Å²	22	70.3 Å²	70.3	11%	0.113	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.9	175.1	-62.2	168.1	0	0	0	108.4	S14 K16 P1204 E1205 C1209	S14-I1211 CarbonylContact O-C 3.58Å; S14-I1211 WeakPolarHBondContact O-CA 3.41Å; K16-I1211 HydrophobicContact CB-CD1 4.43Å; K16-I1211 HydrophobicContact CB-CG1 4.17Å; K16-I1211 HydrophobicContact CB-CG2 4.06Å; K16-I1211 HydrophobicContact CD-CD1 3.75Å; K16-I1211 HydrophobicContact CD-CG1 4.24Å; P1204-I1211 WeakPolarHBondContact CA-O 3.38Å; E1205-I1211 HydrophobicContact CB-CB 4.38Å; E1205-I1211 PolarHBondContact N-O 2.99Å; C1209-I1211 PolarHBondContact O-N 3.43Å; C1209-I1211 VanDerWaalsContact O-N 3.17Å
1212	S	89.9	Confident	83.5	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.8	177.1	-63.4	0	0	0	0	110.9	S14 Y15 S36	S14-S1212 VanDerWaalsContact CB-OG 3.25Å; S14-S1212 WeakPolarHBondContact CB-OG 3.35Å; S14-S1212 PolarHBondContact O-N 3.17Å; S14-S1212 WeakPolarHBondContact OG-CB 3.5Å; S14-S1212 PolarHBondContact OG-OG 3.16Å; Y15-S1212 WeakPolarHBondContact CD1-O 3.46Å; S36-S1212 WeakPolarHBondContact O-CB 3.39Å; S36-S1212 PolarHBondContact O-OG 3.18Å
1213	K	88.7	Confident	82.1	Confident	57 Å²	57	81.6 Å²	81.6	25%	0.248	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	157.7	171.7	-69.9	-67.9	-173.5	178.2	0	110.4	V1202 Y1203 E1205	V1202-K1213 WeakPolarHBondContact CA-O 3.26Å; Y1203-K1213 HydrophobicContact CD1-CB 4.03Å; Y1203-K1213 HydrophobicContact CD2-CB 4.46Å; Y1203-K1213 HydrophobicContact CE1-CB 3.42Å; Y1203-K1213 VanDerWaalsContact CE1-CB 3.42Å; Y1203-K1213 HydrophobicContact CE2-CB 3.93Å; Y1203-K1213 HydrophobicContact CE2-CG 4.41Å; Y1203-K1213 PolarHBondContact N-O 3.35Å; Y1203-K1213 PolarHBondContact O-N 2.91Å; E1205-K1213 HydrophobicContact CB-CG 4.33Å; E1205-K1213 WeakPolarHBondContact OE2-CE 3.49Å
1214	V	90.9	Very high	80.7	Confident	27 Å²	27	82 Å²	82	16%	0.164	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.5	-173.3	-176.6	0	0	0	0	110.3	Y15 I21 I1200 G1201 V1202 T1216	Y15-V1214 HydrophobicContact CE1-CG2 3.87Å; I21-V1214 HydrophobicContact CD1-CG2 4.11Å; I21-V1214 HydrophobicContact CG1-CG1 4.49Å; I21-V1214 HydrophobicContact CG1-CG2 4.04Å; I21-V1214 HydrophobicContact CG2-CG1 4.36Å; I1200-V1214 HydrophobicContact CG2-CG1 3.49Å; I1200-V1214 VanDerWaalsContact CG2-CG1 3.49Å; G1201-V1214 CarbonylContact O-C 3.44Å; G1201-V1214 WeakPolarHBondContact O-CA 3.49Å; V1202-V1214 HydrophobicContact CG2-CG2 4.44Å; V1214-T1216 HydrophobicContact CG1-CG2 4.49Å
1215	L	90.8	Very high	78.8	Confident	108 Å²	108	83.8 Å²	83.8	57%	0.565	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.2	170.4	-61.1	171.4	0	0	0	108.3	I1200 G1201 Y1203	I1200-L1215 CarbonylContact C-O 3.58Å; I1200-L1215 WeakPolarHBondContact CA-O 3.38Å; G1201-L1215 PolarHBondContact N-O 3.48Å; G1201-L1215 PolarHBondContact O-N 3.32Å; Y1203-L1215 HydrophobicContact CD1-CD1 4.05Å; Y1203-L1215 HydrophobicContact CD1-CG 4.13Å; Y1203-L1215 HydrophobicContact CE1-CD1 3.91Å; Y1203-L1215 HydrophobicContact CE1-CD2 4.24Å; Y1203-L1215 HydrophobicContact CE1-CG 3.77Å
1216	T	89.7	Confident	77	Confident	70 Å²	70	86.5 Å²	86.5	43%	0.429	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.3	175.4	54.3	0	0	0	0	110.6	G22 L1199 I1200 V1214	G22-T1216 WeakPolarHBondContact O-CG2 3.3Å; L1199-T1216 WeakPolarHBondContact O-CA 3.47Å; I1200-T1216 HydrophobicContact CG1-CG2 4.04Å; V1214-T1216 HydrophobicContact CG1-CG2 4.49Å
1217	F	89.6	Confident	76	Confident	102 Å²	102	82.7 Å²	82.7	45%	0.447	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	129.8	-178.9	-164.1	-97.5	0	0	0	109.6	S1198 L1199 L1219 Y1222	S1198-F1217 CarbonylContact C-O 3.55Å; S1198-F1217 WeakPolarHBondContact CA-O 3.34Å; L1199-F1217 HydrophobicContact CB-CB 4.31Å; L1199-F1217 PolarHBondContact N-O 3.01Å; L1199-F1217 PolarHBondContact O-N 3.21Å; F1217-L1219 HydrophobicContact CD1-CD2 3.87Å; F1217-L1219 HydrophobicContact CD1-CG 4.4Å; F1217-L1219 HydrophobicContact CE1-CD2 3.93Å; F1217-Y1222 HydrophobicContact CE1-CD2 4.06Å; F1217-Y1222 AromaticContact CE1-CE2 3.54Å; F1217-Y1222 HydrophobicContact CE1-CE2 3.54Å; F1217-Y1222 HydrophobicContact CZ-CD2 4.39Å; F1217-Y1222 AromaticContact CZ-CE2 3.46Å; F1217-Y1222 HydrophobicContact CZ-CE2 3.46Å; F1217-Y1222 VanDerWaalsContact CZ-CE2 3.46Å; F1217-Y1222 AromaticContact CZ-CZ 3.92Å
1218	D	88.8	Confident	74.7	Confident	39 Å²	39	87 Å²	87	21%	0.209	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.6	-179.4	177.5	9.7	0	0	0	109.4	S1220 Q1221	D1218-S1220 VanDerWaalsContact CG-OG 3.28Å; D1218-S1220 VanDerWaalsContact OD1-CB 3.31Å; D1218-S1220 WeakPolarHBondContact OD1-CB 3.41Å; D1218-S1220 PolarHBondContact OD1-N 3.11Å; D1218-S1220 PolarHBondContact OD1-OG 3.45Å; D1218-S1220 PolarHBondContact OD2-OG 3.36Å; D1218-Q1221 PolarHBondContact OD2-NE2 3.49Å
1219	L	85.9	Confident	73.6	Confident	42 Å²	42	85 Å²	85	22%	0.22	48%	0.48	C	S	.	.			trans	-87	-15.4	-179	-70.9	175.7	0	0	0	112.5	A1196 D1197 L1199 F1217 Q1221 Y1222	A1196-L1219 VanDerWaalsContact O-CD1 3.29Å; A1196-L1219 WeakPolarHBondContact O-CD1 3.41Å; D1197-L1219 WeakPolarHBondContact O-CA 3.19Å; D1197-L1219 WeakPolarHBondContact O-CB 3.18Å; D1197-L1219 PolarHBondContact O-N 2.71Å; L1199-L1219 HydrophobicContact CD1-CD1 3.83Å; L1199-L1219 HydrophobicContact CD1-CD2 4.07Å; L1199-L1219 HydrophobicContact CD1-CG 4.09Å; L1199-L1219 HydrophobicContact CD2-CD1 3.85Å; L1199-L1219 HydrophobicContact CG-CD1 3.54Å; L1199-L1219 HydrophobicContact CG-CD2 4.47Å; L1199-L1219 HydrophobicContact CG-CG 3.94Å; F1217-L1219 HydrophobicContact CD1-CD2 3.87Å; F1217-L1219 HydrophobicContact CD1-CG 4.4Å; F1217-L1219 HydrophobicContact CE1-CD2 3.93Å; L1219-Q1221 PolarHBondContact O-N 2.79Å; L1219-Q1221 VanDerWaalsContact O-N 3.08Å; L1219-Y1222 PolarHBondContact O-N 3.41Å
1220	S	79.6	Confident	72	Confident	79 Å²	79	91 Å²	91	55%	0.552	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.5	-179.6	71.1	0	0	0	0	113.4	D1197 D1218 Y1222	D1197-S1220 PolarHBondContact O-N 2.95Å; D1218-S1220 VanDerWaalsContact CG-OG 3.28Å; D1218-S1220 VanDerWaalsContact OD1-CB 3.31Å; D1218-S1220 WeakPolarHBondContact OD1-CB 3.41Å; D1218-S1220 PolarHBondContact OD1-N 3.11Å; D1218-S1220 PolarHBondContact OD1-OG 3.45Å; D1218-S1220 PolarHBondContact OD2-OG 3.36Å; S1220-Y1222 VanDerWaalsContact C-N 3.26Å; S1220-Y1222 PolarHBondContact O-N 3.41Å
1221	Q	79.9	Confident	69.8	Low	132 Å²	132	99.6 Å²	99.6	62%	0.617	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.1	177.7	-58.2	179.8	22.9	0	0	113.2	D1218 L1219 P1223	D1218-Q1221 PolarHBondContact OD2-NE2 3.49Å; L1219-Q1221 PolarHBondContact O-N 2.79Å; L1219-Q1221 VanDerWaalsContact O-N 3.08Å; Q1221-P1223 WeakPolarHBondContact O-CD 3.32Å
1222	Y	80.5	Confident	68.9	Low	144 Å²	144	103.5 Å²	103.5	57%	0.565	57%	0.566	S	S	*	*	S	Bend	trans	-120.8	83.3	-177.4	-56.6	-80.7	0	0	0	110	F1217 L1219 S1220	F1217-Y1222 HydrophobicContact CE1-CD2 4.06Å; F1217-Y1222 AromaticContact CE1-CE2 3.54Å; F1217-Y1222 HydrophobicContact CE1-CE2 3.54Å; F1217-Y1222 HydrophobicContact CZ-CD2 4.39Å; F1217-Y1222 AromaticContact CZ-CE2 3.46Å; F1217-Y1222 HydrophobicContact CZ-CE2 3.46Å; F1217-Y1222 VanDerWaalsContact CZ-CE2 3.46Å; F1217-Y1222 AromaticContact CZ-CZ 3.92Å; L1219-Y1222 PolarHBondContact O-N 3.41Å; S1220-Y1222 VanDerWaalsContact C-N 3.26Å; S1220-Y1222 PolarHBondContact O-N 3.41Å
1223	P	62.2	Low	67.7	Low	114 Å²	114	108.9 Å²	108.9	74%	0.74	60%	0.596	S	S	*	*			trans	-64.7	142.9	-177.5	23.9	-31.8	0	0	0	112.4	Q1221 A1225	Q1221-P1223 WeakPolarHBondContact O-CD 3.32Å; P1223-A1225 PolarHBondContact O-N 3.18Å
1224	D	60.4	Low	66.6	Low	104 Å²	104	111.8 Å²	111.8	56%	0.556	62%	0.615	S	S	*	*			trans	-53.6	124.9	177.2	-81.7	-35.7	0	0	0	110.7	K1174 N1226	K1174-D1224 IonicContact NZ-OD2 3.76Å; D1224-N1226 PolarHBondContact O-N 3.1Å
1225	A	48.2	Very low	65.2	Low	100 Å²	100	116.8 Å²	116.8	83%	0.826	64%	0.641	S	S	*	*	S	Bend	trans	-72	20.6	-171.4	0	0	0	0	0	116	P1223	P1223-A1225 PolarHBondContact O-N 3.18Å
1226	N	48	Very low	63.6	Low	149 Å²	149	117.3 Å²	117.3	80%	0.797	65%	0.646	S	S	*	*			trans	-161.4	103	173.2	-102.5	-20.9	0	0	0	112.2	D1224	D1224-N1226 PolarHBondContact O-N 3.1Å
1227	P	48.1	Very low	61.8	Low	121 Å²	121	120.5 Å²	120.5	79%	0.786	66%	0.661	S	S	*	*			trans	-101	84.9	172.9	34.4	-24	0	0	0	111.5
1228	N	40.1	Very low	59.8	Low	142 Å²	142	121.8 Å²	121.8	76%	0.759	68%	0.676	S	S	*	*			trans	68.8	154.4	150.5	-101.2	-6.4	0	0	0	120.8
1229	P	43.7	Very low	57.6	Low	115 Å²	115	128.2 Å²	128.2	75%	0.747	71%	0.712	S	S	*	*	S	Bend		-154.3	129.2	61.7	37.5	-13.8	0	0	0	118
1230	N	38	Very low	55.2	Low	158 Å²	158	135.3 Å²	135.3	85%	0.845	75%	0.753	S	S	*	*			trans	100.8	20.1	166	-64.7	-14.8	0	0	0	121.5
1231	E	34.3	Very low	53	Low	266 Å²	266	140.5 Å²	140.5	100%	1.243	77%	0.771	S	S	*	*			trans	-132	0	175	-73.8	-174	159.8	0	0	115.4

Retrieved 1,231 of 1,231 residues in 456.5 ms (Link to these results)

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