A0A5K4F575_SCHMA Loading...

Kinesin motor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F575, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,283 aa.

						>A0A5K4F575_SCHMA|A0A5K4F575
MEIGDTSVKVGVRVRPLSSSEVNDGSSTCLSYLNEENQLIIGNDKLFGFDYVFKETDSQEYVYRKAALPMVENILKGYNVTLFAYGQTGSGKTYTMGTCISESVVEESAGIVPRIIKDLFEKMPNYEYEYTVKVSFLEIYKEDIHDLLGEDVSASLQIREENQLVKIPGLTETVVTSPEEVLYLLHCGSTKRSVASTAMNLKSSRSHAILTLCFLLRPKITELDGESTEDTLTAKLHLVDLAGSERIKKTHAEGDRLKEGIDINRGLLALGNVISALCERDAKKRSHIPYRDSRLTRLLQDSLGGNSATLMLACVSPADINMEETLNTLRYADRARLIKNKPILNRADPKDAELAKLRVLVAQLQARLTNGSSCFPLLSPCPKTIIKPLSATTINNNSTNSQFSSEVVTNLMNKNKKLESEKLLLCAELDHTVEKMNELYRNNFDADNLRDTVISELQKVESIINSLKQFVRDKFNESPELISYIQELEDILTGLIKIFNESNKITNEDLEHAYKQSSDFLAEFQSDSTCFDAEEVVEKTALNIHTEIDVNNNANCISNLSSIKTTAQPQLVDRWGSELRARRLECKQRIETIEATIRQKNVLLTSLEAAAEQGDESYYLLLKKYESQIRELESKVIDLEREKSKLLAEHSNEELKDSKMQREARLKTMEQELNQTRRQLTELSRLKKAKEAREAECLRLRNEIQSLKSSMIRSAKQLKEESTAYRKWRKEKETEVKKLQEHDRRLQCEMSRMVSVHERQQTVLKRRIEAAAAAERRLKELLLRQKDIRNERDKRVSEGNNVKKFDLATRVRAWVKTDLDIQISMDAVRYHLSHFMDSRKTLCDRLRTIEAKMESCRQDGQPYDMYIEEVNSLTESIQCQTQQISDLQQKLMDAGERSSTDASGPPDSTGQMLSSRLSQLHNIQEARIALKYLFRQASSSEVSKINLETQIYELESQLNSEKQKVENLLQTTENYSVELLKSEENMKDIQSRLQAANEHIDQLEKENSELREASKIQHDNLMKIRSLMANSPSTTGLTVENKLSNTPVLRQYSSTNNCTFTLLSDDENENVYPQTNILTDKSLNFSDDLNTNDGGEPGVKLKKVESDWSLPFTVVTDINSNTDADSHQPRCKCRGTCQARCSCKRSGRPCVPSHCHCVLGLCKNRSDSSSENSKILSSVNNSATVMGPPSGFPVILRPKRKTRALHLNLNKEQQNEHDAHTMMNETFDLNKQQSPTSISESNDNDDLQSPTSNSQLSDGGSLRYLWPKNRLSYFPSPLLRSDR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	71.1	Confident	222 Å²	222	68.6 Å²	68.6	100%	1.094	39%	0.388	S	S	*	.				0	114.5	0	-166.8	176.1	-168.9	0	0	106.8
2	E	42.4	Very low	73.2	Confident	183 Å²	183	62.9 Å²	62.9	86%	0.855	36%	0.355	S	S	*	.			trans	-74.1	150.4	177.8	-63.6	-175.5	145.5	0	0	110.3	G4	E2-G4 PolarHBondContact O-N 3.4Å
3	I	54.9	Low	74.9	Confident	42 Å²	42	59.6 Å²	59.6	22%	0.215	33%	0.334	C	S	.	.			trans	-74.5	94.5	174.2	-62.4	175.4	0	0	0	107.6	D5 Y78 P342	I3-D5 WeakPolarHBondContact CG2-O 3.11Å; I3-D5 PolarHBondContact O-N 2.89Å; I3-D5 VanDerWaalsContact O-N 3.1Å; I3-Y78 HydrophobicContact CD1-CD1 3.61Å; I3-Y78 HydrophobicContact CD1-CD2 3.91Å; I3-Y78 HydrophobicContact CD1-CE1 3.69Å; I3-Y78 HydrophobicContact CD1-CE2 4Å; I3-Y78 HydrophobicContact CD1-CG 3.71Å; I3-Y78 HydrophobicContact CG1-CE1 4.32Å; I3-Y78 HydrophobicContact CG1-CE2 4.38Å; I3-P342 HydrophobicContact CB-CG 4.32Å; I3-P342 HydrophobicContact CD1-CB 3.95Å; I3-P342 HydrophobicContact CD1-CG 3.83Å; I3-P342 HydrophobicContact CG2-CG 4.31Å
4	G	52.2	Low	76.3	Confident	86 Å²	86	55.4 Å²	55.4	89%	0.887	31%	0.31	S	S	*	.	S	Bend	trans	-65.1	-13.1	-168.9	0	0	0	0	0	116.1	E2	E2-G4 PolarHBondContact O-N 3.4Å
5	D	63.1	Low	77.5	Confident	74 Å²	74	54.6 Å²	54.6	40%	0.396	30%	0.301	S	S	.	.			trans	-123.2	114.3	169.5	-174.3	3.7	0	0	0	110.5	I3 S7	I3-D5 WeakPolarHBondContact CG2-O 3.11Å; I3-D5 PolarHBondContact O-N 2.89Å; I3-D5 VanDerWaalsContact O-N 3.1Å; D5-S7 VanDerWaalsContact CG-OG 3.26Å; D5-S7 WeakPolarHBondContact OD1-CB 3.4Å; D5-S7 PolarHBondContact OD1-N 2.64Å; D5-S7 PolarHBondContact OD1-OG 2.8Å; D5-S7 PolarHBondContact OD2-OG 3.27Å; D5-S7 VanDerWaalsContact OD2-OG 3.13Å
6	T	74.9	Confident	78.4	Confident	61 Å²	61	56 Å²	56	37%	0.374	31%	0.313	S	S	.	.			trans	-88.2	-4.2	179.1	49.4	0	0	0	0	114	N340	T6-N340 WeakPolarHBondContact CB-O 3.29Å; T6-N340 PolarHBondContact O-N 3.09Å
7	S	85.6	Confident	79	Confident	25 Å²	25	55.6 Å²	55.6	18%	0.175	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-73.5	155.2	-179	66.3	0	0	0	0	112.7	D5 K9 I338	D5-S7 VanDerWaalsContact CG-OG 3.26Å; D5-S7 WeakPolarHBondContact OD1-CB 3.4Å; D5-S7 PolarHBondContact OD1-N 2.64Å; D5-S7 PolarHBondContact OD1-OG 2.8Å; D5-S7 PolarHBondContact OD2-OG 3.27Å; D5-S7 VanDerWaalsContact OD2-OG 3.13Å; S7-K9 PolarHBondContact O-N 3.01Å; S7-I338 WeakPolarHBondContact CA-O 3.46Å
8	V	92	Very high	79.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.6	117.6	169.2	173.8	0	0	0	0	108.1	L303 T309 R336 I338	V8-L303 HydrophobicContact CG2-CD2 4.44Å; V8-T309 HydrophobicContact CG1-CG2 4.07Å; V8-R336 WeakPolarHBondContact O-CA 3.35Å; V8-I338 HydrophobicContact CB-CB 4.49Å; V8-I338 HydrophobicContact CG2-CB 3.87Å; V8-I338 HydrophobicContact CG2-CG2 3.94Å; V8-I338 PolarHBondContact N-O 3.46Å
9	K	94	Very high	79.7	Confident	62 Å²	62	56.8 Å²	56.8	27%	0.27	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	143.6	178.4	-64.4	-163.6	177.8	-171.4	0	110.8	S7 D50 Y51 M70 T309 L310 M311	S7-K9 PolarHBondContact O-N 3.01Å; K9-D50 WeakPolarHBondContact CA-OD2 3.45Å; K9-Y51 HydrophobicContact CD-CE2 4.45Å; K9-M70 HydrophobicContact CD-CE 4Å; K9-T309 PolarHBondContact N-O 3.23Å; K9-L310 HydrophobicContact CB-CD1 4.06Å; K9-L310 CarbonylContact O-C 3.56Å; K9-L310 WeakPolarHBondContact O-CA 3.5Å; K9-M311 PolarHBondContact O-N 3.24Å
10	V	94.9	Very high	79.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.6	-174.2	-178.8	0	0	0	0	110.3	F49 D50 Y51 M311 A332 A335 R336	V10-F49 HydrophobicContact CB-CD1 4.28Å; V10-F49 HydrophobicContact CG1-CD1 3.59Å; V10-F49 HydrophobicContact CG1-CE1 4.11Å; V10-D50 PolarHBondContact N-OD2 2.95Å; V10-D50 PolarHBondContact O-N 3.26Å; V10-D50 VanDerWaalsContact O-N 3.15Å; V10-Y51 PolarHBondContact O-N 3.25Å; V10-M311 WeakPolarHBondContact CA-O 3.4Å; V10-M311 HydrophobicContact CG2-CB 4.31Å; V10-A332 HydrophobicContact CG1-CB 3.71Å; V10-A335 HydrophobicContact CG2-CB 4.38Å; V10-R336 HydrophobicContact CB-CB 4.37Å; V10-R336 HydrophobicContact CG2-CB 3.66Å; V10-R336 HydrophobicContact CG2-CG 4.3Å
11	G	95	Very high	80.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.7	169	0	0	0	0	0	111.2	Y51 M311 L312 A313	G11-Y51 CarbonylContact C-O 3.47Å; G11-Y51 VanDerWaalsContact CA-O 3.31Å; G11-Y51 WeakPolarHBondContact CA-O 3.27Å; G11-M311 PolarHBondContact N-O 3.03Å; G11-L312 CarbonylContact O-C 3.54Å; G11-L312 WeakPolarHBondContact O-CA 3.33Å; G11-A313 PolarHBondContact O-N 3.42Å
12	V	96.4	Very high	82.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133	167.1	177.8	0	0	0	0	109	V14 L39 F49 Y51 F53 A313 V315 L329	V12-V14 HydrophobicContact CG1-CG2 4.44Å; V12-L39 HydrophobicContact CB-CD2 4.03Å; V12-L39 HydrophobicContact CG1-CD2 3.76Å; V12-L39 HydrophobicContact CG2-CD2 4.17Å; V12-F49 HydrophobicContact CB-CD2 4.36Å; V12-F49 HydrophobicContact CG2-CB 4.4Å; V12-F49 HydrophobicContact CG2-CD1 3.97Å; V12-F49 HydrophobicContact CG2-CD2 3.43Å; V12-F49 VanDerWaalsContact CG2-CD2 3.43Å; V12-F49 HydrophobicContact CG2-CE1 4.05Å; V12-F49 HydrophobicContact CG2-CE2 3.53Å; V12-F49 HydrophobicContact CG2-CG 3.66Å; V12-F49 HydrophobicContact CG2-CZ 3.84Å; V12-Y51 PolarHBondContact N-O 3.07Å; V12-F53 WeakPolarHBondContact O-CD2 3.42Å; V12-F53 PolarHBondContact O-N 2.81Å; V12-A313 WeakPolarHBondContact CA-O 3.43Å; V12-A313 HydrophobicContact CG2-CB 4.13Å; V12-V315 HydrophobicContact CG1-CG2 3.95Å; V12-L329 HydrophobicContact CG1-CD2 4.01Å; V12-L329 HydrophobicContact CG2-CD2 3.84Å
13	R	95.5	Very high	84.5	Confident	20 Å²	20	45.8 Å²	45.8	8%	0.075	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.2	170.6	-171.7	-175.7	-166.9	176.7	12.9	110.8	F53 D57 Q59 T95 A313 C314 V315	R13-F53 HydrophobicContact CB-CB 4.24Å; R13-F53 HydrophobicContact CG-CB 4.03Å; R13-D57 PolarHBondContact NH2-O 2.89Å; R13-D57 VanDerWaalsContact NH2-O 3.16Å; R13-Q59 VanDerWaalsContact NH2-OE1 3.15Å; R13-T95 PolarHBondContact NH1-OG1 2.81Å; R13-A313 PolarHBondContact N-O 2.99Å; R13-C314 WeakPolarHBondContact O-CA 3.4Å; R13-V315 PolarHBondContact O-N 2.77Å
14	V	95.1	Very high	85.9	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.8	171.2	-165.8	0	0	0	0	108.3	V12 L30 Y32 F53 E55 V315 P317	V12-V14 HydrophobicContact CG1-CG2 4.44Å; V14-L30 HydrophobicContact CB-CD1 4.38Å; V14-L30 HydrophobicContact CG1-CD1 3.68Å; V14-L30 HydrophobicContact CG2-CD1 3.74Å; V14-Y32 WeakPolarHBondContact CB-OH 3.29Å; V14-Y32 HydrophobicContact CG2-CE1 4.1Å; V14-Y32 WeakPolarHBondContact CG2-OH 3.45Å; V14-F53 PolarHBondContact N-O 3.4Å; V14-E55 HydrophobicContact CB-CG 4.45Å; V14-E55 HydrophobicContact CG1-CG 3.98Å; V14-E55 WeakPolarHBondContact CG1-OE1 3.4Å; V14-V315 HydrophobicContact CB-CG2 4.24Å; V14-V315 HydrophobicContact CG1-CG2 4.36Å; V14-V315 HydrophobicContact CG2-CG2 3.75Å; V14-P317 HydrophobicContact CG1-CB 3.78Å; V14-P317 HydrophobicContact CG1-CG 3.98Å
15	R	93.8	Very high	87.4	Confident	43 Å²	43	48.3 Å²	48.3	16%	0.162	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-88.9	157.5	171.5	63.3	146.8	177.3	73.7	-3.3	110.9	E21 G89 V315 S316 P317	R15-E21 IonicContact CZ-OE1 2.66Å; R15-E21 IonicContact CZ-OE2 3.66Å; R15-E21 IonicContact NH1-OE1 3.92Å; R15-E21 IonicContact NH1-OE2 2.6Å; R15-E21 PolarHBondContact NH1-OE2 3.01Å; R15-E21 VanDerWaalsContact NH2-CD 3.25Å; R15-E21 IonicContact NH2-OE1 2.65Å; R15-E21 PolarHBondContact NH2-OE1 3.41Å; R15-E21 IonicContact NH2-OE2 3.98Å; R15-E21 PolarHBondContact NH2-OE2 2.84Å; R15-E21 VanDerWaalsContact NH2-OE2 3.11Å; R15-G89 PolarHBondContact NE-O 2.69Å; R15-V315 PolarHBondContact N-O 2.9Å; R15-S316 PolarHBondContact NH1-OG 3.46Å; R15-S316 PolarHBondContact NH2-OG 2.92Å; R15-P317 WeakPolarHBondContact O-CD 3.49Å; R15-P317 VanDerWaalsContact O-CG 3.23Å; R15-P317 WeakPolarHBondContact O-CG 3.27Å
16	P	91.5	Very high	88.4	Confident	77 Å²	77	45.5 Å²	45.5	50%	0.5	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-52.2	155.1	163.7	-25.2	34.1	0	0	0	112.4	E55	P16-E55 HydrophobicContact CG-CB 4.28Å; P16-E55 WeakPolarHBondContact CG-O 3.5Å
17	L	89.3	Confident	89	Confident	50 Å²	50	45.9 Å²	45.9	26%	0.262	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-56.2	139.2	167.5	-68.8	168	0	0	0	109.9	E21 V22 P317 A318	L17-E21 WeakPolarHBondContact CA-OE2 3.48Å; L17-E21 HydrophobicContact CB-CB 4.47Å; L17-E21 HydrophobicContact CD2-CB 4.14Å; L17-V22 HydrophobicContact CB-CG2 3.75Å; L17-V22 HydrophobicContact CD1-CG2 4.33Å; L17-P317 HydrophobicContact CD2-CG 3.88Å; L17-P317 HydrophobicContact CG-CG 4.09Å; L17-A318 HydrophobicContact CD2-CB 3.66Å
18	S	87.5	Confident	89.2	Confident	36 Å²	36	48.1 Å²	48.1	25%	0.252	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-75.2	158.2	173.4	62.8	0	0	0	0	111	S20 E21 V22	S18-S20 PolarHBondContact O-N 3.28Å; S18-S20 VanDerWaalsContact O-N 3.17Å; S18-S20 PolarHBondContact OG-OG 3.48Å; S18-E21 PolarHBondContact N-OE2 3.49Å; S18-E21 PolarHBondContact O-N 2.88Å; S18-E21 WeakPolarHBondContact OG-CG 3.3Å; S18-E21 PolarHBondContact OG-N 2.79Å; S18-E21 PolarHBondContact OG-OE2 3.35Å; S18-V22 WeakPolarHBondContact O-CG2 3.24Å; S18-V22 PolarHBondContact O-N 2.78Å
19	S	82.7	Confident	89.1	Confident	97 Å²	97	48.9 Å²	48.9	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-55.5	-32.4	174.2	49.9	0	0	0	0	112.8	N23	S19-N23 VanDerWaalsContact O-CB 3.32Å; S19-N23 WeakPolarHBondContact O-CB 3.35Å; S19-N23 PolarHBondContact O-N 3.13Å; S19-N23 PolarHBondContact O-ND2 2.94Å; S19-N23 PolarHBondContact O-OD1 3.33Å
20	S	82	Confident	88.9	Confident	62 Å²	62	46.4 Å²	46.4	43%	0.434	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-52.3	170.6	62.9	0	0	0	0	112.2	S18 V22 N23 D24	S18-S20 PolarHBondContact O-N 3.28Å; S18-S20 VanDerWaalsContact O-N 3.17Å; S18-S20 PolarHBondContact OG-OG 3.48Å; S20-V22 VanDerWaalsContact C-N 3.27Å; S20-V22 PolarHBondContact O-N 3.01Å; S20-N23 PolarHBondContact O-N 3.12Å; S20-N23 VanDerWaalsContact O-N 3.09Å; S20-D24 WeakPolarHBondContact O-CB 3.24Å; S20-D24 PolarHBondContact O-N 3.1Å; S20-D24 VanDerWaalsContact O-OD2 3.13Å
21	E	88.1	Confident	88.6	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-36.3	-179.4	-71.7	166.4	158.1	0	0	111.8	R15 L17 S18 G25 S26 S316 A318 N321	R15-E21 IonicContact CZ-OE1 2.66Å; R15-E21 IonicContact CZ-OE2 3.66Å; R15-E21 IonicContact NH1-OE1 3.92Å; R15-E21 IonicContact NH1-OE2 2.6Å; R15-E21 PolarHBondContact NH1-OE2 3.01Å; R15-E21 VanDerWaalsContact NH2-CD 3.25Å; R15-E21 IonicContact NH2-OE1 2.65Å; R15-E21 PolarHBondContact NH2-OE1 3.41Å; R15-E21 IonicContact NH2-OE2 3.98Å; R15-E21 PolarHBondContact NH2-OE2 2.84Å; R15-E21 VanDerWaalsContact NH2-OE2 3.11Å; L17-E21 WeakPolarHBondContact CA-OE2 3.48Å; L17-E21 HydrophobicContact CB-CB 4.47Å; L17-E21 HydrophobicContact CD2-CB 4.14Å; S18-E21 PolarHBondContact N-OE2 3.49Å; S18-E21 PolarHBondContact O-N 2.88Å; S18-E21 WeakPolarHBondContact OG-CG 3.3Å; S18-E21 PolarHBondContact OG-N 2.79Å; S18-E21 PolarHBondContact OG-OE2 3.35Å; E21-G25 PolarHBondContact O-N 3.2Å; E21-S26 WeakPolarHBondContact O-CB 3.05Å; E21-S26 PolarHBondContact O-N 3.36Å; E21-S26 PolarHBondContact O-OG 3.47Å; E21-S316 PolarHBondContact OE1-OG 2.8Å; E21-A318 HydrophobicContact CB-CB 4.27Å; E21-A318 VanDerWaalsContact CD-CB 3.45Å; E21-A318 HydrophobicContact CG-CB 3.88Å; E21-A318 WeakPolarHBondContact OE1-CB 3.46Å; E21-N321 PolarHBondContact OE1-ND2 2.83Å
22	V	84.6	Confident	88.2	Confident	86 Å²	86	51.3 Å²	51.3	52%	0.521	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-44.9	173.6	175.4	0	0	0	0	111.6	L17 S18 S20 D24 G25	L17-V22 HydrophobicContact CB-CG2 3.75Å; L17-V22 HydrophobicContact CD1-CG2 4.33Å; S18-V22 WeakPolarHBondContact O-CG2 3.24Å; S18-V22 PolarHBondContact O-N 2.78Å; S20-V22 VanDerWaalsContact C-N 3.27Å; S20-V22 PolarHBondContact O-N 3.01Å; V22-D24 VanDerWaalsContact C-N 3.33Å; V22-D24 PolarHBondContact O-N 2.67Å; V22-G25 PolarHBondContact O-N 3.44Å; V22-G25 VanDerWaalsContact O-N 3.12Å
23	N	81.9	Confident	87.6	Confident	131 Å²	131	54.9 Å²	54.9	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	-66.7	-33.4	177.1	-72.2	-10.9	0	0	0	112.7	S19 S20 G25	S19-N23 VanDerWaalsContact O-CB 3.32Å; S19-N23 WeakPolarHBondContact O-CB 3.35Å; S19-N23 PolarHBondContact O-N 3.13Å; S19-N23 PolarHBondContact O-ND2 2.94Å; S19-N23 PolarHBondContact O-OD1 3.33Å; S20-N23 PolarHBondContact O-N 3.12Å; S20-N23 VanDerWaalsContact O-N 3.09Å; N23-G25 PolarHBondContact O-N 2.85Å
24	D	84.7	Confident	86.1	Confident	118 Å²	118	60.8 Å²	60.8	63%	0.631	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.2	174.1	-64.9	-32.1	0	0	0	112.4	S20 V22	S20-D24 WeakPolarHBondContact O-CB 3.24Å; S20-D24 PolarHBondContact O-N 3.1Å; S20-D24 VanDerWaalsContact O-OD2 3.13Å; V22-D24 VanDerWaalsContact C-N 3.33Å; V22-D24 PolarHBondContact O-N 2.67Å
25	G	82.1	Confident	84.7	Confident	64 Å²	64	69.7 Å²	69.7	66%	0.66	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	21.1	-179	0	0	0	0	0	114.5	E21 V22 N23	E21-G25 PolarHBondContact O-N 3.2Å; V22-G25 PolarHBondContact O-N 3.44Å; V22-G25 VanDerWaalsContact O-N 3.12Å; N23-G25 PolarHBondContact O-N 2.85Å
26	S	84.8	Confident	83.4	Confident	15 Å²	15	73.6 Å²	73.6	11%	0.105	43%	0.432	C	S	.	.			trans	-64.9	133.1	-176.7	-50.2	0	0	0	0	111.6	E21 D319	E21-S26 WeakPolarHBondContact O-CB 3.05Å; E21-S26 PolarHBondContact O-N 3.36Å; E21-S26 PolarHBondContact O-OG 3.47Å; S26-D319 WeakPolarHBondContact CA-OD1 3.45Å; S26-D319 WeakPolarHBondContact CB-OD1 3.38Å
27	S	87.9	Confident	83.2	Confident	68 Å²	68	72.7 Å²	72.7	48%	0.476	42%	0.422	S	S	.	.			trans	-90.9	156	175.3	74.2	0	0	0	0	112.5	C29 D319	S27-C29 PolarHBondContact O-N 2.77Å; S27-D319 WeakPolarHBondContact CA-OD2 3.44Å; S27-D319 WeakPolarHBondContact CB-OD2 3.43Å; S27-D319 VanDerWaalsContact N-CG 3.3Å; S27-D319 PolarHBondContact N-OD1 3.15Å; S27-D319 PolarHBondContact N-OD2 3.19Å; S27-D319 PolarHBondContact O-N 2.99Å; S27-D319 PolarHBondContact OG-OD2 3.14Å
28	T	89.3	Confident	83.2	Confident	72 Å²	72	72 Å²	72	44%	0.442	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-76.9	115.2	174.3	-69.7	0	0	0	0	110.5	L30 P317	T28-L30 VanDerWaalsContact CG2-O 3.3Å; T28-L30 WeakPolarHBondContact CG2-O 3.27Å; T28-P317 CarbonylContact C-O 3.53Å; T28-P317 WeakPolarHBondContact CA-O 3.31Å; T28-P317 HydrophobicContact CG2-CB 3.94Å
29	C	90.2	Very high	83.3	Confident	16 Å²	16	70.3 Å²	70.3	11%	0.108	41%	0.406	C	S	.	.			trans	-92	4.6	179.6	72.8	0	0	0	0	114.6	S27 I41 G42 P317 D319 M322	S27-C29 PolarHBondContact O-N 2.77Å; C29-I41 WeakPolarHBondContact O-CA 3.24Å; C29-G42 PolarHBondContact O-N 3.36Å; C29-P317 PolarHBondContact N-O 2.92Å; C29-P317 PolarHBondContact SG-O 2.81Å; C29-D319 HydrophobicContact CB-CB 4.26Å; C29-M322 HydrophobicContact CB-CB 4.39Å; C29-M322 HydrophobicContact CB-CG 4.18Å
30	L	90.7	Very high	83.6	Confident	11 Å²	11	67.6 Å²	67.6	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142	179.1	-66.2	176.3	0	0	0	111.2	V14 T28 L39 I40 I41 V315 P317 T325 L329	V14-L30 HydrophobicContact CB-CD1 4.38Å; V14-L30 HydrophobicContact CG1-CD1 3.68Å; V14-L30 HydrophobicContact CG2-CD1 3.74Å; T28-L30 VanDerWaalsContact CG2-O 3.3Å; T28-L30 WeakPolarHBondContact CG2-O 3.27Å; L30-L39 HydrophobicContact CD2-CD1 4.32Å; L30-I40 WeakPolarHBondContact CA-O 3.31Å; L30-I41 HydrophobicContact CD2-CB 3.72Å; L30-I41 HydrophobicContact CD2-CD1 4.25Å; L30-I41 HydrophobicContact CD2-CG1 3.78Å; L30-V315 HydrophobicContact CD1-CG2 4.07Å; L30-P317 HydrophobicContact CD1-CB 4.39Å; L30-T325 HydrophobicContact CD1-CG2 4.18Å; L30-T325 HydrophobicContact CD2-CG2 4.04Å; L30-T325 HydrophobicContact CG-CG2 4.45Å; L30-L329 HydrophobicContact CD2-CD1 4.43Å
31	S	88.2	Confident	83.9	Confident	57 Å²	57	64.6 Å²	64.6	40%	0.399	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.9	169.7	59.2	0	0	0	0	110.7	L39 I40	S31-L39 CarbonylContact O-C 3.6Å; S31-L39 VanDerWaalsContact O-CA 3.29Å; S31-L39 WeakPolarHBondContact O-CA 3.26Å; S31-I40 PolarHBondContact N-O 3.08Å; S31-I40 PolarHBondContact O-N 2.88Å
32	Y	86.6	Confident	83.8	Confident	46 Å²	46	65.3 Å²	65.3	18%	0.18	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.2	-169.2	-52.6	-76.4	0	0	0	111	V14 L39 V52 K54 E55	V14-Y32 WeakPolarHBondContact CB-OH 3.29Å; V14-Y32 HydrophobicContact CG2-CE1 4.1Å; V14-Y32 WeakPolarHBondContact CG2-OH 3.45Å; Y32-L39 HydrophobicContact CD1-CB 4.3Å; Y32-V52 HydrophobicContact CD1-CG1 3.96Å; Y32-V52 HydrophobicContact CE1-CG1 3.99Å; Y32-K54 HydrophobicContact CD1-CG 4.11Å; Y32-K54 HydrophobicContact CD2-CD 4.01Å; Y32-K54 HydrophobicContact CD2-CG 4.14Å; Y32-K54 HydrophobicContact CE1-CG 4.01Å; Y32-K54 HydrophobicContact CE2-CB 4.4Å; Y32-K54 HydrophobicContact CE2-CD 4.29Å; Y32-K54 HydrophobicContact CE2-CG 4.05Å; Y32-K54 HydrophobicContact CG-CD 4.16Å; Y32-K54 HydrophobicContact CG-CG 4.18Å; Y32-E55 WeakPolarHBondContact CE2-OE2 3.39Å; Y32-E55 PolarHBondContact OH-OE1 3.25Å; Y32-E55 PolarHBondContact OH-OE2 2.73Å
33	L	82.4	Confident	83.5	Confident	74 Å²	74	69.2 Å²	69.2	39%	0.387	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.5	161.8	-107.9	66	0	0	0	108.6	E35 Q38 I40	L33-E35 VanDerWaalsContact C-N 3.28Å; L33-E35 PolarHBondContact O-N 2.79Å; L33-Q38 HydrophobicContact CB-CB 4.03Å; L33-Q38 PolarHBondContact N-O 3.44Å; L33-Q38 VanDerWaalsContact N-O 3.09Å; L33-I40 HydrophobicContact CD1-CD1 3.79Å
34	N	65.6	Low	83.5	Confident	144 Å²	144	68.2 Å²	68.2	77%	0.77	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.6	-163.3	-78.4	-23.4	0	0	0	115
35	E	65.3	Low	83.7	Confident	188 Å²	188	65.7 Å²	65.7	88%	0.879	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-21.6	-167.1	-59.9	-174.1	165.9	0	0	115.4	L33	L33-E35 VanDerWaalsContact C-N 3.28Å; L33-E35 PolarHBondContact O-N 2.79Å
36	E	67.2	Low	84	Confident	126 Å²	126	67 Å²	67	59%	0.589	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	18.5	-163.8	-57.8	-158.7	144.5	0	0	116.7	Q38	E36-Q38 HydrophobicContact CB-CB 4.41Å; E36-Q38 HydrophobicContact CB-CG 4.1Å; E36-Q38 PolarHBondContact O-N 2.86Å; E36-Q38 PolarHBondContact OE2-NE2 3.37Å
37	N	86.2	Confident	84.4	Confident	57 Å²	57	67.6 Å²	67.6	31%	0.305	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	43.7	-168.8	-70.7	-47.5	0	0	0	112.2	F49 D50 V52	N37-F49 WeakPolarHBondContact CB-O 3.37Å; N37-F49 PolarHBondContact O-N 3.04Å; N37-D50 PolarHBondContact ND2-O 3.49Å; N37-D50 VanDerWaalsContact ND2-O 3.15Å; N37-V52 HydrophobicContact CB-CG2 4.35Å; N37-V52 WeakPolarHBondContact O-CG2 3.36Å
38	Q	88.7	Confident	84.5	Confident	36 Å²	36	65.3 Å²	65.3	17%	0.168	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.7	-176.3	-82.5	171.5	35.6	0	0	111.9	L33 E36 L46 F47	L33-Q38 HydrophobicContact CB-CB 4.03Å; L33-Q38 PolarHBondContact N-O 3.44Å; L33-Q38 VanDerWaalsContact N-O 3.09Å; E36-Q38 HydrophobicContact CB-CB 4.41Å; E36-Q38 HydrophobicContact CB-CG 4.1Å; E36-Q38 PolarHBondContact O-N 2.86Å; E36-Q38 PolarHBondContact OE2-NE2 3.37Å; Q38-L46 HydrophobicContact CB-CD1 4.06Å; Q38-L46 HydrophobicContact CG-CD1 4.37Å; Q38-F47 WeakPolarHBondContact CA-O 3.46Å
39	L	90.2	Very high	84.7	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.5	175.8	63.2	90.3	0	0	0	110.5	V12 L30 S31 Y32 F47 F49 V52 L329	V12-L39 HydrophobicContact CB-CD2 4.03Å; V12-L39 HydrophobicContact CG1-CD2 3.76Å; V12-L39 HydrophobicContact CG2-CD2 4.17Å; L30-L39 HydrophobicContact CD2-CD1 4.32Å; S31-L39 CarbonylContact O-C 3.6Å; S31-L39 VanDerWaalsContact O-CA 3.29Å; S31-L39 WeakPolarHBondContact O-CA 3.26Å; Y32-L39 HydrophobicContact CD1-CB 4.3Å; L39-F47 HydrophobicContact CD1-CB 4.16Å; L39-F47 HydrophobicContact CD1-CD2 4.25Å; L39-F47 HydrophobicContact CG-CB 4.44Å; L39-F47 PolarHBondContact N-O 2.87Å; L39-F47 PolarHBondContact O-N 3.43Å; L39-F49 HydrophobicContact CD1-CE2 4.47Å; L39-F49 HydrophobicContact CD2-CD2 3.98Å; L39-F49 HydrophobicContact CD2-CE2 3.84Å; L39-F49 HydrophobicContact CG-CD2 4.44Å; L39-F49 HydrophobicContact CG-CE2 4.14Å; L39-V52 HydrophobicContact CD2-CG1 4.13Å; L39-V52 HydrophobicContact CD2-CG2 4.04Å; L39-L329 HydrophobicContact CD1-CD1 3.58Å; L39-L329 HydrophobicContact CD1-CD2 3.78Å; L39-L329 HydrophobicContact CD1-CG 4.31Å; L39-L329 HydrophobicContact CD2-CD2 3.87Å; L39-L329 HydrophobicContact CG-CD2 4.44Å
40	I	88.5	Confident	84.9	Confident	39 Å²	39	63.7 Å²	63.7	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131	172.9	-60.2	168.7	0	0	0	107.3	L30 S31 L33 K45 L46	L30-I40 WeakPolarHBondContact CA-O 3.31Å; S31-I40 PolarHBondContact N-O 3.08Å; S31-I40 PolarHBondContact O-N 2.88Å; L33-I40 HydrophobicContact CD1-CD1 3.79Å; I40-K45 WeakPolarHBondContact CA-O 3.35Å; I40-L46 HydrophobicContact CD1-CD1 4.2Å; I40-L46 HydrophobicContact CG1-CB 4.35Å; I40-L46 HydrophobicContact CG1-CD1 3.5Å; I40-L46 VanDerWaalsContact CG1-CD1 3.5Å
41	I	89.5	Confident	85	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.4	171	-171.1	-178.7	0	0	0	110.7	C29 L30 K45 F47 M322 T325 L326 L329	C29-I41 WeakPolarHBondContact O-CA 3.24Å; L30-I41 HydrophobicContact CD2-CB 3.72Å; L30-I41 HydrophobicContact CD2-CD1 4.25Å; L30-I41 HydrophobicContact CD2-CG1 3.78Å; I41-K45 HydrophobicContact CG2-CB 3.64Å; I41-K45 HydrophobicContact CG2-CD 4.39Å; I41-K45 PolarHBondContact N-O 3.07Å; I41-F47 HydrophobicContact CG2-CD2 4.27Å; I41-F47 HydrophobicContact CG2-CE2 3.81Å; I41-M322 HydrophobicContact CD1-CG 3.72Å; I41-M322 WeakPolarHBondContact CD1-O 2.79Å; I41-M322 HydrophobicContact CG1-CE 3.94Å; I41-M322 HydrophobicContact CG1-CG 3.94Å; I41-T325 HydrophobicContact CD1-CG2 3.81Å; I41-L326 HydrophobicContact CD1-CB 3.96Å; I41-L326 HydrophobicContact CG2-CD1 3.92Å; I41-L329 HydrophobicContact CB-CD1 4.27Å; I41-L329 HydrophobicContact CD1-CD1 4.21Å; I41-L329 HydrophobicContact CG2-CD1 4.18Å
42	G	85.2	Confident	85.3	Confident	23 Å²	23	62.5 Å²	62.5	24%	0.237	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	-133.6	-167.4	0	0	0	0	0	111.3	C29	C29-G42 PolarHBondContact O-N 3.36Å
43	N	78.2	Confident	85.6	Confident	167 Å²	167	60.3 Å²	60.3	89%	0.893	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-16.2	-170.1	-60.3	-0.7	0	0	0	114.1
44	D	81.4	Confident	86	Confident	110 Å²	110	60 Å²	60	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	-18.8	-160.4	65.1	-43.2	0	0	0	115.4	L46	D44-L46 PolarHBondContact O-N 3.22Å
45	K	88.7	Confident	87.2	Confident	65 Å²	65	55.6 Å²	55.6	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	86.6	-168	-68	161.5	-166.7	79.9	0	111.5	I40 I41 F47 L326	I40-K45 WeakPolarHBondContact CA-O 3.35Å; I41-K45 HydrophobicContact CG2-CB 3.64Å; I41-K45 HydrophobicContact CG2-CD 4.39Å; I41-K45 PolarHBondContact N-O 3.07Å; K45-F47 HydrophobicContact CB-CE2 4.03Å; K45-L326 HydrophobicContact CD-CD1 3.97Å; K45-L326 HydrophobicContact CD-CD2 4.25Å
46	L	90.2	Very high	88.3	Confident	93 Å²	93	52.3 Å²	52.3	49%	0.487	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.8	170.8	-174.4	68.6	0	0	0	111.2	Q38 I40 D44	Q38-L46 HydrophobicContact CB-CD1 4.06Å; Q38-L46 HydrophobicContact CG-CD1 4.37Å; I40-L46 HydrophobicContact CD1-CD1 4.2Å; I40-L46 HydrophobicContact CG1-CB 4.35Å; I40-L46 HydrophobicContact CG1-CD1 3.5Å; I40-L46 VanDerWaalsContact CG1-CD1 3.5Å; D44-L46 PolarHBondContact O-N 3.22Å
47	F	92.2	Very high	89.5	Confident	27 Å²	27	48 Å²	48	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.8	168.1	-64	-93.7	0	0	0	109.4	Q38 L39 I41 K45 F49 L326 L329 R330 D333	Q38-F47 WeakPolarHBondContact CA-O 3.46Å; L39-F47 HydrophobicContact CD1-CB 4.16Å; L39-F47 HydrophobicContact CD1-CD2 4.25Å; L39-F47 HydrophobicContact CG-CB 4.44Å; L39-F47 PolarHBondContact N-O 2.87Å; L39-F47 PolarHBondContact O-N 3.43Å; I41-F47 HydrophobicContact CG2-CD2 4.27Å; I41-F47 HydrophobicContact CG2-CE2 3.81Å; K45-F47 HydrophobicContact CB-CE2 4.03Å; F47-F49 HydrophobicContact CB-CD2 4.34Å; F47-F49 HydrophobicContact CB-CE2 3.39Å; F47-F49 HydrophobicContact CB-CZ 3.73Å; F47-F49 HydrophobicContact CD1-CZ 4.28Å; F47-F49 HydrophobicContact CG-CE2 4.31Å; F47-F49 HydrophobicContact CG-CZ 4.27Å; F47-L326 HydrophobicContact CE2-CD1 3.85Å; F47-L326 HydrophobicContact CZ-CD1 3.81Å; F47-L329 HydrophobicContact CD1-CB 4.38Å; F47-L329 HydrophobicContact CD2-CB 4.24Å; F47-L329 HydrophobicContact CD2-CD1 4.18Å; F47-L329 HydrophobicContact CE1-CB 4.28Å; F47-L329 HydrophobicContact CE2-CB 4.14Å; F47-L329 HydrophobicContact CE2-CD1 4.27Å; F47-L329 HydrophobicContact CG-CB 4.36Å; F47-L329 HydrophobicContact CZ-CB 4.16Å; F47-R330 HydrophobicContact CE1-CG 4.02Å; F47-R330 HydrophobicContact CZ-CG 3.88Å; F47-D333 HydrophobicContact CD1-CB 4.31Å
48	G	90.5	Very high	89.8	Confident	20 Å²	20	48.2 Å²	48.2	21%	0.206	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.5	174.4	0	0	0	0	0	111	R336	G48-R336 PolarHBondContact O-NH1 3.07Å; G48-R336 PolarHBondContact O-NH2 3.5Å
49	F	93.9	Very high	90	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.035	26%	0.257	C	S	.	.			trans	-133.8	171.3	-174.3	-61.5	-79.9	0	0	0	111.2	V10 V12 N37 L39 F47 Y51 V52 L329 A332 D333	V10-F49 HydrophobicContact CB-CD1 4.28Å; V10-F49 HydrophobicContact CG1-CD1 3.59Å; V10-F49 HydrophobicContact CG1-CE1 4.11Å; V12-F49 HydrophobicContact CB-CD2 4.36Å; V12-F49 HydrophobicContact CG2-CB 4.4Å; V12-F49 HydrophobicContact CG2-CD1 3.97Å; V12-F49 HydrophobicContact CG2-CD2 3.43Å; V12-F49 VanDerWaalsContact CG2-CD2 3.43Å; V12-F49 HydrophobicContact CG2-CE1 4.05Å; V12-F49 HydrophobicContact CG2-CE2 3.53Å; V12-F49 HydrophobicContact CG2-CG 3.66Å; V12-F49 HydrophobicContact CG2-CZ 3.84Å; N37-F49 WeakPolarHBondContact CB-O 3.37Å; N37-F49 PolarHBondContact O-N 3.04Å; L39-F49 HydrophobicContact CD1-CE2 4.47Å; L39-F49 HydrophobicContact CD2-CD2 3.98Å; L39-F49 HydrophobicContact CD2-CE2 3.84Å; L39-F49 HydrophobicContact CG-CD2 4.44Å; L39-F49 HydrophobicContact CG-CE2 4.14Å; F47-F49 HydrophobicContact CB-CD2 4.34Å; F47-F49 HydrophobicContact CB-CE2 3.39Å; F47-F49 HydrophobicContact CB-CZ 3.73Å; F47-F49 HydrophobicContact CD1-CZ 4.28Å; F47-F49 HydrophobicContact CG-CE2 4.31Å; F47-F49 HydrophobicContact CG-CZ 4.27Å; F49-Y51 VanDerWaalsContact C-N 3.28Å; F49-V52 HydrophobicContact CB-CG2 4.16Å; F49-V52 HydrophobicContact CD2-CG2 4.1Å; F49-L329 HydrophobicContact CE2-CD2 3.76Å; F49-L329 HydrophobicContact CZ-CB 4.4Å; F49-L329 HydrophobicContact CZ-CD2 3.84Å; F49-A332 HydrophobicContact CD1-CB 4.46Å; F49-A332 HydrophobicContact CE1-CB 3.69Å; F49-A332 HydrophobicContact CZ-CB 4.29Å; F49-D333 HydrophobicContact CE1-CB 4.13Å; F49-D333 HydrophobicContact CZ-CB 4.5Å
50	D	92.8	Very high	90.1	Very high	46 Å²	46	50.6 Å²	50.6	25%	0.246	28%	0.275	C	S	.	.	S	Bend	trans	-73.4	-29.5	-179.2	-44.3	-55.2	0	0	0	110.8	K9 V10 N37 R336	K9-D50 WeakPolarHBondContact CA-OD2 3.45Å; V10-D50 PolarHBondContact N-OD2 2.95Å; V10-D50 PolarHBondContact O-N 3.26Å; V10-D50 VanDerWaalsContact O-N 3.15Å; N37-D50 PolarHBondContact ND2-O 3.49Å; N37-D50 VanDerWaalsContact ND2-O 3.15Å; D50-R336 WeakPolarHBondContact OD1-CD 3.27Å; D50-R336 WeakPolarHBondContact OD2-CD 3.3Å
51	Y	93.4	Very high	90.3	Very high	30 Å²	30	52.6 Å²	52.6	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.6	168.4	-44.6	-81.9	0	0	0	110.3	K9 V10 G11 V12 F49 F53 K65 A66 L310	K9-Y51 HydrophobicContact CD-CE2 4.45Å; V10-Y51 PolarHBondContact O-N 3.25Å; G11-Y51 CarbonylContact C-O 3.47Å; G11-Y51 VanDerWaalsContact CA-O 3.31Å; G11-Y51 WeakPolarHBondContact CA-O 3.27Å; V12-Y51 PolarHBondContact N-O 3.07Å; F49-Y51 VanDerWaalsContact C-N 3.28Å; Y51-F53 HydrophobicContact CG-CE2 4.33Å; Y51-F53 HydrophobicContact CG-CZ 4.35Å; Y51-K65 HydrophobicContact CD1-CD 4.02Å; Y51-K65 HydrophobicContact CD1-CG 3.82Å; Y51-K65 HydrophobicContact CE1-CG 4.08Å; Y51-K65 VanDerWaalsContact CE1-O 3.27Å; Y51-K65 WeakPolarHBondContact CE1-O 3.32Å; Y51-A66 HydrophobicContact CD2-CB 4.01Å; Y51-A66 HydrophobicContact CE2-CB 4.11Å; Y51-A66 HydrophobicContact CG-CB 4.26Å; Y51-L310 HydrophobicContact CE2-CD1 4.4Å
52	V	94.1	Very high	90.6	Very high	12 Å²	12	52.7 Å²	52.7	7%	0.073	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.9	162	176.4	0	0	0	0	108	Y32 N37 L39 F49	Y32-V52 HydrophobicContact CD1-CG1 3.96Å; Y32-V52 HydrophobicContact CE1-CG1 3.99Å; N37-V52 HydrophobicContact CB-CG2 4.35Å; N37-V52 WeakPolarHBondContact O-CG2 3.36Å; L39-V52 HydrophobicContact CD2-CG1 4.13Å; L39-V52 HydrophobicContact CD2-CG2 4.04Å; F49-V52 HydrophobicContact CB-CG2 4.16Å; F49-V52 HydrophobicContact CD2-CG2 4.1Å
53	F	94.4	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.7	178.2	-60.2	-75.7	0	0	0	109.8	V12 R13 V14 Y51 D57 Y61 V62 K65 A66	V12-F53 WeakPolarHBondContact O-CD2 3.42Å; V12-F53 PolarHBondContact O-N 2.81Å; R13-F53 HydrophobicContact CB-CB 4.24Å; R13-F53 HydrophobicContact CG-CB 4.03Å; V14-F53 PolarHBondContact N-O 3.4Å; Y51-F53 HydrophobicContact CG-CE2 4.33Å; Y51-F53 HydrophobicContact CG-CZ 4.35Å; F53-D57 WeakPolarHBondContact CA-OD2 3.12Å; F53-D57 HydrophobicContact CB-CB 4.24Å; F53-D57 HydrophobicContact CD1-CB 4.41Å; F53-Y61 AromaticContact CD1-CD1 3.85Å; F53-Y61 HydrophobicContact CD1-CD1 3.85Å; F53-Y61 AromaticContact CD1-CE1 3.81Å; F53-Y61 HydrophobicContact CD1-CE1 3.81Å; F53-Y61 AromaticContact CE1-CD1 3.88Å; F53-Y61 HydrophobicContact CE1-CD1 3.88Å; F53-Y61 AromaticContact CE1-CE1 3.81Å; F53-Y61 HydrophobicContact CE1-CE1 3.81Å; F53-V62 HydrophobicContact CB-CG2 4.14Å; F53-V62 HydrophobicContact CD1-CB 4.37Å; F53-V62 HydrophobicContact CD1-CG2 3.68Å; F53-V62 HydrophobicContact CD2-CG1 4.25Å; F53-V62 HydrophobicContact CD2-CG2 4.33Å; F53-V62 HydrophobicContact CE1-CB 4.25Å; F53-V62 HydrophobicContact CE1-CG1 4.49Å; F53-V62 HydrophobicContact CE1-CG2 4.05Å; F53-V62 HydrophobicContact CE2-CG1 4.07Å; F53-V62 HydrophobicContact CG-CG2 3.81Å; F53-V62 HydrophobicContact CZ-CB 4.41Å; F53-V62 HydrophobicContact CZ-CG1 4.18Å; F53-K65 HydrophobicContact CD1-CD 4.41Å; F53-K65 HydrophobicContact CE1-CB 3.85Å; F53-K65 HydrophobicContact CE1-CD 3.48Å; F53-K65 VanDerWaalsContact CE1-CD 3.48Å; F53-K65 HydrophobicContact CE1-CG 4.22Å; F53-K65 HydrophobicContact CZ-CB 3.95Å; F53-K65 HydrophobicContact CZ-CD 3.88Å; F53-K65 HydrophobicContact CZ-CG 4.29Å; F53-A66 HydrophobicContact CE2-CB 4.07Å; F53-A66 HydrophobicContact CZ-CB 3.88Å
54	K	91.1	Very high	91.7	Very high	68 Å²	68	50.4 Å²	50.4	30%	0.296	25%	0.253	S	S	.	.			trans	-84.1	171.1	-176.4	-58.5	-176	-177.7	179.7	0	111.1	Y32 T56 D57	Y32-K54 HydrophobicContact CD1-CG 4.11Å; Y32-K54 HydrophobicContact CD2-CD 4.01Å; Y32-K54 HydrophobicContact CD2-CG 4.14Å; Y32-K54 HydrophobicContact CE1-CG 4.01Å; Y32-K54 HydrophobicContact CE2-CB 4.4Å; Y32-K54 HydrophobicContact CE2-CD 4.29Å; Y32-K54 HydrophobicContact CE2-CG 4.05Å; Y32-K54 HydrophobicContact CG-CD 4.16Å; Y32-K54 HydrophobicContact CG-CG 4.18Å; K54-T56 PolarHBondContact O-N 3.4Å; K54-T56 VanDerWaalsContact O-N 3.11Å; K54-D57 PolarHBondContact N-OD2 3.44Å; K54-D57 WeakPolarHBondContact O-CB 3.11Å; K54-D57 PolarHBondContact O-N 3.41Å
55	E	90.2	Very high	92.2	Very high	52 Å²	52	48 Å²	48	24%	0.243	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.7	177.4	-56	82.6	177.9	0	0	112.6	V14 P16 Y32 P317	V14-E55 HydrophobicContact CB-CG 4.45Å; V14-E55 HydrophobicContact CG1-CG 3.98Å; V14-E55 WeakPolarHBondContact CG1-OE1 3.4Å; P16-E55 HydrophobicContact CG-CB 4.28Å; P16-E55 WeakPolarHBondContact CG-O 3.5Å; Y32-E55 WeakPolarHBondContact CE2-OE2 3.39Å; Y32-E55 PolarHBondContact OH-OE1 3.25Å; Y32-E55 PolarHBondContact OH-OE2 2.73Å; E55-P317 HydrophobicContact CG-CG 4.46Å
56	T	88.9	Confident	92.4	Very high	118 Å²	118	44.9 Å²	44.9	72%	0.724	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.9	178.9	52.4	0	0	0	0	114.7	K54 S58	K54-T56 PolarHBondContact O-N 3.4Å; K54-T56 VanDerWaalsContact O-N 3.11Å; T56-S58 PolarHBondContact O-N 2.79Å
57	D	91.7	Very high	92.5	Very high	35 Å²	35	40.5 Å²	40.5	19%	0.187	20%	0.201	C	C	.	.			trans	-86.2	116.6	-166.7	-68.2	-8.3	0	0	0	112.6	R13 F53 K54 Y61 V62	R13-D57 PolarHBondContact NH2-O 2.89Å; R13-D57 VanDerWaalsContact NH2-O 3.16Å; F53-D57 WeakPolarHBondContact CA-OD2 3.12Å; F53-D57 HydrophobicContact CB-CB 4.24Å; F53-D57 HydrophobicContact CD1-CB 4.41Å; K54-D57 PolarHBondContact N-OD2 3.44Å; K54-D57 WeakPolarHBondContact O-CB 3.11Å; K54-D57 PolarHBondContact O-N 3.41Å; D57-Y61 HydrophobicContact CB-CD1 4.01Å; D57-V62 HydrophobicContact CB-CG2 4.38Å
58	S	92.1	Very high	92.6	Very high	62 Å²	62	41 Å²	41	43%	0.434	20%	0.204	S	C	.	.			trans	-62.9	157.2	-175.7	76.3	0	0	0	0	113.3	T56 E60 Y61 V62	T56-S58 PolarHBondContact O-N 2.79Å; S58-E60 PolarHBondContact O-N 2.83Å; S58-Y61 PolarHBondContact O-N 3.08Å; S58-Y61 VanDerWaalsContact O-N 3.16Å; S58-Y61 PolarHBondContact OG-N 3.06Å; S58-Y61 VanDerWaalsContact OG-N 3.14Å; S58-V62 WeakPolarHBondContact O-CG2 3.35Å; S58-V62 PolarHBondContact O-N 3.38Å
59	Q	92.6	Very high	92.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-52.9	-40.8	174.3	-63	-82.9	62.1	0	0	111.9	R13 Y63 Y94 S108 A109	R13-Q59 VanDerWaalsContact NH2-OE1 3.15Å; Q59-Y63 VanDerWaalsContact O-CB 3.27Å; Q59-Y63 WeakPolarHBondContact O-CB 3.26Å; Q59-Y63 PolarHBondContact O-N 2.88Å; Q59-Y94 VanDerWaalsContact CD-CE1 3.45Å; Q59-Y94 HydrophobicContact CG-CE1 4.16Å; Q59-Y94 PolarHBondContact NE2-O 3.23Å; Q59-S108 PolarHBondContact NE2-O 2.79Å; Q59-A109 VanDerWaalsContact CB-O 3.24Å; Q59-A109 WeakPolarHBondContact CB-O 3.45Å
60	E	92.6	Very high	92.5	Very high	84 Å²	84	42.3 Å²	42.3	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-67.5	-42.8	178.9	-164.3	-132.7	128.8	0	0	112.1	S58 Y63 R64	S58-E60 PolarHBondContact O-N 2.83Å; E60-Y63 PolarHBondContact O-N 3.45Å; E60-R64 WeakPolarHBondContact O-CB 3.43Å; E60-R64 PolarHBondContact O-N 3.38Å; E60-R64 IonicContact OE1-CZ 2.68Å; E60-R64 IonicContact OE1-NH1 2.75Å; E60-R64 PolarHBondContact OE1-NH1 2.91Å
61	Y	93.4	Very high	92.4	Very high	81 Å²	81	40.1 Å²	40.1	32%	0.318	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-42.8	177.1	-179.1	-97.9	0	0	0	112	F53 D57 S58 R64 K65	F53-Y61 AromaticContact CD1-CD1 3.85Å; F53-Y61 HydrophobicContact CD1-CD1 3.85Å; F53-Y61 AromaticContact CD1-CE1 3.81Å; F53-Y61 HydrophobicContact CD1-CE1 3.81Å; F53-Y61 AromaticContact CE1-CD1 3.88Å; F53-Y61 HydrophobicContact CE1-CD1 3.88Å; F53-Y61 AromaticContact CE1-CE1 3.81Å; F53-Y61 HydrophobicContact CE1-CE1 3.81Å; D57-Y61 HydrophobicContact CB-CD1 4.01Å; S58-Y61 PolarHBondContact O-N 3.08Å; S58-Y61 VanDerWaalsContact O-N 3.16Å; S58-Y61 PolarHBondContact OG-N 3.06Å; S58-Y61 VanDerWaalsContact OG-N 3.14Å; Y61-R64 PolarHBondContact O-N 3.16Å; Y61-K65 HydrophobicContact CE1-CD 3.84Å; Y61-K65 VanDerWaalsContact O-CB 3.3Å; Y61-K65 WeakPolarHBondContact O-CB 3.4Å; Y61-K65 PolarHBondContact O-N 3.07Å; Y61-K65 PolarHBondContact OH-NZ 2.72Å; Y61-K65 VanDerWaalsContact OH-NZ 3.08Å
62	V	94.3	Very high	92.3	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-47	175	177	0	0	0	0	110.9	F53 D57 S58 A66 I111	F53-V62 HydrophobicContact CB-CG2 4.14Å; F53-V62 HydrophobicContact CD1-CB 4.37Å; F53-V62 HydrophobicContact CD1-CG2 3.68Å; F53-V62 HydrophobicContact CD2-CG1 4.25Å; F53-V62 HydrophobicContact CD2-CG2 4.33Å; F53-V62 HydrophobicContact CE1-CB 4.25Å; F53-V62 HydrophobicContact CE1-CG1 4.49Å; F53-V62 HydrophobicContact CE1-CG2 4.05Å; F53-V62 HydrophobicContact CE2-CG1 4.07Å; F53-V62 HydrophobicContact CG-CG2 3.81Å; F53-V62 HydrophobicContact CZ-CB 4.41Å; F53-V62 HydrophobicContact CZ-CG1 4.18Å; D57-V62 HydrophobicContact CB-CG2 4.38Å; S58-V62 WeakPolarHBondContact O-CG2 3.35Å; S58-V62 PolarHBondContact O-N 3.38Å; V62-A66 PolarHBondContact O-N 2.74Å; V62-A66 VanDerWaalsContact O-N 3.17Å; V62-I111 HydrophobicContact CG1-CD1 4.16Å
63	Y	94.7	Very high	92.1	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.035	22%	0.216	C	C	.	.	I	π-helix	trans	-57.5	-54.7	175.3	170.5	-107.4	0	0	0	111.7	Q59 E60 K65 A67 L68 I111 R114 I115 D118	Q59-Y63 VanDerWaalsContact O-CB 3.27Å; Q59-Y63 WeakPolarHBondContact O-CB 3.26Å; Q59-Y63 PolarHBondContact O-N 2.88Å; E60-Y63 PolarHBondContact O-N 3.45Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.25Å; Y63-A67 HydrophobicContact CD2-CB 3.68Å; Y63-A67 HydrophobicContact CE2-CB 4.01Å; Y63-A67 WeakPolarHBondContact O-CA 3.42Å; Y63-A67 WeakPolarHBondContact O-CB 3.41Å; Y63-A67 PolarHBondContact O-N 2.69Å; Y63-L68 HydrophobicContact CE1-CB 4.33Å; Y63-L68 PolarHBondContact O-N 2.79Å; Y63-I111 HydrophobicContact CD2-CG2 4.49Å; Y63-R114 HydrophobicContact CD1-CB 3.86Å; Y63-R114 HydrophobicContact CD1-CG 4.39Å; Y63-R114 HydrophobicContact CD2-CB 3.71Å; Y63-R114 HydrophobicContact CE1-CB 3.95Å; Y63-R114 HydrophobicContact CE2-CB 3.85Å; Y63-R114 HydrophobicContact CG-CB 3.76Å; Y63-R114 HydrophobicContact CG-CG 4.36Å; Y63-I115 HydrophobicContact CD2-CG1 4.29Å; Y63-I115 HydrophobicContact CE2-CG1 3.64Å; Y63-D118 WeakPolarHBondContact OH-CB 3.49Å; Y63-D118 PolarHBondContact OH-OD1 2.96Å; Y63-D118 PolarHBondContact OH-OD2 3.07Å
64	R	93.6	Very high	92	Very high	133 Å²	133	43.8 Å²	43.8	50%	0.502	22%	0.216	S	C	.	.	I	π-helix	trans	-64.2	-32.3	-174.8	-166.9	172.4	74.3	-155.2	9.2	113.5	E60 Y61 L68	E60-R64 WeakPolarHBondContact O-CB 3.43Å; E60-R64 PolarHBondContact O-N 3.38Å; E60-R64 IonicContact OE1-CZ 2.68Å; E60-R64 IonicContact OE1-NH1 2.75Å; E60-R64 PolarHBondContact OE1-NH1 2.91Å; Y61-R64 PolarHBondContact O-N 3.16Å; R64-L68 HydrophobicContact CG-CD2 3.87Å
65	K	92.1	Very high	91.9	Very high	60 Å²	60	40.6 Å²	40.6	26%	0.261	20%	0.202	S	C	.	.	I	π-helix	trans	-85.6	-37.7	-177.8	-165.2	-173.2	-169.2	175.3	0	113.5	Y51 F53 Y61 Y63	Y51-K65 HydrophobicContact CD1-CD 4.02Å; Y51-K65 HydrophobicContact CD1-CG 3.82Å; Y51-K65 HydrophobicContact CE1-CG 4.08Å; Y51-K65 VanDerWaalsContact CE1-O 3.27Å; Y51-K65 WeakPolarHBondContact CE1-O 3.32Å; F53-K65 HydrophobicContact CD1-CD 4.41Å; F53-K65 HydrophobicContact CE1-CB 3.85Å; F53-K65 HydrophobicContact CE1-CD 3.48Å; F53-K65 VanDerWaalsContact CE1-CD 3.48Å; F53-K65 HydrophobicContact CE1-CG 4.22Å; F53-K65 HydrophobicContact CZ-CB 3.95Å; F53-K65 HydrophobicContact CZ-CD 3.88Å; F53-K65 HydrophobicContact CZ-CG 4.29Å; Y61-K65 HydrophobicContact CE1-CD 3.84Å; Y61-K65 VanDerWaalsContact O-CB 3.3Å; Y61-K65 WeakPolarHBondContact O-CB 3.4Å; Y61-K65 PolarHBondContact O-N 3.07Å; Y61-K65 PolarHBondContact OH-NZ 2.72Å; Y61-K65 VanDerWaalsContact OH-NZ 3.08Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.25Å
66	A	91.7	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-113.3	-43.1	-172.4	0	0	0	0	0	114.7	Y51 F53 V62 L310	Y51-A66 HydrophobicContact CD2-CB 4.01Å; Y51-A66 HydrophobicContact CE2-CB 4.11Å; Y51-A66 HydrophobicContact CG-CB 4.26Å; F53-A66 HydrophobicContact CE2-CB 4.07Å; F53-A66 HydrophobicContact CZ-CB 3.88Å; V62-A66 PolarHBondContact O-N 2.74Å; V62-A66 VanDerWaalsContact O-N 3.17Å; A66-L310 HydrophobicContact CB-CD2 4.01Å; A66-L310 WeakPolarHBondContact O-CD2 3.32Å
67	A	93.1	Very high	91.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-87.7	-38.5	-173.5	0	0	0	0	0	113.2	Y63 M70 V71 L82 I111 I115	Y63-A67 HydrophobicContact CD2-CB 3.68Å; Y63-A67 HydrophobicContact CE2-CB 4.01Å; Y63-A67 WeakPolarHBondContact O-CA 3.42Å; Y63-A67 WeakPolarHBondContact O-CB 3.41Å; Y63-A67 PolarHBondContact O-N 2.69Å; A67-M70 WeakPolarHBondContact O-CA 3.27Å; A67-M70 VanDerWaalsContact O-CB 3.27Å; A67-M70 WeakPolarHBondContact O-CB 3.42Å; A67-M70 PolarHBondContact O-N 3.22Å; A67-V71 PolarHBondContact O-N 3.15Å; A67-L82 HydrophobicContact CB-CD1 3.79Å; A67-I111 HydrophobicContact CB-CG2 3.81Å; A67-I115 HydrophobicContact CB-CD1 4.28Å; A67-I115 HydrophobicContact CB-CG1 4.5Å
68	L	93.1	Very high	91.7	Very high	37 Å²	37	36.3 Å²	36.3	19%	0.194	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-42.2	-179.7	174.1	62.7	0	0	0	114	Y63 R64 M70 V71 D118	Y63-L68 HydrophobicContact CE1-CB 4.33Å; Y63-L68 PolarHBondContact O-N 2.79Å; R64-L68 HydrophobicContact CG-CD2 3.87Å; L68-M70 PolarHBondContact O-N 3.38Å; L68-M70 VanDerWaalsContact O-N 3.14Å; L68-V71 WeakPolarHBondContact O-CB 3.34Å; L68-V71 PolarHBondContact O-N 3.19Å; L68-V71 VanDerWaalsContact O-N 3.08Å; L68-D118 VanDerWaalsContact CD1-OD2 3.3Å; L68-D118 WeakPolarHBondContact CD1-OD2 3.27Å
69	P	91.2	Very high	91.7	Very high	47 Å²	47	33.9 Å²	33.9	31%	0.305	15%	0.153	S	C	.	.	H	α-helix	trans	-62.4	-19.3	174.1	-23.8	35.2	0	0	0	114.4
70	M	91.2	Very high	91.8	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.044	15%	0.152	C	C	.	.	H	α-helix	trans	-82.2	-28.6	176.3	-55.1	-64.3	163.8	0	0	111.9	K9 A67 L68 E72 N73 I74 V80 L310	K9-M70 HydrophobicContact CD-CE 4Å; A67-M70 WeakPolarHBondContact O-CA 3.27Å; A67-M70 VanDerWaalsContact O-CB 3.27Å; A67-M70 WeakPolarHBondContact O-CB 3.42Å; A67-M70 PolarHBondContact O-N 3.22Å; L68-M70 PolarHBondContact O-N 3.38Å; L68-M70 VanDerWaalsContact O-N 3.14Å; M70-E72 VanDerWaalsContact C-N 3.27Å; M70-E72 PolarHBondContact O-N 2.9Å; M70-N73 WeakPolarHBondContact O-CB 3.37Å; M70-N73 PolarHBondContact O-N 3.06Å; M70-N73 VanDerWaalsContact O-N 3.09Å; M70-I74 WeakPolarHBondContact O-CG1 3.3Å; M70-I74 PolarHBondContact O-N 2.88Å; M70-V80 HydrophobicContact CB-CG1 3.82Å; M70-V80 HydrophobicContact CB-CG2 4.39Å; M70-V80 HydrophobicContact CG-CG1 4.47Å; M70-L310 HydrophobicContact CE-CB 4.21Å; M70-L310 HydrophobicContact CG-CD2 4.45Å
71	V	91.8	Very high	92	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-57.8	-43.3	172.8	178.5	0	0	0	0	110.4	A67 L68 N73 I74 L75 I115 L119	A67-V71 PolarHBondContact O-N 3.15Å; L68-V71 WeakPolarHBondContact O-CB 3.34Å; L68-V71 PolarHBondContact O-N 3.19Å; L68-V71 VanDerWaalsContact O-N 3.08Å; V71-N73 VanDerWaalsContact C-N 3.31Å; V71-N73 PolarHBondContact O-N 2.98Å; V71-I74 PolarHBondContact O-N 3.05Å; V71-L75 HydrophobicContact CG1-CD1 4.05Å; V71-L75 WeakPolarHBondContact O-CG 3.28Å; V71-L75 PolarHBondContact O-N 2.93Å; V71-L75 VanDerWaalsContact O-N 3.12Å; V71-I115 HydrophobicContact CG2-CG1 4.21Å; V71-I115 HydrophobicContact CG2-CG2 4.39Å; V71-L119 HydrophobicContact CG1-CD2 3.82Å; V71-L119 HydrophobicContact CG1-CG 4.01Å
72	E	89.8	Confident	92.1	Very high	89 Å²	89	26 Å²	26	42%	0.416	12%	0.119	S	C	.	.	H	α-helix	trans	-60.5	-36	174.9	-70.3	-171.7	-144	0	0	113.7	M70 L75 K76	M70-E72 VanDerWaalsContact C-N 3.27Å; M70-E72 PolarHBondContact O-N 2.9Å; E72-L75 PolarHBondContact O-N 3.32Å; E72-K76 WeakPolarHBondContact O-CB 3.25Å; E72-K76 VanDerWaalsContact O-CD 3.24Å; E72-K76 WeakPolarHBondContact O-CD 3.46Å; E72-K76 WeakPolarHBondContact O-CG 3.22Å; E72-K76 PolarHBondContact O-N 2.88Å; E72-K76 VanDerWaalsContact O-N 3.08Å; E72-K76 IonicContact OE2-NZ 3.13Å; E72-K76 PolarHBondContact OE2-NZ 3.45Å
73	N	90.5	Very high	92.1	Very high	27 Å²	27	26 Å²	26	14%	0.144	12%	0.118	C	C	.	.	H	α-helix	trans	-68.6	-36.8	179.5	-68.4	-27.4	0	0	0	111.4	M70 V71 K76 G77 Y78 V80	M70-N73 WeakPolarHBondContact O-CB 3.37Å; M70-N73 PolarHBondContact O-N 3.06Å; M70-N73 VanDerWaalsContact O-N 3.09Å; V71-N73 VanDerWaalsContact C-N 3.31Å; V71-N73 PolarHBondContact O-N 2.98Å; N73-K76 CarbonylContact O-C 3.56Å; N73-K76 PolarHBondContact O-N 3.36Å; N73-G77 PolarHBondContact O-N 2.75Å; N73-Y78 WeakPolarHBondContact O-CB 3.37Å; N73-Y78 PolarHBondContact O-N 3.35Å; N73-V80 HydrophobicContact CB-CG2 3.9Å
74	I	91.6	Very high	92.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-48	174.7	-59.1	162.4	0	0	0	110.4	M70 V71 K76 G77 V80 L119 F214 A234 L236	M70-I74 WeakPolarHBondContact O-CG1 3.3Å; M70-I74 PolarHBondContact O-N 2.88Å; V71-I74 PolarHBondContact O-N 3.05Å; I74-K76 PolarHBondContact O-N 3.08Å; I74-G77 PolarHBondContact O-N 3.13Å; I74-V80 HydrophobicContact CD1-CB 4.27Å; I74-V80 HydrophobicContact CD1-CG1 4.46Å; I74-V80 HydrophobicContact CD1-CG2 4.44Å; I74-V80 HydrophobicContact CG1-CB 3.85Å; I74-V80 HydrophobicContact CG1-CG2 3.67Å; I74-L119 HydrophobicContact CB-CD2 4.37Å; I74-L119 HydrophobicContact CD1-CD2 4.38Å; I74-L119 HydrophobicContact CG2-CD2 4.12Å; I74-F214 HydrophobicContact CG2-CD2 3.44Å; I74-F214 VanDerWaalsContact CG2-CD2 3.44Å; I74-F214 HydrophobicContact CG2-CE2 3.45Å; I74-F214 VanDerWaalsContact CG2-CE2 3.45Å; I74-F214 HydrophobicContact CG2-CG 4.03Å; I74-F214 HydrophobicContact CG2-CZ 4.03Å; I74-A234 HydrophobicContact CG2-CB 4.19Å; I74-L236 HydrophobicContact CD1-CB 3.89Å; I74-L236 HydrophobicContact CD1-CD1 4.02Å; I74-L236 HydrophobicContact CD1-CD2 3.77Å; I74-L236 HydrophobicContact CD1-CG 4.08Å; I74-L236 HydrophobicContact CG1-CB 4.49Å
75	L	90	Very high	92.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-26.9	-179.9	-66.2	169.8	0	0	0	112.3	V71 E72 L119 K122 M123 Y126 Y130 L216	V71-L75 HydrophobicContact CG1-CD1 4.05Å; V71-L75 WeakPolarHBondContact O-CG 3.28Å; V71-L75 PolarHBondContact O-N 2.93Å; V71-L75 VanDerWaalsContact O-N 3.12Å; E72-L75 PolarHBondContact O-N 3.32Å; L75-L119 HydrophobicContact CD2-CD2 4.13Å; L75-L119 HydrophobicContact CG-CD2 4.24Å; L75-K122 HydrophobicContact CD1-CB 3.67Å; L75-M123 HydrophobicContact CD2-CG 3.76Å; L75-Y126 HydrophobicContact CB-CD1 4.04Å; L75-Y126 HydrophobicContact CB-CD2 4.36Å; L75-Y126 HydrophobicContact CB-CE1 3.75Å; L75-Y126 HydrophobicContact CB-CE2 4.11Å; L75-Y126 HydrophobicContact CB-CG 4.34Å; L75-Y126 HydrophobicContact CD1-CD2 4.2Å; L75-Y126 HydrophobicContact CD1-CE2 3.67Å; L75-Y126 HydrophobicContact CG-CE2 4.43Å; L75-Y130 HydrophobicContact CD2-CE1 3.83Å; L75-Y130 HydrophobicContact CD2-CE2 4.47Å; L75-Y130 PolarHBondContact O-OH 3.3Å; L75-L216 WeakPolarHBondContact O-CD2 3.33Å
76	K	86.7	Confident	92.3	Very high	78 Å²	78	17 Å²	17	34%	0.339	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	9.3	172.5	-64.2	162.9	-161.7	169.5	0	114	E72 N73 I74 Y78 Y126 L344	E72-K76 WeakPolarHBondContact O-CB 3.25Å; E72-K76 VanDerWaalsContact O-CD 3.24Å; E72-K76 WeakPolarHBondContact O-CD 3.46Å; E72-K76 WeakPolarHBondContact O-CG 3.22Å; E72-K76 PolarHBondContact O-N 2.88Å; E72-K76 VanDerWaalsContact O-N 3.08Å; E72-K76 IonicContact OE2-NZ 3.13Å; E72-K76 PolarHBondContact OE2-NZ 3.45Å; N73-K76 CarbonylContact O-C 3.56Å; N73-K76 PolarHBondContact O-N 3.36Å; I74-K76 PolarHBondContact O-N 3.08Å; K76-Y78 HydrophobicContact CB-CD2 4.04Å; K76-Y78 HydrophobicContact CB-CE2 4.15Å; K76-Y126 HydrophobicContact CG-CE1 4.3Å; K76-L344 WeakPolarHBondContact O-CD1 3.45Å
77	G	88.2	Confident	92.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	15.3	173	0	0	0	0	0	116.7	N73 I74	N73-G77 PolarHBondContact O-N 2.75Å; I74-G77 PolarHBondContact O-N 3.13Å
78	Y	90.9	Very high	92.1	Very high	37 Å²	37	20.2 Å²	20.2	15%	0.145	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-96.6	146.5	176.1	-63.4	-87.7	0	0	0	112.3	I3 N73 K76 A234 P342 L344	I3-Y78 HydrophobicContact CD1-CD1 3.61Å; I3-Y78 HydrophobicContact CD1-CD2 3.91Å; I3-Y78 HydrophobicContact CD1-CE1 3.69Å; I3-Y78 HydrophobicContact CD1-CE2 4Å; I3-Y78 HydrophobicContact CD1-CG 3.71Å; I3-Y78 HydrophobicContact CG1-CE1 4.32Å; I3-Y78 HydrophobicContact CG1-CE2 4.38Å; N73-Y78 WeakPolarHBondContact O-CB 3.37Å; N73-Y78 PolarHBondContact O-N 3.35Å; K76-Y78 HydrophobicContact CB-CD2 4.04Å; K76-Y78 HydrophobicContact CB-CE2 4.15Å; Y78-A234 WeakPolarHBondContact O-CB 3.5Å; Y78-P342 HydrophobicContact CD1-CB 4.11Å; Y78-L344 HydrophobicContact CE1-CB 4.3Å; Y78-L344 HydrophobicContact CE2-CD1 4.35Å
79	N	93.1	Very high	91.9	Very high	12 Å²	12	21 Å²	21	6%	0.064	12%	0.118	C	C	.	.			trans	-67.6	143.6	168.3	-63.4	-36	0	0	0	110.7	K235 N306 S307 A308 N345	N79-K235 CarbonylContact C-O 3.58Å; N79-K235 WeakPolarHBondContact CA-O 3.48Å; N79-K235 PolarHBondContact OD1-N 2.78Å; N79-N306 VanDerWaalsContact CB-O 3.28Å; N79-N306 WeakPolarHBondContact CB-O 3.13Å; N79-N306 PolarHBondContact ND2-O 3Å; N79-S307 WeakPolarHBondContact O-CA 3.48Å; N79-S307 PolarHBondContact O-OG 3.4Å; N79-A308 PolarHBondContact O-N 2.95Å; N79-N345 VanDerWaalsContact CG-ND2 3.34Å; N79-N345 PolarHBondContact ND2-ND2 3.08Å; N79-N345 PolarHBondContact ND2-OD1 3.44Å; N79-N345 PolarHBondContact OD1-ND2 3.02Å
80	V	94.9	Very high	91.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.4	178.3	165.7	0	0	0	0	110.4	M70 N73 I74 K235 L236 H237 S307 A308	M70-V80 HydrophobicContact CB-CG1 3.82Å; M70-V80 HydrophobicContact CB-CG2 4.39Å; M70-V80 HydrophobicContact CG-CG1 4.47Å; N73-V80 HydrophobicContact CB-CG2 3.9Å; I74-V80 HydrophobicContact CD1-CB 4.27Å; I74-V80 HydrophobicContact CD1-CG1 4.46Å; I74-V80 HydrophobicContact CD1-CG2 4.44Å; I74-V80 HydrophobicContact CG1-CB 3.85Å; I74-V80 HydrophobicContact CG1-CG2 3.67Å; V80-K235 PolarHBondContact N-O 3.08Å; V80-L236 HydrophobicContact CB-CD1 4.24Å; V80-L236 HydrophobicContact CG1-CD1 3.73Å; V80-L236 WeakPolarHBondContact O-CA 3.5Å; V80-H237 PolarHBondContact O-N 2.88Å; V80-S307 WeakPolarHBondContact CA-OG 3.47Å; V80-S307 PolarHBondContact N-OG 3.33Å; V80-A308 VanDerWaalsContact CA-O 3.29Å; V80-A308 WeakPolarHBondContact CA-O 3.46Å; V80-A308 HydrophobicContact CG2-CB 4.34Å
81	T	95.3	Very high	91.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.7	169.2	-54.4	0	0	0	0	109.8	F83 H237 L299 S302 S307 A308 T309 L310	T81-F83 HydrophobicContact CG2-CD1 4.28Å; T81-H237 WeakPolarHBondContact CA-O 3.42Å; T81-H237 HydrophobicContact CG2-CB 4.03Å; T81-L299 HydrophobicContact CG2-CD2 4.38Å; T81-S302 WeakPolarHBondContact CG2-OG 3.39Å; T81-S302 WeakPolarHBondContact OG1-CB 3.35Å; T81-S302 PolarHBondContact OG1-OG 3.4Å; T81-S307 PolarHBondContact N-OG 3.03Å; T81-S307 VanDerWaalsContact N-OG 3.14Å; T81-S307 PolarHBondContact OG1-OG 3.44Å; T81-A308 PolarHBondContact N-O 3.07Å; T81-A308 VanDerWaalsContact N-O 3.08Å; T81-T309 HydrophobicContact CG2-CG2 4.34Å; T81-T309 CarbonylContact O-C 3.51Å; T81-T309 VanDerWaalsContact O-CA 3.31Å; T81-T309 WeakPolarHBondContact O-CA 3.38Å; T81-L310 PolarHBondContact O-N 2.9Å
82	L	96	Very high	92	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.1	172.7	-172.4	164.2	0	0	0	108.4	A67 M96 I111 I115 H237 L238 V239 L310 L312	A67-L82 HydrophobicContact CB-CD1 3.79Å; L82-M96 HydrophobicContact CD2-CE 3.92Å; L82-M96 HydrophobicContact CD2-SD 3.57Å; L82-M96 VanDerWaalsContact CD2-SD 3.57Å; L82-I111 HydrophobicContact CD1-CG2 3.79Å; L82-I111 HydrophobicContact CD2-CG2 4.36Å; L82-I115 HydrophobicContact CD1-CD1 4.02Å; L82-H237 PolarHBondContact N-O 2.87Å; L82-L238 HydrophobicContact CB-CD2 4.24Å; L82-V239 PolarHBondContact O-N 3.44Å; L82-L310 WeakPolarHBondContact CA-O 3.45Å; L82-L310 HydrophobicContact CD1-CD2 3.84Å; L82-L310 HydrophobicContact CG-CB 4.41Å; L82-L310 HydrophobicContact CG-CD2 4.01Å; L82-L310 HydrophobicContact CG-CG 4.34Å; L82-L312 HydrophobicContact CD2-CD1 3.89Å; L82-L312 HydrophobicContact CD2-CG 4.48Å; L82-L312 HydrophobicContact CG-CD1 4.49Å
83	F	94.7	Very high	92	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.3	-176	72.2	-91	0	0	0	113.5	T81 V239 L241 L303 T309 L310 M311 L312	T81-F83 HydrophobicContact CG2-CD1 4.28Å; F83-V239 WeakPolarHBondContact CA-O 3.24Å; F83-V239 HydrophobicContact CB-CB 3.68Å; F83-V239 HydrophobicContact CB-CG1 4.15Å; F83-V239 HydrophobicContact CB-CG2 4.4Å; F83-L241 HydrophobicContact CD2-CD1 3.88Å; F83-L241 HydrophobicContact CE2-CD1 4.47Å; F83-L303 HydrophobicContact CE1-CD2 4.25Å; F83-L303 HydrophobicContact CZ-CD2 4.33Å; F83-T309 HydrophobicContact CD1-CG2 3.98Å; F83-T309 HydrophobicContact CE1-CG2 3.67Å; F83-L310 PolarHBondContact N-O 2.97Å; F83-M311 HydrophobicContact CD2-CG 4.21Å; F83-M311 HydrophobicContact CE1-CB 3.91Å; F83-M311 HydrophobicContact CE1-CG 4.41Å; F83-M311 HydrophobicContact CE2-CB 3.97Å; F83-M311 HydrophobicContact CE2-CG 3.54Å; F83-M311 HydrophobicContact CE2-SD 4.02Å; F83-M311 HydrophobicContact CZ-CB 3.6Å; F83-M311 HydrophobicContact CZ-CG 3.66Å; F83-M311 HydrophobicContact CZ-SD 4.06Å; F83-L312 PolarHBondContact O-N 3.41Å
84	A	95.6	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.1	174.8	0	0	0	0	0	111.1	K92 M96 V239 L241 L312	A84-K92 HydrophobicContact CB-CB 3.94Å; A84-K92 HydrophobicContact CB-CD 4.48Å; A84-K92 HydrophobicContact CB-CG 4.26Å; A84-M96 HydrophobicContact CB-CG 3.84Å; A84-M96 HydrophobicContact CB-SD 4.02Å; A84-V239 PolarHBondContact N-O 2.69Å; A84-L241 WeakPolarHBondContact O-CB 3.46Å; A84-L241 WeakPolarHBondContact O-CG 3.34Å; A84-L241 PolarHBondContact O-N 2.94Å; A84-L312 CarbonylContact C-O 3.56Å; A84-L312 WeakPolarHBondContact CA-O 3.45Å
85	Y	95.3	Very high	92	Very high	15 Å²	15	22.6 Å²	22.6	6%	0.059	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.5	-177.9	178.8	-87.4	0	0	0	110.8	L241 S244 L267 M311 L312 A313 C314 T328 Y331	Y85-L241 HydrophobicContact CD2-CD1 3.82Å; Y85-L241 HydrophobicContact CG-CD1 4.47Å; Y85-S244 WeakPolarHBondContact OH-CB 3.42Å; Y85-L267 HydrophobicContact CD2-CD2 4.39Å; Y85-L267 HydrophobicContact CE2-CD2 4.11Å; Y85-M311 HydrophobicContact CD1-CE 3.55Å; Y85-M311 HydrophobicContact CE1-CE 4.43Å; Y85-M311 HydrophobicContact CG-CE 3.76Å; Y85-L312 PolarHBondContact N-O 2.99Å; Y85-A313 CarbonylContact O-C 3.57Å; Y85-A313 WeakPolarHBondContact O-CA 3.28Å; Y85-C314 PolarHBondContact O-N 3.28Å; Y85-T328 HydrophobicContact CD1-CG2 4.02Å; Y85-T328 HydrophobicContact CE1-CG2 4.18Å; Y85-Y331 HydrophobicContact CD1-CD1 4.09Å; Y85-Y331 HydrophobicContact CD1-CE1 4.42Å; Y85-Y331 HydrophobicContact CD1-CG 4.45Å; Y85-Y331 HydrophobicContact CD2-CD1 4.5Å; Y85-Y331 HydrophobicContact CD2-CE1 4.03Å; Y85-Y331 AromaticContact CE1-CD1 3.81Å; Y85-Y331 HydrophobicContact CE1-CD1 3.81Å; Y85-Y331 HydrophobicContact CE1-CD2 4.15Å; Y85-Y331 HydrophobicContact CE1-CE1 4.24Å; Y85-Y331 AromaticContact CE1-CG 3.73Å; Y85-Y331 HydrophobicContact CE1-CG 3.73Å; Y85-Y331 HydrophobicContact CE2-CD1 4.22Å; Y85-Y331 HydrophobicContact CE2-CD2 4.31Å; Y85-Y331 AromaticContact CE2-CE1 3.8Å; Y85-Y331 HydrophobicContact CE2-CE1 3.8Å; Y85-Y331 AromaticContact CE2-CE2 3.93Å; Y85-Y331 HydrophobicContact CE2-CE2 3.93Å; Y85-Y331 HydrophobicContact CE2-CG 4.43Å; Y85-Y331 AromaticContact CE2-CZ 3.64Å; Y85-Y331 HydrophobicContact CG-CD1 4.45Å; Y85-Y331 HydrophobicContact CG-CE1 4.34Å; Y85-Y331 AromaticContact CZ-CD1 3.87Å; Y85-Y331 AromaticContact CZ-CD2 3.66Å; Y85-Y331 AromaticContact CZ-CE1 3.92Å; Y85-Y331 AromaticContact CZ-CE2 3.74Å; Y85-Y331 AromaticContact CZ-CG 3.72Å; Y85-Y331 AromaticContact CZ-CZ 3.85Å; Y85-Y331 VanDerWaalsContact OH-CD2 3.25Å; Y85-Y331 WeakPolarHBondContact OH-CD2 3.49Å; Y85-Y331 WeakPolarHBondContact OH-CE2 3.34Å
86	G	93.9	Very high	92.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	137.7	175.6	-176.4	0	0	0	0	0	112.7	K92 S244	G86-K92 PolarHBondContact O-NZ 3.07Å; G86-S244 WeakPolarHBondContact CA-OG 3.43Å; G86-S244 PolarHBondContact O-N 3.25Å; G86-S244 VanDerWaalsContact O-N 3.17Å; G86-S244 PolarHBondContact O-OG 3.33Å
87	Q	91.8	Very high	92.1	Very high	17 Å²	17	19.4 Å²	19.4	8%	0.079	11%	0.114	C	C	.	.			trans	-64	164.8	-177	64.5	172.4	93.2	0	0	113.8	S90 K92 S244 E245 N321 E324	Q87-S90 VanDerWaalsContact O-CB 3.32Å; Q87-S90 WeakPolarHBondContact O-CB 3.25Å; Q87-S90 PolarHBondContact O-N 3.31Å; Q87-S90 PolarHBondContact O-OG 3.46Å; Q87-K92 PolarHBondContact O-NZ 2.94Å; Q87-K92 VanDerWaalsContact O-NZ 3.09Å; Q87-S244 PolarHBondContact N-OG 3.01Å; Q87-E245 VanDerWaalsContact CA-OE2 3.25Å; Q87-E245 WeakPolarHBondContact CA-OE2 3.46Å; Q87-E245 HydrophobicContact CB-CB 4.29Å; Q87-N321 PolarHBondContact NE2-OD1 3.35Å; Q87-N321 PolarHBondContact OE1-OD1 3.48Å; Q87-E324 HydrophobicContact CB-CB 4.49Å
88	T	89.4	Confident	91.4	Very high	49 Å²	49	19.7 Å²	19.7	30%	0.301	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	140.8	163.9	-65.1	0	0	0	0	110.2	S90 S204 E245	T88-S90 PolarHBondContact O-N 2.62Å; T88-S204 WeakPolarHBondContact OG1-CB 3.37Å; T88-E245 WeakPolarHBondContact CB-OE1 3.48Å; T88-E245 PolarHBondContact N-OE2 3.28Å; T88-E245 PolarHBondContact OG1-OE1 3.02Å; T88-E245 PolarHBondContact OG1-OE2 3.49Å
89	G	88	Confident	90.3	Very high	53 Å²	53	21.6 Å²	21.6	55%	0.546	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-2.5	-176.5	0	0	0	0	0	115.7	R15 G91	R15-G89 PolarHBondContact NE-O 2.69Å; G89-G91 PolarHBondContact O-N 3.16Å
90	S	91.1	Very high	88.5	Confident	3 Å²	3	23 Å²	23	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-72.7	-7	177.7	60.9	0	0	0	0	115.3	Q87 T88 C314	Q87-S90 VanDerWaalsContact O-CB 3.32Å; Q87-S90 WeakPolarHBondContact O-CB 3.25Å; Q87-S90 PolarHBondContact O-N 3.31Å; Q87-S90 PolarHBondContact O-OG 3.46Å; T88-S90 PolarHBondContact O-N 2.62Å; S90-C314 WeakPolarHBondContact CB-O 3.41Å
91	G	90.9	Very high	86.4	Confident	19 Å²	19	26.2 Å²	26.2	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	94.3	15.9	179.8	0	0	0	0	0	116.1	G89 Y94 T95	G89-G91 PolarHBondContact O-N 3.16Å; G91-Y94 PolarHBondContact O-N 3.2Å; G91-T95 WeakPolarHBondContact O-CB 3.49Å; G91-T95 PolarHBondContact O-N 3.05Å; G91-T95 PolarHBondContact O-OG1 3.36Å
92	K	93.3	Very high	84.3	Confident	10 Å²	10	34.9 Å²	34.9	4%	0.043	20%	0.203	C	C	.	.	H	α-helix	trans	-51.3	-63.1	175	-59.8	-166.7	-60.3	-75.6	0	112.9	A84 G86 Q87 Y94 T95 M96 D240 L241 A242 C314	A84-K92 HydrophobicContact CB-CB 3.94Å; A84-K92 HydrophobicContact CB-CD 4.48Å; A84-K92 HydrophobicContact CB-CG 4.26Å; G86-K92 PolarHBondContact O-NZ 3.07Å; Q87-K92 PolarHBondContact O-NZ 2.94Å; Q87-K92 VanDerWaalsContact O-NZ 3.09Å; K92-Y94 VanDerWaalsContact C-N 3.25Å; K92-Y94 PolarHBondContact O-N 3.23Å; K92-T95 WeakPolarHBondContact O-CB 3.5Å; K92-T95 PolarHBondContact O-N 3.34Å; K92-M96 WeakPolarHBondContact O-CG 3.2Å; K92-M96 PolarHBondContact O-N 3.03Å; K92-D240 WeakPolarHBondContact CB-OD1 3.42Å; K92-L241 WeakPolarHBondContact CE-O 3.27Å; K92-A242 WeakPolarHBondContact CE-O 3.49Å; K92-A242 PolarHBondContact NZ-O 3.45Å; K92-C314 HydrophobicContact CG-CB 3.92Å
93	T	89.9	Confident	82	Confident	42 Å²	42	39.6 Å²	39.6	26%	0.258	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-30	-177.1	-41.5	0	0	0	0	112.6	G97 T98 D240	T93-G97 WeakPolarHBondContact O-CA 3.47Å; T93-G97 PolarHBondContact O-N 3.12Å; T93-T98 VanDerWaalsContact CG2-OG1 3.28Å; T93-T98 WeakPolarHBondContact CG2-OG1 3.44Å; T93-D240 PolarHBondContact N-OD1 3.16Å; T93-D240 PolarHBondContact OG1-OD1 3.02Å; T93-D240 PolarHBondContact OG1-OD2 3.46Å
94	Y	90.1	Very high	79.9	Confident	132 Å²	132	42.7 Å²	42.7	52%	0.518	26%	0.255	S	S	.	.	H	α-helix	trans	-71.5	-42	171.9	175.1	-97	0	0	0	112.5	Q59 G91 K92 G97	Q59-Y94 VanDerWaalsContact CD-CE1 3.45Å; Q59-Y94 HydrophobicContact CG-CE1 4.16Å; Q59-Y94 PolarHBondContact NE2-O 3.23Å; G91-Y94 PolarHBondContact O-N 3.2Å; K92-Y94 VanDerWaalsContact C-N 3.25Å; K92-Y94 PolarHBondContact O-N 3.23Å; Y94-G97 PolarHBondContact O-N 3.16Å
95	T	93.3	Very high	78.2	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-41.8	175.7	-60.7	0	0	0	0	111	R13 G91 K92 I111 L312	R13-T95 PolarHBondContact NH1-OG1 2.81Å; G91-T95 WeakPolarHBondContact O-CB 3.49Å; G91-T95 PolarHBondContact O-N 3.05Å; G91-T95 PolarHBondContact O-OG1 3.36Å; K92-T95 WeakPolarHBondContact O-CB 3.5Å; K92-T95 PolarHBondContact O-N 3.34Å; T95-I111 HydrophobicContact CG2-CD1 3.77Å; T95-I111 WeakPolarHBondContact O-CB 3.38Å; T95-I111 WeakPolarHBondContact O-CG1 3.3Å; T95-I111 PolarHBondContact O-N 2.93Å; T95-L312 HydrophobicContact CG2-CD1 4.02Å
96	M	92	Very high	76.9	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-40.7	173.3	-62.5	-60.7	-72.8	0	0	111.5	L82 A84 K92 T98 I111 V112 L238 D240	L82-M96 HydrophobicContact CD2-CE 3.92Å; L82-M96 HydrophobicContact CD2-SD 3.57Å; L82-M96 VanDerWaalsContact CD2-SD 3.57Å; A84-M96 HydrophobicContact CB-CG 3.84Å; A84-M96 HydrophobicContact CB-SD 4.02Å; K92-M96 WeakPolarHBondContact O-CG 3.2Å; K92-M96 PolarHBondContact O-N 3.03Å; M96-T98 HydrophobicContact CB-CG2 4.04Å; M96-I111 PolarHBondContact O-N 3.21Å; M96-V112 HydrophobicContact CB-CG2 4.23Å; M96-V112 HydrophobicContact CE-CG2 3.94Å; M96-V112 VanDerWaalsContact O-CB 3.23Å; M96-V112 WeakPolarHBondContact O-CB 3.38Å; M96-V112 WeakPolarHBondContact O-CG2 3.47Å; M96-V112 PolarHBondContact O-N 3.32Å; M96-L238 HydrophobicContact CE-CB 4.01Å; M96-L238 HydrophobicContact CE-CD2 4.2Å; M96-D240 HydrophobicContact CG-CB 4.33Å
97	G	85.5	Confident	75.8	Confident	12 Å²	12	60.1 Å²	60.1	12%	0.124	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	31.1	-177.6	0	0	0	0	0	113.6	T93 Y94	T93-G97 WeakPolarHBondContact O-CA 3.47Å; T93-G97 PolarHBondContact O-N 3.12Å; Y94-G97 PolarHBondContact O-N 3.16Å
98	T	73.9	Confident	75.2	Confident	6 Å²	6	61.4 Å²	61.4	4%	0.037	36%	0.355	C	S	.	.			trans	-74.9	-25.3	-178.7	53.1	0	0	0	0	113.5	T93 M96 I100 V112 L185 S189	T93-T98 VanDerWaalsContact CG2-OG1 3.28Å; T93-T98 WeakPolarHBondContact CG2-OG1 3.44Å; M96-T98 HydrophobicContact CB-CG2 4.04Å; T98-I100 PolarHBondContact O-N 3.25Å; T98-V112 HydrophobicContact CG2-CG2 4.29Å; T98-L185 HydrophobicContact CG2-CD1 4.24Å; T98-S189 WeakPolarHBondContact O-CB 3.37Å; T98-S189 PolarHBondContact O-OG 3.45Å
99	C	67.4	Low	75	Confident	76 Å²	76	59.9 Å²	59.9	51%	0.514	35%	0.347	S	S	.	.	S	Bend	trans	-90.6	82.6	177.2	-66.2	0	0	0	0	109.8	S101	C99-S101 PolarHBondContact O-N 3.34Å
100	I	56.2	Low	75.2	Confident	43 Å²	43	57.4 Å²	57.4	22%	0.221	32%	0.322	C	S	.	.			trans	-81.2	113.1	175.7	-59.6	172.7	0	0	0	108.9	T98 L182 L185 H186	T98-I100 PolarHBondContact O-N 3.25Å; I100-L182 HydrophobicContact CD1-CB 4.33Å; I100-L182 HydrophobicContact CD1-CD2 3.76Å; I100-L185 HydrophobicContact CD1-CD2 3.85Å; I100-L185 HydrophobicContact CD1-CG 4.25Å; I100-H186 PolarHBondContact O-ND1 3.33Å
101	S	51.5	Low	75.3	Confident	67 Å²	67	57.3 Å²	57.3	47%	0.469	32%	0.321	S	S	.	.			trans	-81.9	145.8	154.3	-174.5	0	0	0	0	108.3	C99 S103 V104	C99-S101 PolarHBondContact O-N 3.34Å; S101-S103 PolarHBondContact O-N 3.47Å; S101-S103 VanDerWaalsContact O-N 3.1Å; S101-S103 PolarHBondContact OG-OG 2.86Å; S101-S103 VanDerWaalsContact OG-OG 3.13Å; S101-V104 VanDerWaalsContact O-CG2 3.23Å; S101-V104 WeakPolarHBondContact O-CG2 3.37Å; S101-V104 PolarHBondContact O-N 2.99Å
102	E	50.3	Low	75.4	Confident	182 Å²	182	56.4 Å²	56.4	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.4	-177	-62.5	170.7	141.8	0	0	112.8
103	S	47.8	Very low	75.3	Confident	101 Å²	101	57 Å²	57	71%	0.706	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	21.7	-178.7	52.5	0	0	0	0	115.2	S101 V105	S101-S103 PolarHBondContact O-N 3.47Å; S101-S103 VanDerWaalsContact O-N 3.1Å; S101-S103 PolarHBondContact OG-OG 2.86Å; S101-S103 VanDerWaalsContact OG-OG 3.13Å; S103-V105 PolarHBondContact O-N 3.37Å
104	V	51.4	Low	75.5	Confident	66 Å²	66	56.3 Å²	56.3	40%	0.4	31%	0.309	S	S	.	.			trans	-73.6	115.9	-177.5	162.9	0	0	0	0	112.3	S101 A109	S101-V104 VanDerWaalsContact O-CG2 3.23Å; S101-V104 WeakPolarHBondContact O-CG2 3.37Å; S101-V104 PolarHBondContact O-N 2.99Å; V104-A109 HydrophobicContact CG1-CB 4.31Å
105	V	59.1	Low	75.7	Confident	98 Å²	98	50.2 Å²	50.2	59%	0.594	29%	0.285	S	S	*	.			trans	-61.1	132.6	168.9	-179.6	0	0	0	0	109.7	S103 E107 S108	S103-V105 PolarHBondContact O-N 3.37Å; V105-E107 HydrophobicContact CG1-CB 4.43Å; V105-E107 HydrophobicContact CG1-CG 4.43Å; V105-E107 PolarHBondContact O-N 2.9Å; V105-S108 PolarHBondContact O-N 2.97Å; V105-S108 PolarHBondContact O-OG 2.88Å
106	E	67.4	Low	75.7	Confident	120 Å²	120	50.1 Å²	50.1	56%	0.561	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-57.8	-28.4	-170.5	-173.8	167	-157.6	0	0	113.8	S108 A109 R114 K117	E106-S108 VanDerWaalsContact C-N 3.29Å; E106-S108 PolarHBondContact O-N 3.05Å; E106-A109 WeakPolarHBondContact O-CB 3.28Å; E106-A109 PolarHBondContact O-N 3.3Å; E106-R114 PolarHBondContact O-NH2 2.92Å; E106-K117 IonicContact OE1-NZ 3.6Å; E106-K117 PolarHBondContact OE1-NZ 3.03Å
107	E	72.1	Confident	75.7	Confident	163 Å²	163	54.9 Å²	54.9	76%	0.762	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-60	-37	172.5	-60.1	-171.4	157.3	0	0	113.2	V105 R114	V105-E107 HydrophobicContact CG1-CB 4.43Å; V105-E107 HydrophobicContact CG1-CG 4.43Å; V105-E107 PolarHBondContact O-N 2.9Å; E107-R114 PolarHBondContact O-NH2 2.79Å
108	S	79.4	Confident	76	Confident	44 Å²	44	55.6 Å²	55.6	31%	0.308	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-84.5	-11.6	-175	70.2	0	0	0	0	113.9	Q59 V105 E106 G110	Q59-S108 PolarHBondContact NE2-O 2.79Å; V105-S108 PolarHBondContact O-N 2.97Å; V105-S108 PolarHBondContact O-OG 2.88Å; E106-S108 VanDerWaalsContact C-N 3.29Å; E106-S108 PolarHBondContact O-N 3.05Å; S108-G110 PolarHBondContact O-N 3.02Å
109	A	85.2	Confident	77	Confident	17 Å²	17	55.3 Å²	55.3	14%	0.14	30%	0.304	C	S	.	.			trans	-58.3	130.6	177.6	0	0	0	0	0	111.9	Q59 V104 E106 P113 R114	Q59-A109 VanDerWaalsContact CB-O 3.24Å; Q59-A109 WeakPolarHBondContact CB-O 3.45Å; V104-A109 HydrophobicContact CG1-CB 4.31Å; E106-A109 WeakPolarHBondContact O-CB 3.28Å; E106-A109 PolarHBondContact O-N 3.3Å; A109-P113 HydrophobicContact CB-CG 4.07Å; A109-R114 VanDerWaalsContact O-CZ 3.3Å; A109-R114 PolarHBondContact O-NE 3.02Å; A109-R114 PolarHBondContact O-NH2 2.91Å
110	G	90.8	Very high	78.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	29%	0.286	C	S	.	.			trans	-78.7	-168.9	-178	0	0	0	0	0	114.6	S108 P113 R114	S108-G110 PolarHBondContact O-N 3.02Å; G110-P113 WeakPolarHBondContact O-CD 3.47Å; G110-P113 WeakPolarHBondContact O-CG 3.39Å; G110-R114 WeakPolarHBondContact O-CG 3.42Å
111	I	93.8	Very high	79.8	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-41.1	-175	-71.1	174.3	0	0	0	112.8	V62 Y63 A67 L82 T95 M96 R114 I115 L312	V62-I111 HydrophobicContact CG1-CD1 4.16Å; Y63-I111 HydrophobicContact CD2-CG2 4.49Å; A67-I111 HydrophobicContact CB-CG2 3.81Å; L82-I111 HydrophobicContact CD1-CG2 3.79Å; L82-I111 HydrophobicContact CD2-CG2 4.36Å; T95-I111 HydrophobicContact CG2-CD1 3.77Å; T95-I111 WeakPolarHBondContact O-CB 3.38Å; T95-I111 WeakPolarHBondContact O-CG1 3.3Å; T95-I111 PolarHBondContact O-N 2.93Å; M96-I111 PolarHBondContact O-N 3.21Å; I111-R114 PolarHBondContact O-N 3.5Å; I111-I115 HydrophobicContact CG2-CD1 3.44Å; I111-I115 VanDerWaalsContact CG2-CD1 3.44Å; I111-I115 HydrophobicContact CG2-CG1 4.01Å; I111-I115 WeakPolarHBondContact O-CB 3.38Å; I111-I115 WeakPolarHBondContact O-CG1 2.78Å; I111-I115 PolarHBondContact O-N 3.38Å; I111-L312 HydrophobicContact CD1-CD1 3.33Å
112	V	93.4	Very high	81.7	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-55.1	-177	175.6	0	0	0	0	112.4	M96 T98 R114 I115 I116 L185 L210 L238	M96-V112 HydrophobicContact CB-CG2 4.23Å; M96-V112 HydrophobicContact CE-CG2 3.94Å; M96-V112 VanDerWaalsContact O-CB 3.23Å; M96-V112 WeakPolarHBondContact O-CB 3.38Å; M96-V112 WeakPolarHBondContact O-CG2 3.47Å; M96-V112 PolarHBondContact O-N 3.32Å; T98-V112 HydrophobicContact CG2-CG2 4.29Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 3.17Å; V112-I115 PolarHBondContact O-N 3.07Å; V112-I116 HydrophobicContact CG1-CD1 3.76Å; V112-I116 WeakPolarHBondContact O-CD1 3.16Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.46Å; V112-I116 PolarHBondContact O-N 3.37Å; V112-L185 HydrophobicContact CB-CD2 4.43Å; V112-L185 HydrophobicContact CG1-CD2 3.5Å; V112-L210 HydrophobicContact CG1-CD2 3.71Å; V112-L238 HydrophobicContact CG1-CD1 4.11Å; V112-L238 HydrophobicContact CG2-CB 4.32Å; V112-L238 HydrophobicContact CG2-CD1 4.12Å; V112-L238 HydrophobicContact CG2-CD2 4.24Å; V112-L238 HydrophobicContact CG2-CG 4.46Å
113	P	92	Very high	83.6	Confident	21 Å²	21	48.7 Å²	48.7	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-33.4	178.3	22.8	-33.5	0	0	0	113.3	A109 G110 I116 K117 L182	A109-P113 HydrophobicContact CB-CG 4.07Å; G110-P113 WeakPolarHBondContact O-CD 3.47Å; G110-P113 WeakPolarHBondContact O-CG 3.39Å; P113-I116 PolarHBondContact O-N 3.33Å; P113-K117 PolarHBondContact O-N 2.97Å; P113-L182 HydrophobicContact CB-CD2 3.69Å
114	R	92.6	Very high	85.4	Confident	29 Å²	29	47.7 Å²	47.7	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-45.4	175.8	-66.2	179.8	-164.8	-77.7	-4.8	112.4	Y63 E106 E107 A109 G110 I111 V112 I116 K117 D118	Y63-R114 HydrophobicContact CD1-CB 3.86Å; Y63-R114 HydrophobicContact CD1-CG 4.39Å; Y63-R114 HydrophobicContact CD2-CB 3.71Å; Y63-R114 HydrophobicContact CE1-CB 3.95Å; Y63-R114 HydrophobicContact CE2-CB 3.85Å; Y63-R114 HydrophobicContact CG-CB 3.76Å; Y63-R114 HydrophobicContact CG-CG 4.36Å; E106-R114 PolarHBondContact O-NH2 2.92Å; E107-R114 PolarHBondContact O-NH2 2.79Å; A109-R114 VanDerWaalsContact O-CZ 3.3Å; A109-R114 PolarHBondContact O-NE 3.02Å; A109-R114 PolarHBondContact O-NH2 2.91Å; G110-R114 WeakPolarHBondContact O-CG 3.42Å; I111-R114 PolarHBondContact O-N 3.5Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 3.17Å; R114-I116 VanDerWaalsContact C-N 3.26Å; R114-I116 PolarHBondContact O-N 3.47Å; R114-K117 PolarHBondContact O-N 2.94Å; R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 PolarHBondContact O-N 3.02Å
115	I	94.4	Very high	87.1	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-43	173	-74	175.2	0	0	0	110.7	Y63 A67 V71 L82 I111 V112 L119 L236 L238	Y63-I115 HydrophobicContact CD2-CG1 4.29Å; Y63-I115 HydrophobicContact CE2-CG1 3.64Å; A67-I115 HydrophobicContact CB-CD1 4.28Å; A67-I115 HydrophobicContact CB-CG1 4.5Å; V71-I115 HydrophobicContact CG2-CG1 4.21Å; V71-I115 HydrophobicContact CG2-CG2 4.39Å; L82-I115 HydrophobicContact CD1-CD1 4.02Å; I111-I115 HydrophobicContact CG2-CD1 3.44Å; I111-I115 VanDerWaalsContact CG2-CD1 3.44Å; I111-I115 HydrophobicContact CG2-CG1 4.01Å; I111-I115 WeakPolarHBondContact O-CB 3.38Å; I111-I115 WeakPolarHBondContact O-CG1 2.78Å; I111-I115 PolarHBondContact O-N 3.38Å; V112-I115 PolarHBondContact O-N 3.07Å; I115-L119 HydrophobicContact CG2-CD1 3.58Å; I115-L119 HydrophobicContact CG2-CG 4.21Å; I115-L119 WeakPolarHBondContact O-CB 3.5Å; I115-L119 WeakPolarHBondContact O-CD1 3.44Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 3.34Å; I115-L236 HydrophobicContact CG2-CD2 3.63Å; I115-L238 HydrophobicContact CD1-CD2 3.75Å
116	I	93.5	Very high	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-53	178.8	-69.5	162	0	0	0	110.3	V112 P113 R114 L119 F120 P178 V181 L182	V112-I116 HydrophobicContact CG1-CD1 3.76Å; V112-I116 WeakPolarHBondContact O-CD1 3.16Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.46Å; V112-I116 PolarHBondContact O-N 3.37Å; P113-I116 PolarHBondContact O-N 3.33Å; R114-I116 VanDerWaalsContact C-N 3.26Å; R114-I116 PolarHBondContact O-N 3.47Å; I116-L119 PolarHBondContact O-N 2.96Å; I116-F120 HydrophobicContact CG2-CD2 4.17Å; I116-F120 HydrophobicContact CG2-CE2 4.28Å; I116-F120 WeakPolarHBondContact O-CD2 3.49Å; I116-F120 PolarHBondContact O-N 3.43Å; I116-P178 HydrophobicContact CG2-CB 3.59Å; I116-V181 HydrophobicContact CD1-CB 4.12Å; I116-V181 HydrophobicContact CD1-CG1 3.51Å; I116-V181 HydrophobicContact CG1-CB 4.48Å; I116-V181 HydrophobicContact CG1-CG1 3.98Å; I116-V181 HydrophobicContact CG2-CB 4.05Å; I116-V181 HydrophobicContact CG2-CG1 4.46Å; I116-V181 HydrophobicContact CG2-CG2 4.46Å; I116-L182 HydrophobicContact CD1-CD2 3.95Å
117	K	91.6	Very high	89	Confident	101 Å²	101	50.8 Å²	50.8	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-55.3	-55	178.8	-176.3	168.9	174.3	169.3	0	111.5	E106 P113 R114 L119 F120 E121	E106-K117 IonicContact OE1-NZ 3.6Å; E106-K117 PolarHBondContact OE1-NZ 3.03Å; P113-K117 PolarHBondContact O-N 2.97Å; R114-K117 PolarHBondContact O-N 2.94Å; K117-L119 VanDerWaalsContact C-N 3.33Å; K117-L119 PolarHBondContact O-N 2.64Å; K117-F120 PolarHBondContact O-N 2.87Å; K117-E121 WeakPolarHBondContact O-CB 3.42Å; K117-E121 PolarHBondContact O-N 2.85Å
118	D	92.5	Very high	89.6	Confident	27 Å²	27	44.5 Å²	44.5	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-36.1	179	-87.7	56.1	0	0	0	114	Y63 L68 R114 K122	Y63-D118 WeakPolarHBondContact OH-CB 3.49Å; Y63-D118 PolarHBondContact OH-OD1 2.96Å; Y63-D118 PolarHBondContact OH-OD2 3.07Å; L68-D118 VanDerWaalsContact CD1-OD2 3.3Å; L68-D118 WeakPolarHBondContact CD1-OD2 3.27Å; R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 PolarHBondContact O-N 3.02Å; D118-K122 VanDerWaalsContact O-CB 3.22Å; D118-K122 WeakPolarHBondContact O-CB 3.33Å; D118-K122 WeakPolarHBondContact O-CD 3.42Å; D118-K122 VanDerWaalsContact O-CG 3.25Å; D118-K122 WeakPolarHBondContact O-CG 3.4Å; D118-K122 PolarHBondContact O-N 3.12Å; D118-K122 IonicContact OD2-NZ 2.66Å; D118-K122 PolarHBondContact OD2-NZ 2.74Å
119	L	93.8	Very high	89.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-54.9	178	-87.1	169.1	0	0	0	110.5	V71 I74 L75 I115 I116 K117 E121 K122 M123 F214 L236	V71-L119 HydrophobicContact CG1-CD2 3.82Å; V71-L119 HydrophobicContact CG1-CG 4.01Å; I74-L119 HydrophobicContact CB-CD2 4.37Å; I74-L119 HydrophobicContact CD1-CD2 4.38Å; I74-L119 HydrophobicContact CG2-CD2 4.12Å; L75-L119 HydrophobicContact CD2-CD2 4.13Å; L75-L119 HydrophobicContact CG-CD2 4.24Å; I115-L119 HydrophobicContact CG2-CD1 3.58Å; I115-L119 HydrophobicContact CG2-CG 4.21Å; I115-L119 WeakPolarHBondContact O-CB 3.5Å; I115-L119 WeakPolarHBondContact O-CD1 3.44Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 3.34Å; I116-L119 PolarHBondContact O-N 2.96Å; K117-L119 VanDerWaalsContact C-N 3.33Å; K117-L119 PolarHBondContact O-N 2.64Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-E121 PolarHBondContact O-N 3.44Å; L119-K122 PolarHBondContact O-N 3.47Å; L119-M123 HydrophobicContact CB-CE 4.24Å; L119-M123 HydrophobicContact CD2-CE 4.33Å; L119-M123 WeakPolarHBondContact O-CG 3.45Å; L119-M123 PolarHBondContact O-N 3.18Å; L119-F214 HydrophobicContact CD1-CE1 4.17Å; L119-F214 HydrophobicContact CD1-CZ 3.73Å; L119-F214 HydrophobicContact CD2-CZ 4.48Å; L119-L236 HydrophobicContact CD1-CD2 4.13Å
120	F	92.1	Very high	90	Very high	31 Å²	31	47.2 Å²	47.2	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-33.8	-179.4	-79.1	-86.6	0	0	0	112.1	I116 K117 P124 V132 V175 T176 P178 V181	I116-F120 HydrophobicContact CG2-CD2 4.17Å; I116-F120 HydrophobicContact CG2-CE2 4.28Å; I116-F120 WeakPolarHBondContact O-CD2 3.49Å; I116-F120 PolarHBondContact O-N 3.43Å; K117-F120 PolarHBondContact O-N 2.87Å; F120-P124 VanDerWaalsContact O-CD 3.27Å; F120-P124 WeakPolarHBondContact O-CD 3.48Å; F120-V132 HydrophobicContact CE1-CG2 4.38Å; F120-V132 HydrophobicContact CZ-CG2 4.21Å; F120-V175 HydrophobicContact CZ-CG2 4.14Å; F120-T176 WeakPolarHBondContact CE1-O 3.14Å; F120-P178 HydrophobicContact CB-CB 4.25Å; F120-P178 HydrophobicContact CB-CG 4.16Å; F120-P178 HydrophobicContact CD2-CB 3.74Å; F120-P178 HydrophobicContact CD2-CG 4.42Å; F120-P178 HydrophobicContact CE2-CB 4.34Å; F120-P178 HydrophobicContact CG-CB 4.11Å; F120-P178 HydrophobicContact CG-CG 4.3Å; F120-V181 HydrophobicContact CE2-CG2 3.83Å; F120-V181 HydrophobicContact CZ-CG2 4.1Å
121	E	91.5	Very high	89.9	Confident	123 Å²	123	48.9 Å²	48.9	58%	0.575	24%	0.236	S	C	*	.	H	α-helix	trans	-67.8	-34.5	174.5	-169.3	-177.4	150.8	0	0	112.9	K117 L119	K117-E121 WeakPolarHBondContact O-CB 3.42Å; K117-E121 PolarHBondContact O-N 2.85Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-E121 PolarHBondContact O-N 3.44Å
122	K	91.3	Very high	89.8	Confident	59 Å²	59	49.1 Å²	49.1	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-92.2	-25.9	-175.6	-70.7	166.6	-178.2	163.3	0	114.5	L75 D118 L119 P124 N125 Y126	L75-K122 HydrophobicContact CD1-CB 3.67Å; D118-K122 VanDerWaalsContact O-CB 3.22Å; D118-K122 WeakPolarHBondContact O-CB 3.33Å; D118-K122 WeakPolarHBondContact O-CD 3.42Å; D118-K122 VanDerWaalsContact O-CG 3.25Å; D118-K122 WeakPolarHBondContact O-CG 3.4Å; D118-K122 PolarHBondContact O-N 3.12Å; D118-K122 IonicContact OD2-NZ 2.66Å; D118-K122 PolarHBondContact OD2-NZ 2.74Å; L119-K122 PolarHBondContact O-N 3.47Å; K122-P124 VanDerWaalsContact C-CD 3.44Å; K122-P124 VanDerWaalsContact C-N 3.35Å; K122-N125 WeakPolarHBondContact O-CB 3.22Å; K122-N125 PolarHBondContact O-N 2.68Å; K122-Y126 WeakPolarHBondContact O-CD2 3.38Å
123	M	90.6	Very high	89.8	Confident	16 Å²	16	52.3 Å²	52.3	8%	0.079	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-49.5	-43.1	177.4	-81.4	173.4	-171.4	0	0	114.6	L75 L119 N125 Y126 Y130 V132 F214	L75-M123 HydrophobicContact CD2-CG 3.76Å; L119-M123 HydrophobicContact CB-CE 4.24Å; L119-M123 HydrophobicContact CD2-CE 4.33Å; L119-M123 WeakPolarHBondContact O-CG 3.45Å; L119-M123 PolarHBondContact O-N 3.18Å; M123-N125 PolarHBondContact O-N 2.9Å; M123-N125 VanDerWaalsContact O-N 3.16Å; M123-Y126 PolarHBondContact O-N 3.15Å; M123-Y130 HydrophobicContact CB-CD2 3.62Å; M123-Y130 HydrophobicContact CB-CE2 3.94Å; M123-Y130 HydrophobicContact CB-CG 4.16Å; M123-Y130 HydrophobicContact CE-CD1 4.08Å; M123-Y130 HydrophobicContact CE-CG 4.19Å; M123-Y130 HydrophobicContact CG-CD1 3.93Å; M123-Y130 HydrophobicContact CG-CD2 3.49Å; M123-Y130 VanDerWaalsContact CG-CD2 3.49Å; M123-Y130 HydrophobicContact CG-CE1 4.26Å; M123-Y130 HydrophobicContact CG-CE2 3.85Å; M123-Y130 HydrophobicContact CG-CG 3.55Å; M123-Y130 WeakPolarHBondContact O-CE2 3.37Å; M123-Y130 HydrophobicContact SD-CD1 4.24Å; M123-Y130 HydrophobicContact SD-CD2 4.19Å; M123-Y130 HydrophobicContact SD-CG 3.76Å; M123-V132 HydrophobicContact CE-CG2 3.84Å; M123-V132 HydrophobicContact SD-CG2 4.22Å; M123-F214 HydrophobicContact CE-CD1 3.51Å; M123-F214 HydrophobicContact CE-CE1 3.44Å; M123-F214 VanDerWaalsContact CE-CE1 3.44Å
124	P	85.5	Confident	89.9	Confident	81 Å²	81	51.3 Å²	51.3	53%	0.526	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-57.7	-29	177.5	-27.6	36.5	0	0	0	114.4	F120 K122 K219	F120-P124 VanDerWaalsContact O-CD 3.27Å; F120-P124 WeakPolarHBondContact O-CD 3.48Å; K122-P124 VanDerWaalsContact C-CD 3.44Å; K122-P124 VanDerWaalsContact C-N 3.35Å; P124-K219 PolarHBondContact O-NZ 2.82Å
125	N	86.2	Confident	90	Very high	131 Å²	131	50.4 Å²	50.4	70%	0.701	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-85.5	-4.6	-172	-58.2	-35.6	0	0	0	114.2	K122 M123	K122-N125 WeakPolarHBondContact O-CB 3.22Å; K122-N125 PolarHBondContact O-N 2.68Å; M123-N125 PolarHBondContact O-N 2.9Å; M123-N125 VanDerWaalsContact O-N 3.16Å
126	Y	85.3	Confident	90	Very high	69 Å²	69	50.3 Å²	50.3	27%	0.271	24%	0.243	S	C	.	.	S	Bend	trans	-101.5	163.1	179.2	-81	-109.7	0	0	0	111.7	L75 K76 K122 M123 Y128 Y130 K219	L75-Y126 HydrophobicContact CB-CD1 4.04Å; L75-Y126 HydrophobicContact CB-CD2 4.36Å; L75-Y126 HydrophobicContact CB-CE1 3.75Å; L75-Y126 HydrophobicContact CB-CE2 4.11Å; L75-Y126 HydrophobicContact CB-CG 4.34Å; L75-Y126 HydrophobicContact CD1-CD2 4.2Å; L75-Y126 HydrophobicContact CD1-CE2 3.67Å; L75-Y126 HydrophobicContact CG-CE2 4.43Å; K76-Y126 HydrophobicContact CG-CE1 4.3Å; K122-Y126 WeakPolarHBondContact O-CD2 3.38Å; M123-Y126 PolarHBondContact O-N 3.15Å; Y126-Y128 PolarHBondContact O-N 2.84Å; Y126-Y128 VanDerWaalsContact O-N 3.12Å; Y126-Y130 VanDerWaalsContact CB-OH 3.29Å; Y126-Y130 WeakPolarHBondContact CB-OH 3.49Å; Y126-K219 WeakPolarHBondContact O-CE 2.85Å; Y126-K219 PolarHBondContact O-NZ 2.99Å
127	E	80.5	Confident	90	Very high	148 Å²	148	50.6 Å²	50.6	69%	0.692	24%	0.244	S	C	*	.	S	Bend	trans	-72.8	-0.4	-176.2	-68.9	157.9	162.2	0	0	114	K219	E127-K219 WeakPolarHBondContact O-CB 3.38Å; E127-K219 WeakPolarHBondContact O-CG 3.44Å; E127-K219 PolarHBondContact O-N 3.01Å
128	Y	85	Confident	90	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.122	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.1	-176.3	-57.8	-70.6	0	0	0	113.1	Y126 Y130 L216 R217 P218 K219 E229	Y126-Y128 PolarHBondContact O-N 2.84Å; Y126-Y128 VanDerWaalsContact O-N 3.12Å; Y128-Y130 VanDerWaalsContact O-CD2 3.27Å; Y128-Y130 WeakPolarHBondContact O-CD2 3.33Å; Y128-Y130 WeakPolarHBondContact O-CE2 3.17Å; Y128-L216 HydrophobicContact CD1-CB 4.4Å; Y128-L216 HydrophobicContact CD2-CD2 4.15Å; Y128-L216 HydrophobicContact CG-CB 4.13Å; Y128-L216 HydrophobicContact CG-CD2 4.33Å; Y128-R217 CarbonylContact C-O 3.56Å; Y128-R217 VanDerWaalsContact CA-O 3.26Å; Y128-R217 WeakPolarHBondContact CA-O 3.25Å; Y128-P218 HydrophobicContact CD1-CG 4.43Å; Y128-P218 HydrophobicContact CE1-CB 4.5Å; Y128-P218 HydrophobicContact CE1-CG 4.2Å; Y128-K219 VanDerWaalsContact O-CE 3.31Å; Y128-K219 WeakPolarHBondContact O-CE 3.23Å; Y128-E229 WeakPolarHBondContact CE1-OE2 3.4Å; Y128-E229 PolarHBondContact OH-OE2 2.88Å
129	E	85.6	Confident	89.9	Confident	85 Å²	85	44.6 Å²	44.6	40%	0.397	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.8	157.4	-69.3	-175.1	-162.8	0	0	109.6	L216 R217 K219	E129-L216 WeakPolarHBondContact O-CA 3.28Å; E129-R217 PolarHBondContact N-O 3.03Å; E129-R217 PolarHBondContact O-N 3.41Å; E129-R217 IonicContact OE2-CZ 2.77Å; E129-R217 IonicContact OE2-NH1 3.76Å; E129-R217 PolarHBondContact OE2-NH1 2.94Å; E129-R217 IonicContact OE2-NH2 3.65Å; E129-R217 PolarHBondContact OE2-NH2 3.34Å; E129-K219 HydrophobicContact CG-CG 3.92Å
130	Y	87.7	Confident	89.7	Confident	33 Å²	33	46.8 Å²	46.8	13%	0.129	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.6	-178.9	-63.3	-99.2	0	0	0	110.4	L75 M123 Y126 Y128 L215 L216	L75-Y130 HydrophobicContact CD2-CE1 3.83Å; L75-Y130 HydrophobicContact CD2-CE2 4.47Å; L75-Y130 PolarHBondContact O-OH 3.3Å; M123-Y130 HydrophobicContact CB-CD2 3.62Å; M123-Y130 HydrophobicContact CB-CE2 3.94Å; M123-Y130 HydrophobicContact CB-CG 4.16Å; M123-Y130 HydrophobicContact CE-CD1 4.08Å; M123-Y130 HydrophobicContact CE-CG 4.19Å; M123-Y130 HydrophobicContact CG-CD1 3.93Å; M123-Y130 HydrophobicContact CG-CD2 3.49Å; M123-Y130 VanDerWaalsContact CG-CD2 3.49Å; M123-Y130 HydrophobicContact CG-CE1 4.26Å; M123-Y130 HydrophobicContact CG-CE2 3.85Å; M123-Y130 HydrophobicContact CG-CG 3.55Å; M123-Y130 WeakPolarHBondContact O-CE2 3.37Å; M123-Y130 HydrophobicContact SD-CD1 4.24Å; M123-Y130 HydrophobicContact SD-CD2 4.19Å; M123-Y130 HydrophobicContact SD-CG 3.76Å; Y126-Y130 VanDerWaalsContact CB-OH 3.29Å; Y126-Y130 WeakPolarHBondContact CB-OH 3.49Å; Y128-Y130 VanDerWaalsContact O-CD2 3.27Å; Y128-Y130 WeakPolarHBondContact O-CD2 3.33Å; Y128-Y130 WeakPolarHBondContact O-CE2 3.17Å; Y130-L215 CarbonylContact C-O 3.55Å; Y130-L215 WeakPolarHBondContact CA-O 3.31Å; Y130-L216 HydrophobicContact CD1-CD1 4.24Å; Y130-L216 HydrophobicContact CD1-CD2 4.43Å; Y130-L216 HydrophobicContact CD1-CG 3.79Å; Y130-L216 HydrophobicContact CE1-CD1 4.19Å; Y130-L216 HydrophobicContact CE1-CD2 3.67Å; Y130-L216 HydrophobicContact CE1-CG 3.52Å
131	T	88.5	Confident	89.3	Confident	37 Å²	37	48.9 Å²	48.9	23%	0.227	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.8	165	-56.7	0	0	0	0	108.1	V174 L215	T131-V174 HydrophobicContact CG2-CG1 4.41Å; T131-L215 PolarHBondContact N-O 3.14Å; T131-L215 PolarHBondContact O-N 2.91Å
132	V	92.5	Very high	89.1	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.2	-170.7	-169.6	0	0	0	0	109.9	F120 M123 V174 V175 L212 F214	F120-V132 HydrophobicContact CE1-CG2 4.38Å; F120-V132 HydrophobicContact CZ-CG2 4.21Å; M123-V132 HydrophobicContact CE-CG2 3.84Å; M123-V132 HydrophobicContact SD-CG2 4.22Å; V132-V174 WeakPolarHBondContact O-CA 3.31Å; V132-V175 HydrophobicContact CB-CG2 3.67Å; V132-V175 HydrophobicContact CG1-CG2 3.6Å; V132-V175 PolarHBondContact O-N 3.4Å; V132-V175 VanDerWaalsContact O-N 3.07Å; V132-L212 HydrophobicContact CG1-CD2 4.32Å; V132-F214 HydrophobicContact CB-CD1 4.46Å; V132-F214 HydrophobicContact CG1-CD1 4.12Å; V132-F214 HydrophobicContact CG1-CE1 3.81Å; V132-F214 HydrophobicContact CG2-CD1 3.88Å; V132-F214 HydrophobicContact CG2-CE1 4.05Å
133	K	92.4	Very high	88.9	Confident	68 Å²	68	45.1 Å²	45.1	30%	0.296	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.7	167.9	-70	174.9	168	-170.7	0	110.6	E172 T173 V174 L212 C213	K133-E172 HydrophobicContact CD-CB 4.31Å; K133-E172 WeakPolarHBondContact CD-OE2 3.26Å; K133-E172 WeakPolarHBondContact CE-OE2 3.17Å; K133-E172 IonicContact NZ-OE2 2.7Å; K133-E172 PolarHBondContact NZ-OE2 3.42Å; K133-T173 CarbonylContact C-O 3.59Å; K133-T173 WeakPolarHBondContact CA-O 3.18Å; K133-V174 HydrophobicContact CG-CG2 4.15Å; K133-L212 CarbonylContact O-C 3.56Å; K133-L212 VanDerWaalsContact O-CA 3.27Å; K133-L212 WeakPolarHBondContact O-CA 3.36Å; K133-C213 HydrophobicContact CB-CB 4.3Å; K133-C213 PolarHBondContact N-O 2.92Å; K133-C213 PolarHBondContact O-N 3.23Å
134	V	95	Very high	89	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.7	174.2	-169.5	0	0	0	0	109.4	L148 E172 T173 V175 V181 L184 L210 L212	V134-L148 HydrophobicContact CG1-CD1 4.38Å; V134-E172 WeakPolarHBondContact O-CA 3.48Å; V134-T173 PolarHBondContact N-O 2.86Å; V134-T173 PolarHBondContact O-N 2.81Å; V134-T173 PolarHBondContact O-OG1 3.06Å; V134-V175 HydrophobicContact CG2-CB 4.33Å; V134-V175 HydrophobicContact CG2-CG1 3.7Å; V134-V175 HydrophobicContact CG2-CG2 3.66Å; V134-V181 HydrophobicContact CG1-CG1 4.41Å; V134-V181 HydrophobicContact CG2-CB 4.5Å; V134-V181 HydrophobicContact CG2-CG1 4Å; V134-V181 HydrophobicContact CG2-CG2 3.98Å; V134-L184 HydrophobicContact CB-CD1 4.22Å; V134-L184 HydrophobicContact CG2-CD1 4.36Å; V134-L210 HydrophobicContact CG1-CD1 3.68Å; V134-L212 HydrophobicContact CG2-CG 4.46Å
135	S	93.9	Very high	89.2	Confident	10 Å²	10	41.8 Å²	41.8	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.7	165.5	56.5	0	0	0	0	108.7	T171 T211	S135-T171 WeakPolarHBondContact CB-O 3.44Å; S135-T211 PolarHBondContact N-O 3.32Å; S135-T211 PolarHBondContact O-N 3.07Å; S135-T211 PolarHBondContact OG-O 3.17Å
136	F	94.6	Very high	89.5	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	125.6	-176.6	-167.4	-164.7	0	0	0	109.1	L147 L148 L185 A208 L210	F136-L147 HydrophobicContact CB-CB 4.23Å; F136-L147 HydrophobicContact CD1-CB 4.04Å; F136-L147 HydrophobicContact CD1-CD1 3.9Å; F136-L147 HydrophobicContact CD2-CD1 3.87Å; F136-L147 HydrophobicContact CE1-CD1 3.86Å; F136-L147 HydrophobicContact CE2-CD1 3.86Å; F136-L147 HydrophobicContact CG-CB 4.1Å; F136-L147 HydrophobicContact CG-CD1 3.9Å; F136-L147 HydrophobicContact CZ-CD1 3.84Å; F136-L147 WeakPolarHBondContact O-CB 3.41Å; F136-L147 PolarHBondContact O-N 3.4Å; F136-L148 HydrophobicContact CB-CD1 4.41Å; F136-L148 HydrophobicContact CB-CD2 3.87Å; F136-L148 HydrophobicContact CB-CG 3.88Å; F136-L148 HydrophobicContact CD1-CD2 4.5Å; F136-L185 HydrophobicContact CD1-CD1 4.45Å; F136-L185 HydrophobicContact CE1-CD1 3.68Å; F136-L185 HydrophobicContact CZ-CD1 3.82Å; F136-A208 HydrophobicContact CE2-CB 3.94Å; F136-A208 HydrophobicContact CZ-CB 4.45Å; F136-L210 HydrophobicContact CB-CD1 3.87Å; F136-L210 HydrophobicContact CD1-CD1 4.38Å; F136-L210 HydrophobicContact CD2-CB 3.79Å; F136-L210 HydrophobicContact CD2-CD1 4.08Å; F136-L210 HydrophobicContact CE2-CB 4Å; F136-L210 HydrophobicContact CG-CB 4.46Å; F136-L210 HydrophobicContact CG-CD1 3.89Å
137	L	93.3	Very high	89.8	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.5	-176	66.7	82.1	0	0	0	112.9	I139 I144 H145 I167 L170 A208 I209 L298	L137-I139 HydrophobicContact CD1-CD1 4.48Å; L137-I139 HydrophobicContact CD1-CG1 3.88Å; L137-I144 HydrophobicContact CB-CG2 4.44Å; L137-I144 HydrophobicContact CD1-CG2 4.26Å; L137-I144 HydrophobicContact CD2-CG2 4.33Å; L137-H145 CarbonylContact C-O 3.08Å; L137-H145 VanDerWaalsContact CA-O 3.24Å; L137-H145 WeakPolarHBondContact CA-O 3.42Å; L137-H145 WeakPolarHBondContact CB-O 3.35Å; L137-I167 HydrophobicContact CD2-CD1 3.45Å; L137-I167 VanDerWaalsContact CD2-CD1 3.45Å; L137-L170 HydrophobicContact CB-CD1 4.15Å; L137-L170 HydrophobicContact CD2-CD1 4.26Å; L137-L170 HydrophobicContact CD2-CD2 4.11Å; L137-A208 WeakPolarHBondContact O-CA 3.48Å; L137-I209 HydrophobicContact CD1-CB 3.77Å; L137-I209 HydrophobicContact CD1-CD1 4.17Å; L137-I209 HydrophobicContact CD1-CG1 4.09Å; L137-I209 HydrophobicContact CG-CB 4.05Å; L137-I209 PolarHBondContact N-O 3.05Å; L137-I209 PolarHBondContact O-N 3.02Å; L137-L298 HydrophobicContact CD1-CD1 4.49Å
138	E	92.1	Very high	90.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.5	176.8	-176.2	-177.4	-158.1	0	0	110.7	I144 H145 L147 K202 S206 H207	E138-I144 CarbonylContact O-C 3.55Å; E138-I144 WeakPolarHBondContact O-CA 3.49Å; E138-H145 HydrophobicContact CB-CB 4.41Å; E138-H145 PolarHBondContact N-O 2.9Å; E138-H145 PolarHBondContact O-N 3.43Å; E138-H145 PolarHBondContact O-ND1 3.19Å; E138-L147 HydrophobicContact CB-CD1 4.12Å; E138-L147 HydrophobicContact CB-CD2 4.02Å; E138-L147 HydrophobicContact CB-CG 4.09Å; E138-K202 VanDerWaalsContact CD-NZ 3.27Å; E138-K202 WeakPolarHBondContact OE1-CD 3.27Å; E138-K202 WeakPolarHBondContact OE1-CE 3.34Å; E138-K202 IonicContact OE1-NZ 3.01Å; E138-K202 PolarHBondContact OE1-NZ 3.13Å; E138-K202 WeakPolarHBondContact OE2-CE 3.45Å; E138-K202 IonicContact OE2-NZ 3.33Å; E138-K202 PolarHBondContact OE2-NZ 3.16Å; E138-S206 WeakPolarHBondContact OE1-CB 3.26Å; E138-S206 PolarHBondContact OE1-OG 3.33Å; E138-H207 CarbonylContact C-O 3.44Å; E138-H207 WeakPolarHBondContact CA-O 3.42Å
139	I	91.5	Very high	90.1	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.3	170.1	-43.2	177.2	0	0	0	108.4	L137 D143 I144 S206 H207 I209 L295 L298	L137-I139 HydrophobicContact CD1-CD1 4.48Å; L137-I139 HydrophobicContact CD1-CG1 3.88Å; I139-D143 WeakPolarHBondContact CA-O 3.4Å; I139-I144 HydrophobicContact CG1-CG1 4.48Å; I139-S206 VanDerWaalsContact O-CA 3.31Å; I139-S206 WeakPolarHBondContact O-CA 3.4Å; I139-S206 WeakPolarHBondContact O-CB 3.49Å; I139-H207 HydrophobicContact CB-CB 4.2Å; I139-H207 HydrophobicContact CG1-CB 4.49Å; I139-H207 PolarHBondContact N-O 3.21Å; I139-H207 PolarHBondContact O-N 3.3Å; I139-I209 HydrophobicContact CD1-CD1 3.98Å; I139-L295 HydrophobicContact CD1-CB 4.2Å; I139-L295 HydrophobicContact CD1-CD1 3.97Å; I139-L298 HydrophobicContact CD1-CD1 3.81Å
140	Y	88.6	Confident	89.7	Confident	46 Å²	46	31.2 Å²	31.2	18%	0.18	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125.4	179.5	175.6	-109.1	0	0	0	109	E142 D143 K202 R205 E259	Y140-E142 VanDerWaalsContact C-N 3.31Å; Y140-E142 PolarHBondContact O-N 2.77Å; Y140-D143 PolarHBondContact N-O 3.47Å; Y140-D143 PolarHBondContact O-N 2.77Å; Y140-K202 HydrophobicContact CD2-CG 4.11Å; Y140-K202 HydrophobicContact CE2-CG 4.13Å; Y140-K202 HydrophobicContact CG-CG 4.5Å; Y140-R205 HydrophobicContact CD2-CB 4.43Å; Y140-R205 HydrophobicContact CE2-CB 4.09Å; Y140-E259 VanDerWaalsContact OH-CD 3.3Å; Y140-E259 PolarHBondContact OH-OE1 3.5Å; Y140-E259 PolarHBondContact OH-OE2 2.97Å
141	K	83.8	Confident	89	Confident	74 Å²	74	34.1 Å²	34.1	32%	0.322	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	44.9	-173.9	-62.2	-180	174.3	171.9	0	113.6	D143 E259 D262	K141-D143 PolarHBondContact O-N 2.92Å; K141-E259 VanDerWaalsContact CE-OE2 3.24Å; K141-E259 WeakPolarHBondContact CE-OE2 3.19Å; K141-E259 IonicContact NZ-OE2 3.91Å; K141-E259 PolarHBondContact NZ-OE2 2.93Å; K141-D262 HydrophobicContact CB-CB 4.29Å; K141-D262 HydrophobicContact CG-CB 4.22Å
142	E	86.7	Confident	88.2	Confident	30 Å²	30	33.9 Å²	33.9	14%	0.14	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-3.3	-173	-62.9	-68.4	146	0	0	116.5	Y140 R265 G266 S293 R294	Y140-E142 VanDerWaalsContact C-N 3.31Å; Y140-E142 PolarHBondContact O-N 2.77Å; E142-R265 HydrophobicContact CG-CG 4.44Å; E142-G266 WeakPolarHBondContact OE1-CA 3.46Å; E142-G266 PolarHBondContact OE1-N 2.81Å; E142-S293 WeakPolarHBondContact OE1-CB 3.39Å; E142-S293 VanDerWaalsContact OE2-CA 3.24Å; E142-S293 WeakPolarHBondContact OE2-CA 3.44Å; E142-S293 WeakPolarHBondContact OE2-CB 3.21Å; E142-R294 WeakPolarHBondContact O-CG 3.48Å; E142-R294 PolarHBondContact OE2-N 2.96Å
143	D	88.5	Confident	87.2	Confident	74 Å²	74	38.1 Å²	38.1	40%	0.396	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.9	172.6	-83	-48	0	0	0	111.5	I139 Y140 K141 H145 S155	I139-D143 WeakPolarHBondContact CA-O 3.4Å; Y140-D143 PolarHBondContact N-O 3.47Å; Y140-D143 PolarHBondContact O-N 2.77Å; K141-D143 PolarHBondContact O-N 2.92Å; D143-H145 PolarHBondContact O-CE1 3.42Å; D143-H145 PolarHBondContact O-ND1 2.67Å; D143-S155 WeakPolarHBondContact OD1-CB 3.4Å; D143-S155 PolarHBondContact OD1-OG 3.1Å
144	I	91.3	Very high	86.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.2	-177.5	-58.5	169.8	0	0	0	109.2	L137 E138 I139 S155 L156 I158 I167 R294 L298	L137-I144 HydrophobicContact CB-CG2 4.44Å; L137-I144 HydrophobicContact CD1-CG2 4.26Å; L137-I144 HydrophobicContact CD2-CG2 4.33Å; E138-I144 CarbonylContact O-C 3.55Å; E138-I144 WeakPolarHBondContact O-CA 3.49Å; I139-I144 HydrophobicContact CG1-CG1 4.48Å; I144-S155 CarbonylContact O-C 3.55Å; I144-S155 VanDerWaalsContact O-CA 3.3Å; I144-S155 WeakPolarHBondContact O-CA 3.41Å; I144-L156 HydrophobicContact CB-CB 4.14Å; I144-L156 HydrophobicContact CG2-CB 3.98Å; I144-L156 PolarHBondContact O-N 2.92Å; I144-I158 HydrophobicContact CD1-CD1 3.8Å; I144-I158 HydrophobicContact CD1-CG1 3.39Å; I144-I167 HydrophobicContact CG2-CD1 4.39Å; I144-R294 HydrophobicContact CD1-CB 4.2Å; I144-R294 HydrophobicContact CD1-CG 4.34Å; I144-R294 HydrophobicContact CG1-CB 4.34Å; I144-R294 HydrophobicContact CG1-CG 4.45Å; I144-L298 HydrophobicContact CD1-CD1 4.2Å
145	H	91	Very high	85.9	Confident	25 Å²	25	39.8 Å²	39.8	12%	0.116	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.9	-176.6	-52.2	78.4	0	0	0	109.7	L137 E138 D143 V152	L137-H145 CarbonylContact C-O 3.08Å; L137-H145 VanDerWaalsContact CA-O 3.24Å; L137-H145 WeakPolarHBondContact CA-O 3.42Å; L137-H145 WeakPolarHBondContact CB-O 3.35Å; E138-H145 HydrophobicContact CB-CB 4.41Å; E138-H145 PolarHBondContact N-O 2.9Å; E138-H145 PolarHBondContact O-N 3.43Å; E138-H145 PolarHBondContact O-ND1 3.19Å; D143-H145 PolarHBondContact O-CE1 3.42Å; D143-H145 PolarHBondContact O-ND1 2.67Å; H145-V152 PolarHBondContact CD2-O 2.97Å
146	D	92.4	Very high	85.5	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123	176	-169.3	-22.1	0	0	0	110.2	L148 G149 L156 L170 T171	D146-L148 WeakPolarHBondContact OD1-CA 3.31Å; D146-L148 PolarHBondContact OD1-N 3.03Å; D146-G149 VanDerWaalsContact CG-N 3.31Å; D146-G149 PolarHBondContact OD1-N 3.39Å; D146-L156 HydrophobicContact CB-CD1 4.03Å; D146-L170 HydrophobicContact CB-CD1 4.43Å; D146-T171 WeakPolarHBondContact OD2-CB 3.36Å; D146-T171 PolarHBondContact OD2-N 3.42Å; D146-T171 PolarHBondContact OD2-OG1 3.47Å
147	L	90.7	Very high	85.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-89.3	-15.7	177.6	-63.2	177.3	0	0	0	112.7	F136 E138 V152 K191 R192	F136-L147 HydrophobicContact CB-CB 4.23Å; F136-L147 HydrophobicContact CD1-CB 4.04Å; F136-L147 HydrophobicContact CD1-CD1 3.9Å; F136-L147 HydrophobicContact CD2-CD1 3.87Å; F136-L147 HydrophobicContact CE1-CD1 3.86Å; F136-L147 HydrophobicContact CE2-CD1 3.86Å; F136-L147 HydrophobicContact CG-CB 4.1Å; F136-L147 HydrophobicContact CG-CD1 3.9Å; F136-L147 HydrophobicContact CZ-CD1 3.84Å; F136-L147 WeakPolarHBondContact O-CB 3.41Å; F136-L147 PolarHBondContact O-N 3.4Å; E138-L147 HydrophobicContact CB-CD1 4.12Å; E138-L147 HydrophobicContact CB-CD2 4.02Å; E138-L147 HydrophobicContact CB-CG 4.09Å; L147-V152 HydrophobicContact CD2-CG1 4.14Å; L147-K191 HydrophobicContact CD2-CB 4.3Å; L147-K191 WeakPolarHBondContact O-CD 3.32Å; L147-K191 PolarHBondContact O-NZ 3.34Å; L147-R192 HydrophobicContact CD1-CB 4.35Å; L147-R192 HydrophobicContact CD2-CB 4.2Å
148	L	89.8	Confident	84.8	Confident	23 Å²	23	47.8 Å²	47.8	12%	0.12	26%	0.256	C	S	.	.	S	Bend	trans	-92.4	-37.4	174.5	-57.2	-169.3	0	0	0	111.7	V134 F136 D146 T171 T173 L184 K191	V134-L148 HydrophobicContact CG1-CD1 4.38Å; F136-L148 HydrophobicContact CB-CD1 4.41Å; F136-L148 HydrophobicContact CB-CD2 3.87Å; F136-L148 HydrophobicContact CB-CG 3.88Å; F136-L148 HydrophobicContact CD1-CD2 4.5Å; D146-L148 WeakPolarHBondContact OD1-CA 3.31Å; D146-L148 PolarHBondContact OD1-N 3.03Å; L148-T171 HydrophobicContact CB-CG2 4.12Å; L148-T173 HydrophobicContact CD1-CG2 4.37Å; L148-L184 HydrophobicContact CD1-CD2 4.45Å; L148-L184 HydrophobicContact CD2-CB 4.13Å; L148-L184 HydrophobicContact CD2-CD2 4.13Å; L148-K191 VanDerWaalsContact C-NZ 3.33Å; L148-K191 PolarHBondContact O-NZ 3.04Å
149	G	83.1	Confident	84.3	Confident	9 Å²	9	55.7 Å²	55.7	9%	0.093	29%	0.286	C	S	.	.	S	Bend	trans	-59.7	163.9	179.9	0	0	0	0	0	115.6	D146 T171 K191	D146-G149 VanDerWaalsContact CG-N 3.31Å; D146-G149 PolarHBondContact OD1-N 3.39Å; G149-T171 WeakPolarHBondContact CA-OG1 3.4Å; G149-T171 PolarHBondContact N-OG1 3.29Å; G149-K191 PolarHBondContact O-NZ 3.25Å
150	E	76.3	Confident	83.5	Confident	203 Å²	203	58.5 Å²	58.5	95%	0.949	30%	0.299	S	S	*	.	S	Bend	trans	-69.3	-45.4	-179.2	-64	-178.5	174.4	0	0	112.5	V152	E150-V152 PolarHBondContact O-N 2.9Å
151	D	73	Confident	82.5	Confident	95 Å²	95	60.3 Å²	60.3	51%	0.508	31%	0.309	S	S	.	.			trans	-98.7	85.7	178.4	-170	-0.7	0	0	0	111.9	S153 A154	D151-S153 PolarHBondContact O-N 2.7Å; D151-S153 VanDerWaalsContact O-N 3.11Å; D151-S153 WeakPolarHBondContact OD1-CA 3.48Å; D151-S153 VanDerWaalsContact OD1-CB 3.25Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 2.89Å; D151-A154 HydrophobicContact CB-CB 4.35Å; D151-A154 PolarHBondContact O-N 3.12Å; D151-A154 PolarHBondContact OD1-N 3.44Å
152	V	72.1	Confident	81.6	Confident	31 Å²	31	64.4 Å²	64.4	19%	0.188	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.4	174.2	-169.1	0	0	0	0	112.3	H145 L147 E150 K191	H145-V152 PolarHBondContact CD2-O 2.97Å; L147-V152 HydrophobicContact CD2-CG1 4.14Å; E150-V152 PolarHBondContact O-N 2.9Å; V152-K191 HydrophobicContact CG2-CB 4.31Å; V152-K191 HydrophobicContact CG2-CD 3.71Å; V152-K191 HydrophobicContact CG2-CG 4.08Å
153	S	70.2	Confident	80.4	Confident	94 Å²	94	71 Å²	71	66%	0.657	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8	179.1	-48.3	0	0	0	0	113.5	D151	D151-S153 PolarHBondContact O-N 2.7Å; D151-S153 VanDerWaalsContact O-N 3.11Å; D151-S153 WeakPolarHBondContact OD1-CA 3.48Å; D151-S153 VanDerWaalsContact OD1-CB 3.25Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 2.89Å
154	A	76.2	Confident	79.5	Confident	37 Å²	37	71 Å²	71	31%	0.306	37%	0.365	S	S	.	.	S	Bend	trans	-81.1	119.2	-179.2	0	0	0	0	0	111.6	D151 L156	D151-A154 HydrophobicContact CB-CB 4.35Å; D151-A154 PolarHBondContact O-N 3.12Å; D151-A154 PolarHBondContact OD1-N 3.44Å; A154-L156 PolarHBondContact O-N 3.48Å
155	S	84	Confident	78.9	Confident	67 Å²	67	71.9 Å²	71.9	47%	0.469	37%	0.371	S	S	.	.			trans	-79.2	115.7	177.6	61.5	0	0	0	0	112.9	D143 I144	D143-S155 WeakPolarHBondContact OD1-CB 3.4Å; D143-S155 PolarHBondContact OD1-OG 3.1Å; I144-S155 CarbonylContact O-C 3.55Å; I144-S155 VanDerWaalsContact O-CA 3.3Å; I144-S155 WeakPolarHBondContact O-CA 3.41Å
156	L	87.4	Confident	78.5	Confident	26 Å²	26	75.2 Å²	75.2	14%	0.136	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-78.5	144.5	-179.9	-99.9	159.6	0	0	0	112	I144 D146 A154 I167 L170	I144-L156 HydrophobicContact CB-CB 4.14Å; I144-L156 HydrophobicContact CG2-CB 3.98Å; I144-L156 PolarHBondContact O-N 2.92Å; D146-L156 HydrophobicContact CB-CD1 4.03Å; A154-L156 PolarHBondContact O-N 3.48Å; L156-I167 HydrophobicContact CB-CG2 3.72Å; L156-I167 HydrophobicContact CD1-CG2 3.84Å; L156-I167 HydrophobicContact CG-CG2 3.8Å; L156-L170 HydrophobicContact CD1-CB 4.12Å; L156-L170 HydrophobicContact CD1-CD1 4.14Å
157	Q	86.1	Confident	78.3	Confident	146 Å²	146	76.2 Å²	76.2	68%	0.682	39%	0.39	S	S	*	.			trans	-107.1	127.3	-178.8	-62.1	-169.2	12.6	0	0	112.3	R159 P168	Q157-R159 PolarHBondContact O-N 3.14Å; Q157-P168 WeakPolarHBondContact O-CD 3.46Å
158	I	85.5	Confident	77.8	Confident	13 Å²	13	79.8 Å²	79.8	7%	0.067	41%	0.413	C	S	.	.			trans	-69.4	122.4	171.6	-53.5	-178.2	0	0	0	111	I144 V165 R294 R297 L298	I144-I158 HydrophobicContact CD1-CD1 3.8Å; I144-I158 HydrophobicContact CD1-CG1 3.39Å; I158-V165 HydrophobicContact CG2-CG1 3.41Å; I158-V165 VanDerWaalsContact CG2-CG1 3.41Å; I158-R294 HydrophobicContact CD1-CB 3.94Å; I158-R294 HydrophobicContact CD1-CG 4.37Å; I158-R297 HydrophobicContact CD1-CB 3.84Å; I158-R297 PolarHBondContact O-NH2 3.39Å; I158-L298 HydrophobicContact CD1-CD1 4.26Å; I158-L298 HydrophobicContact CD1-CD2 4Å; I158-L298 HydrophobicContact CD1-CG 3.79Å; I158-L298 HydrophobicContact CG1-CD2 4.35Å
159	R	83.2	Confident	77.5	Confident	165 Å²	165	81.8 Å²	81.8	62%	0.623	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.5	168.6	-171	171	179.7	164.2	-1.7	110.2	Q157 K166 P168	Q157-R159 PolarHBondContact O-N 3.14Å; R159-K166 PolarHBondContact N-O 2.84Å; R159-K166 PolarHBondContact O-N 3.13Å; R159-P168 HydrophobicContact CB-CG 4.27Å
160	E	74.3	Confident	77.7	Confident	62 Å²	62	83 Å²	83	29%	0.29	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.6	172	-73.9	161.2	-145.9	0	0	108.5	L164 R291 R297	E160-L164 WeakPolarHBondContact CA-O 3.43Å; E160-R291 IonicContact OE1-NE 2.66Å; E160-R291 PolarHBondContact OE1-NE 3.41Å; E160-R291 IonicContact OE2-CZ 2.7Å; E160-R291 IonicContact OE2-NE 3.28Å; E160-R291 PolarHBondContact OE2-NE 3.21Å; E160-R291 IonicContact OE2-NH2 2.7Å; E160-R291 PolarHBondContact OE2-NH2 3.3Å; E160-R297 IonicContact OE1-CZ 3.14Å; E160-R297 IonicContact OE1-NE 3.2Å; E160-R297 PolarHBondContact OE1-NE 3.19Å; E160-R297 IonicContact OE1-NH2 2.64Å; E160-R297 PolarHBondContact OE1-NH2 3.39Å
161	E	68	Low	78.4	Confident	84 Å²	84	75.7 Å²	75.7	39%	0.393	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	119.7	179.9	-178.3	173.1	-118.3	0	0	108.7	Q163 L164 K166	E161-Q163 PolarHBondContact O-N 2.92Å; E161-L164 PolarHBondContact N-O 2.69Å; E161-L164 WeakPolarHBondContact O-CA 3.35Å; E161-L164 WeakPolarHBondContact O-CB 3.45Å; E161-L164 PolarHBondContact O-N 3.21Å; E161-K166 WeakPolarHBondContact OE2-CD 3.37Å; E161-K166 WeakPolarHBondContact OE2-CE 3.28Å; E161-K166 IonicContact OE2-NZ 3.95Å; E161-K166 PolarHBondContact OE2-NZ 3.46Å
162	N	63.1	Low	79.3	Confident	161 Å²	161	76.3 Å²	76.3	86%	0.861	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.1	-174	-60.4	-12.9	0	0	0	113.6	L164	N162-L164 PolarHBondContact O-N 3.13Å; N162-L164 VanDerWaalsContact O-N 3.11Å
163	Q	62.1	Low	80.1	Confident	168 Å²	168	76.7 Å²	76.7	79%	0.785	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	-8.4	-171.1	-50.3	-174.6	20.6	0	0	115.8	E161	E161-Q163 PolarHBondContact O-N 2.92Å
164	L	68.9	Low	81	Confident	74 Å²	74	76.1 Å²	76.1	39%	0.387	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.9	173.9	-136.1	75.8	0	0	0	111	E160 E161 N162	E160-L164 WeakPolarHBondContact CA-O 3.43Å; E161-L164 PolarHBondContact N-O 2.69Å; E161-L164 WeakPolarHBondContact O-CA 3.35Å; E161-L164 WeakPolarHBondContact O-CB 3.45Å; E161-L164 PolarHBondContact O-N 3.21Å; N162-L164 PolarHBondContact O-N 3.13Å; N162-L164 VanDerWaalsContact O-N 3.11Å
165	V	80.2	Confident	81.7	Confident	20 Å²	20	74.8 Å²	74.8	12%	0.121	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.9	-177.2	-175.1	0	0	0	0	109.8	I158 L298	I158-V165 HydrophobicContact CG2-CG1 3.41Å; I158-V165 VanDerWaalsContact CG2-CG1 3.41Å; V165-L298 HydrophobicContact CG1-CD2 3.89Å
166	K	81.6	Confident	81.9	Confident	95 Å²	95	76.9 Å²	76.9	41%	0.413	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.3	-179	-65.7	-175.2	-178.8	178.4	0	111	R159 E161 P168	R159-K166 PolarHBondContact N-O 2.84Å; R159-K166 PolarHBondContact O-N 3.13Å; E161-K166 WeakPolarHBondContact OE2-CD 3.37Å; E161-K166 WeakPolarHBondContact OE2-CE 3.28Å; E161-K166 IonicContact OE2-NZ 3.95Å; E161-K166 PolarHBondContact OE2-NZ 3.46Å; K166-P168 WeakPolarHBondContact O-CD 3.05Å
167	I	87.6	Confident	81.8	Confident	27 Å²	27	77 Å²	77	14%	0.138	41%	0.409	C	S	.	.			trans	-110.5	93.8	175.3	-53	175.7	0	0	0	108.7	L137 I144 L156 G169 L170 L298	L137-I167 HydrophobicContact CD2-CD1 3.45Å; L137-I167 VanDerWaalsContact CD2-CD1 3.45Å; I144-I167 HydrophobicContact CG2-CD1 4.39Å; L156-I167 HydrophobicContact CB-CG2 3.72Å; L156-I167 HydrophobicContact CD1-CG2 3.84Å; L156-I167 HydrophobicContact CG-CG2 3.8Å; I167-G169 PolarHBondContact O-N 2.94Å; I167-L170 HydrophobicContact CB-CB 4.13Å; I167-L170 HydrophobicContact CB-CD2 4.46Å; I167-L170 HydrophobicContact CD1-CD2 4.36Å; I167-L170 HydrophobicContact CG2-CB 4.08Å; I167-L170 PolarHBondContact O-N 3.42Å; I167-L298 HydrophobicContact CD1-CD1 4.24Å; I167-L298 HydrophobicContact CD1-CD2 3.72Å; I167-L298 HydrophobicContact CG1-CD2 4.02Å
168	P	81.8	Confident	82	Confident	76 Å²	76	71.4 Å²	71.4	49%	0.494	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	131.9	171.2	25.6	-35.2	0	0	0	110.8	Q157 R159 K166	Q157-P168 WeakPolarHBondContact O-CD 3.46Å; R159-P168 HydrophobicContact CB-CG 4.27Å; K166-P168 WeakPolarHBondContact O-CD 3.05Å
169	G	82.8	Confident	82.2	Confident	65 Å²	65	76.6 Å²	76.6	67%	0.67	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-2.7	-179.2	0	0	0	0	0	115.4	I167	I167-G169 PolarHBondContact O-N 2.94Å
170	L	88.3	Confident	82.5	Confident	35 Å²	35	72.5 Å²	72.5	18%	0.183	40%	0.397	C	S	.	.			trans	-71.7	133.5	170.4	-178.1	65.9	0	0	0	110.9	L137 D146 L156 I167 E172	L137-L170 HydrophobicContact CB-CD1 4.15Å; L137-L170 HydrophobicContact CD2-CD1 4.26Å; L137-L170 HydrophobicContact CD2-CD2 4.11Å; D146-L170 HydrophobicContact CB-CD1 4.43Å; L156-L170 HydrophobicContact CD1-CB 4.12Å; L156-L170 HydrophobicContact CD1-CD1 4.14Å; I167-L170 HydrophobicContact CB-CB 4.13Å; I167-L170 HydrophobicContact CB-CD2 4.46Å; I167-L170 HydrophobicContact CD1-CD2 4.36Å; I167-L170 HydrophobicContact CG2-CB 4.08Å; I167-L170 PolarHBondContact O-N 3.42Å; L170-E172 PolarHBondContact O-N 3.37Å
171	T	89.8	Confident	83.3	Confident	48 Å²	48	69.5 Å²	69.5	29%	0.294	38%	0.383	S	S	.	.			trans	-74.8	116.3	178.2	-54.2	0	0	0	0	110.7	S135 D146 L148 G149 T173	S135-T171 WeakPolarHBondContact CB-O 3.44Å; D146-T171 WeakPolarHBondContact OD2-CB 3.36Å; D146-T171 PolarHBondContact OD2-N 3.42Å; D146-T171 PolarHBondContact OD2-OG1 3.47Å; L148-T171 HydrophobicContact CB-CG2 4.12Å; G149-T171 WeakPolarHBondContact CA-OG1 3.4Å; G149-T171 PolarHBondContact N-OG1 3.29Å; T171-T173 HydrophobicContact CG2-CG2 4.27Å
172	E	91.1	Very high	84.4	Confident	108 Å²	108	68 Å²	68	51%	0.505	38%	0.377	S	S	.	.			trans	-104	109.2	169.8	-66.5	-177.5	162.6	0	0	109.6	K133 V134 L170	K133-E172 HydrophobicContact CD-CB 4.31Å; K133-E172 WeakPolarHBondContact CD-OE2 3.26Å; K133-E172 WeakPolarHBondContact CE-OE2 3.17Å; K133-E172 IonicContact NZ-OE2 2.7Å; K133-E172 PolarHBondContact NZ-OE2 3.42Å; V134-E172 WeakPolarHBondContact O-CA 3.48Å; L170-E172 PolarHBondContact O-N 3.37Å
173	T	89.4	Confident	85.6	Confident	39 Å²	39	68 Å²	68	24%	0.239	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.4	172.2	50.6	0	0	0	0	110.2	K133 V134 L148 T171 L184	K133-T173 CarbonylContact C-O 3.59Å; K133-T173 WeakPolarHBondContact CA-O 3.18Å; V134-T173 PolarHBondContact N-O 2.86Å; V134-T173 PolarHBondContact O-N 2.81Å; V134-T173 PolarHBondContact O-OG1 3.06Å; L148-T173 HydrophobicContact CD1-CG2 4.37Å; T171-T173 HydrophobicContact CG2-CG2 4.27Å; T173-L184 HydrophobicContact CG2-CD2 4.24Å; T173-L184 VanDerWaalsContact OG1-CD1 3.23Å; T173-L184 WeakPolarHBondContact OG1-CD1 3.27Å
174	V	90.5	Very high	87	Confident	83 Å²	83	61.4 Å²	61.4	50%	0.503	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.8	169.2	179.3	0	0	0	0	108.1	T131 V132 K133	T131-V174 HydrophobicContact CG2-CG1 4.41Å; V132-V174 WeakPolarHBondContact O-CA 3.31Å; K133-V174 HydrophobicContact CG-CG2 4.15Å
175	V	90.4	Very high	88	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.048	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154	-179.1	-63.4	0	0	0	0	110.9	F120 V132 V134 E180 V181 L184	F120-V175 HydrophobicContact CZ-CG2 4.14Å; V132-V175 HydrophobicContact CB-CG2 3.67Å; V132-V175 HydrophobicContact CG1-CG2 3.6Å; V132-V175 PolarHBondContact O-N 3.4Å; V132-V175 VanDerWaalsContact O-N 3.07Å; V134-V175 HydrophobicContact CG2-CB 4.33Å; V134-V175 HydrophobicContact CG2-CG1 3.7Å; V134-V175 HydrophobicContact CG2-CG2 3.66Å; V175-E180 HydrophobicContact CB-CB 4.29Å; V175-E180 HydrophobicContact CG1-CB 4.13Å; V175-V181 HydrophobicContact CB-CG2 4.14Å; V175-V181 HydrophobicContact CG1-CG2 4.27Å; V175-V181 HydrophobicContact CG2-CG2 3.76Å; V175-L184 HydrophobicContact CG1-CD1 3.63Å
176	T	87	Confident	88.3	Confident	111 Å²	111	59.7 Å²	59.7	68%	0.681	33%	0.325	S	S	*	.	S	Bend	trans	-127.1	-26.5	-174.4	63.6	0	0	0	0	112.9	F120 E180	F120-T176 WeakPolarHBondContact CE1-O 3.14Å; T176-E180 WeakPolarHBondContact CA-OE2 3.39Å; T176-E180 PolarHBondContact N-OE2 2.97Å; T176-E180 PolarHBondContact OG1-OE2 3.42Å
177	S	87.2	Confident	88.6	Confident	29 Å²	29	56.9 Å²	56.9	20%	0.203	32%	0.317	C	S	.	.	S	Bend	trans	-122.4	157.2	177.9	105.7	0	0	0	0	112.5	E179 E180	S177-E179 VanDerWaalsContact C-N 3.31Å; S177-E179 WeakPolarHBondContact CB-OE2 3.43Å; S177-E179 PolarHBondContact OG-N 3.41Å; S177-E179 PolarHBondContact OG-OE2 2.94Å; S177-E180 PolarHBondContact N-OE2 3.05Å; S177-E180 PolarHBondContact O-N 3.31Å; S177-E180 PolarHBondContact OG-N 3.19Å
178	P	89.2	Confident	88.6	Confident	28 Å²	28	55.6 Å²	55.6	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-34.1	173.1	24.5	-30.2	0	0	0	112.3	I116 F120 E180 V181 L182	I116-P178 HydrophobicContact CG2-CB 3.59Å; F120-P178 HydrophobicContact CB-CB 4.25Å; F120-P178 HydrophobicContact CB-CG 4.16Å; F120-P178 HydrophobicContact CD2-CB 3.74Å; F120-P178 HydrophobicContact CD2-CG 4.42Å; F120-P178 HydrophobicContact CE2-CB 4.34Å; F120-P178 HydrophobicContact CG-CB 4.11Å; F120-P178 HydrophobicContact CG-CG 4.3Å; P178-E180 VanDerWaalsContact C-N 3.33Å; P178-E180 PolarHBondContact O-N 2.81Å; P178-V181 WeakPolarHBondContact O-CB 3.46Å; P178-V181 PolarHBondContact O-N 3.22Å; P178-V181 VanDerWaalsContact O-N 3.12Å; P178-L182 WeakPolarHBondContact O-CG 3.35Å; P178-L182 PolarHBondContact O-N 2.7Å
179	E	89.7	Confident	88.7	Confident	122 Å²	122	52.2 Å²	52.2	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-61	-39.6	177.6	-58.1	71.1	-152.8	0	0	111.9	S177 V181 L182 Y183	S177-E179 VanDerWaalsContact C-N 3.31Å; S177-E179 WeakPolarHBondContact CB-OE2 3.43Å; S177-E179 PolarHBondContact OG-N 3.41Å; S177-E179 PolarHBondContact OG-OE2 2.94Å; E179-V181 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 2.87Å; E179-L182 PolarHBondContact O-N 2.7Å; E179-Y183 WeakPolarHBondContact O-CB 3.37Å; E179-Y183 PolarHBondContact O-N 3.1Å
180	E	90.1	Very high	88.7	Confident	79 Å²	79	52.1 Å²	52.1	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-38.1	174.7	-67.5	178.1	136.8	0	0	111.8	V175 T176 S177 P178 L184	V175-E180 HydrophobicContact CB-CB 4.29Å; V175-E180 HydrophobicContact CG1-CB 4.13Å; T176-E180 WeakPolarHBondContact CA-OE2 3.39Å; T176-E180 PolarHBondContact N-OE2 2.97Å; T176-E180 PolarHBondContact OG1-OE2 3.42Å; S177-E180 PolarHBondContact N-OE2 3.05Å; S177-E180 PolarHBondContact O-N 3.31Å; S177-E180 PolarHBondContact OG-N 3.19Å; P178-E180 VanDerWaalsContact C-N 3.33Å; P178-E180 PolarHBondContact O-N 2.81Å; E180-L184 WeakPolarHBondContact O-CB 3.41Å; E180-L184 WeakPolarHBondContact O-CD1 3.41Å; E180-L184 VanDerWaalsContact O-CG 3.23Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 3.03Å
181	V	90.7	Very high	88.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-40	176.6	-168.3	0	0	0	0	111.5	I116 F120 V134 V175 P178 E179 L184 L185 L212	I116-V181 HydrophobicContact CD1-CB 4.12Å; I116-V181 HydrophobicContact CD1-CG1 3.51Å; I116-V181 HydrophobicContact CG1-CB 4.48Å; I116-V181 HydrophobicContact CG1-CG1 3.98Å; I116-V181 HydrophobicContact CG2-CB 4.05Å; I116-V181 HydrophobicContact CG2-CG1 4.46Å; I116-V181 HydrophobicContact CG2-CG2 4.46Å; F120-V181 HydrophobicContact CE2-CG2 3.83Å; F120-V181 HydrophobicContact CZ-CG2 4.1Å; V134-V181 HydrophobicContact CG1-CG1 4.41Å; V134-V181 HydrophobicContact CG2-CB 4.5Å; V134-V181 HydrophobicContact CG2-CG1 4Å; V134-V181 HydrophobicContact CG2-CG2 3.98Å; V175-V181 HydrophobicContact CB-CG2 4.14Å; V175-V181 HydrophobicContact CG1-CG2 4.27Å; V175-V181 HydrophobicContact CG2-CG2 3.76Å; P178-V181 WeakPolarHBondContact O-CB 3.46Å; P178-V181 PolarHBondContact O-N 3.22Å; P178-V181 VanDerWaalsContact O-N 3.12Å; E179-V181 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 2.87Å; V181-L184 PolarHBondContact O-N 2.84Å; V181-L185 VanDerWaalsContact O-CB 3.26Å; V181-L185 WeakPolarHBondContact O-CB 3.26Å; V181-L185 PolarHBondContact O-N 2.89Å; V181-L212 HydrophobicContact CG1-CD2 4.43Å
182	L	90.3	Very high	88.2	Confident	52 Å²	52	51.5 Å²	51.5	27%	0.272	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-38.2	176.8	-63.8	173.8	0	0	0	111.5	I100 P113 I116 P178 E179 L185 H186	I100-L182 HydrophobicContact CD1-CB 4.33Å; I100-L182 HydrophobicContact CD1-CD2 3.76Å; P113-L182 HydrophobicContact CB-CD2 3.69Å; I116-L182 HydrophobicContact CD1-CD2 3.95Å; P178-L182 WeakPolarHBondContact O-CG 3.35Å; P178-L182 PolarHBondContact O-N 2.7Å; E179-L182 PolarHBondContact O-N 2.7Å; L182-L185 PolarHBondContact O-N 2.98Å; L182-H186 WeakPolarHBondContact O-CB 3.24Å; L182-H186 PolarHBondContact O-N 3.36Å
183	Y	89.6	Confident	87	Confident	161 Å²	161	48.6 Å²	48.6	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-50.6	172.9	177.9	-101.8	0	0	0	111.7	E179 L185 H186 C187	E179-Y183 WeakPolarHBondContact O-CB 3.37Å; E179-Y183 PolarHBondContact O-N 3.1Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 3.12Å; Y183-H186 PolarHBondContact O-N 2.8Å; Y183-H186 VanDerWaalsContact O-N 3.15Å; Y183-C187 VanDerWaalsContact CZ-SG 3.54Å; Y183-C187 PolarHBondContact O-N 2.75Å; Y183-C187 PolarHBondContact O-SG 3Å; Y183-C187 VanDerWaalsContact O-SG 3.35Å
184	L	90.9	Very high	85.4	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-38.6	176.5	-71.9	165.7	0	0	0	112.4	V134 L148 T173 V175 E180 V181 G188	V134-L184 HydrophobicContact CB-CD1 4.22Å; V134-L184 HydrophobicContact CG2-CD1 4.36Å; L148-L184 HydrophobicContact CD1-CD2 4.45Å; L148-L184 HydrophobicContact CD2-CB 4.13Å; L148-L184 HydrophobicContact CD2-CD2 4.13Å; T173-L184 HydrophobicContact CG2-CD2 4.24Å; T173-L184 VanDerWaalsContact OG1-CD1 3.23Å; T173-L184 WeakPolarHBondContact OG1-CD1 3.27Å; V175-L184 HydrophobicContact CG1-CD1 3.63Å; E180-L184 WeakPolarHBondContact O-CB 3.41Å; E180-L184 WeakPolarHBondContact O-CD1 3.41Å; E180-L184 VanDerWaalsContact O-CG 3.23Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 3.03Å; V181-L184 PolarHBondContact O-N 2.84Å; L184-G188 PolarHBondContact O-N 3.25Å
185	L	90	Very high	83.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-45.6	173.9	175	56.3	0	0	0	111.9	T98 I100 V112 F136 V181 L182 Y183 G188 S189 L210	T98-L185 HydrophobicContact CG2-CD1 4.24Å; I100-L185 HydrophobicContact CD1-CD2 3.85Å; I100-L185 HydrophobicContact CD1-CG 4.25Å; V112-L185 HydrophobicContact CB-CD2 4.43Å; V112-L185 HydrophobicContact CG1-CD2 3.5Å; F136-L185 HydrophobicContact CD1-CD1 4.45Å; F136-L185 HydrophobicContact CE1-CD1 3.68Å; F136-L185 HydrophobicContact CZ-CD1 3.82Å; V181-L185 VanDerWaalsContact O-CB 3.26Å; V181-L185 WeakPolarHBondContact O-CB 3.26Å; V181-L185 PolarHBondContact O-N 2.89Å; L182-L185 PolarHBondContact O-N 2.98Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 3.12Å; L185-G188 PolarHBondContact O-N 3.28Å; L185-S189 VanDerWaalsContact O-CB 3.28Å; L185-S189 WeakPolarHBondContact O-CB 3.49Å; L185-S189 PolarHBondContact O-N 3.11Å; L185-S189 PolarHBondContact O-OG 2.71Å; L185-L210 HydrophobicContact CD1-CD2 4.31Å
186	H	87.3	Confident	81.3	Confident	57 Å²	57	52.4 Å²	52.4	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-50.9	174.3	176.3	89.1	0	0	0	111.1	I100 L182 Y183 G188 S189 T190	I100-H186 PolarHBondContact O-ND1 3.33Å; L182-H186 WeakPolarHBondContact O-CB 3.24Å; L182-H186 PolarHBondContact O-N 3.36Å; Y183-H186 PolarHBondContact O-N 2.8Å; Y183-H186 VanDerWaalsContact O-N 3.15Å; H186-G188 VanDerWaalsContact C-N 3.34Å; H186-G188 PolarHBondContact O-N 3.44Å; H186-S189 PolarHBondContact O-N 3.47Å; H186-T190 PolarHBondContact NE2-OG1 2.82Å; H186-T190 WeakPolarHBondContact O-CB 3.38Å; H186-T190 PolarHBondContact O-N 2.66Å; H186-T190 PolarHBondContact O-OG1 2.66Å
187	C	86.6	Confident	79	Confident	37 Å²	37	51.7 Å²	51.7	25%	0.25	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-44.3	178.4	-68.2	0	0	0	0	112.6	Y183 T190 K191	Y183-C187 VanDerWaalsContact CZ-SG 3.54Å; Y183-C187 PolarHBondContact O-N 2.75Å; Y183-C187 PolarHBondContact O-SG 3Å; Y183-C187 VanDerWaalsContact O-SG 3.35Å; C187-T190 PolarHBondContact O-N 3.1Å; C187-K191 WeakPolarHBondContact O-CG 3.35Å; C187-K191 PolarHBondContact O-N 3.37Å
188	G	87.6	Confident	76.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-38.5	176.9	0	0	0	0	0	113.5	L184 L185 H186 K191 R192	L184-G188 PolarHBondContact O-N 3.25Å; L185-G188 PolarHBondContact O-N 3.28Å; H186-G188 VanDerWaalsContact C-N 3.34Å; H186-G188 PolarHBondContact O-N 3.44Å; G188-K191 PolarHBondContact O-N 3.14Å; G188-R192 PolarHBondContact O-N 2.92Å
189	S	85.1	Confident	74.3	Confident	5 Å²	5	61.3 Å²	61.3	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-68.1	-34.7	174.7	-77.5	0	0	0	0	112.4	T98 L185 H186 R192 S193	T98-S189 WeakPolarHBondContact O-CB 3.37Å; T98-S189 PolarHBondContact O-OG 3.45Å; L185-S189 VanDerWaalsContact O-CB 3.28Å; L185-S189 WeakPolarHBondContact O-CB 3.49Å; L185-S189 PolarHBondContact O-N 3.11Å; L185-S189 PolarHBondContact O-OG 2.71Å; H186-S189 PolarHBondContact O-N 3.47Å; S189-R192 PolarHBondContact O-N 3.35Å; S189-S193 WeakPolarHBondContact O-CB 3.37Å; S189-S193 PolarHBondContact O-N 3.45Å; S189-S193 PolarHBondContact O-OG 3.02Å
190	T	82.7	Confident	72.1	Confident	62 Å²	62	57.6 Å²	57.6	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-44.8	171.1	-68.7	0	0	0	0	110.6	H186 C187 R192 S193 V194	H186-T190 PolarHBondContact NE2-OG1 2.82Å; H186-T190 WeakPolarHBondContact O-CB 3.38Å; H186-T190 PolarHBondContact O-N 2.66Å; H186-T190 PolarHBondContact O-OG1 2.66Å; C187-T190 PolarHBondContact O-N 3.1Å; T190-R192 PolarHBondContact O-N 2.98Å; T190-S193 PolarHBondContact O-N 2.92Å; T190-S193 VanDerWaalsContact O-N 3.1Å; T190-V194 HydrophobicContact CG2-CG2 4.27Å; T190-V194 WeakPolarHBondContact O-CG2 3.41Å; T190-V194 PolarHBondContact O-N 2.81Å
191	K	84	Confident	70.5	Confident	67 Å²	67	59.1 Å²	59.1	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-43.6	172.3	-74.9	164.9	169.7	-171.4	0	113.2	L147 L148 G149 V152 C187 G188 S193	L147-K191 HydrophobicContact CD2-CB 4.3Å; L147-K191 WeakPolarHBondContact O-CD 3.32Å; L147-K191 PolarHBondContact O-NZ 3.34Å; L148-K191 VanDerWaalsContact C-NZ 3.33Å; L148-K191 PolarHBondContact O-NZ 3.04Å; G149-K191 PolarHBondContact O-NZ 3.25Å; V152-K191 HydrophobicContact CG2-CB 4.31Å; V152-K191 HydrophobicContact CG2-CD 3.71Å; V152-K191 HydrophobicContact CG2-CG 4.08Å; C187-K191 WeakPolarHBondContact O-CG 3.35Å; C187-K191 PolarHBondContact O-N 3.37Å; G188-K191 PolarHBondContact O-N 3.14Å; K191-S193 PolarHBondContact O-N 3.36Å
192	R	83.7	Confident	69.3	Low	3 Å²	3	60.1 Å²	60.1	1%	0.011	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-36	172.6	-172.2	-175	-178.5	-162.5	6.1	111.5	L147 G188 S189 T190 S203 S206 D240	L147-R192 HydrophobicContact CD1-CB 4.35Å; L147-R192 HydrophobicContact CD2-CB 4.2Å; G188-R192 PolarHBondContact O-N 2.92Å; S189-R192 PolarHBondContact O-N 3.35Å; T190-R192 PolarHBondContact O-N 2.98Å; R192-S203 PolarHBondContact NH2-O 3.01Å; R192-S206 PolarHBondContact NE-OG 3.27Å; R192-S206 PolarHBondContact NH2-O 3.46Å; R192-D240 IonicContact CZ-OD2 2.68Å; R192-D240 IonicContact NH1-OD2 3.51Å; R192-D240 PolarHBondContact NH1-OD2 3.14Å; R192-D240 IonicContact NH2-OD2 3.39Å; R192-D240 PolarHBondContact NH2-OD2 2.94Å
193	S	65.2	Low	68.5	Low	47 Å²	47	59.1 Å²	59.1	33%	0.329	34%	0.34	S	S	.	.	H	α-helix	trans	-83.5	-39	-176	-55.9	0	0	0	0	113.7	S189 T190 K191 A195 S196	S189-S193 WeakPolarHBondContact O-CB 3.37Å; S189-S193 PolarHBondContact O-N 3.45Å; S189-S193 PolarHBondContact O-OG 3.02Å; T190-S193 PolarHBondContact O-N 2.92Å; T190-S193 VanDerWaalsContact O-N 3.1Å; K191-S193 PolarHBondContact O-N 3.36Å; S193-A195 PolarHBondContact O-N 3.43Å; S193-S196 WeakPolarHBondContact O-CB 3.43Å; S193-S196 PolarHBondContact O-N 3.11Å; S193-S196 PolarHBondContact O-OG 2.68Å
194	V	56.8	Low	68	Low	118 Å²	118	52.8 Å²	52.8	72%	0.715	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-27.4	178.4	169.7	0	0	0	0	111.9	T190 S196	T190-V194 HydrophobicContact CG2-CG2 4.27Å; T190-V194 WeakPolarHBondContact O-CG2 3.41Å; T190-V194 PolarHBondContact O-N 2.81Å; V194-S196 PolarHBondContact O-N 2.88Å
195	A	53.3	Low	67.6	Low	55 Å²	55	54.5 Å²	54.5	46%	0.455	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4.2	171.5	0	0	0	0	0	114.2	S193 K202	S193-A195 PolarHBondContact O-N 3.43Å; A195-K202 HydrophobicContact CB-CD 3.54Å
196	S	40.6	Very low	67.6	Low	38 Å²	38	54.5 Å²	54.5	27%	0.266	32%	0.324	S	S	.	.			trans	-97.7	107.4	169.2	65.5	0	0	0	0	111.3	S193 V194 N200	S193-S196 WeakPolarHBondContact O-CB 3.43Å; S193-S196 PolarHBondContact O-N 3.11Å; S193-S196 PolarHBondContact O-OG 2.68Å; V194-S196 PolarHBondContact O-N 2.88Å; S196-N200 VanDerWaalsContact CB-O 3.28Å; S196-N200 WeakPolarHBondContact CB-O 3.38Å
197	T	39.8	Very low	67.8	Low	96 Å²	96	52.1 Å²	52.1	59%	0.589	31%	0.313	S	S	*	.			trans	-70	152.1	158.7	56.9	0	0	0	0	108.9	M199 N200	T197-M199 PolarHBondContact O-N 3.24Å; T197-N200 CarbonylContact O-C 3.25Å; T197-N200 PolarHBondContact O-N 2.9Å
198	A	37.8	Very low	68	Low	112 Å²	112	50.4 Å²	50.4	93%	0.926	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.2	-175.9	0	0	0	0	0	115.1
199	M	38.5	Very low	68.4	Low	146 Å²	146	50.7 Å²	50.7	72%	0.719	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-16.9	176.4	-171.9	172.5	-77.7	0	0	114.4	T197 R256	T197-M199 PolarHBondContact O-N 3.24Å; M199-R256 PolarHBondContact O-NH2 3.25Å
200	N	43.6	Very low	68.8	Low	44 Å²	44	50.5 Å²	50.5	24%	0.235	30%	0.302	C	S	.	.	S	Bend	trans	-147.2	111.6	175.3	-58.8	-68.9	0	0	0	111	S196 T197 K202 R205 R256	S196-N200 VanDerWaalsContact CB-O 3.28Å; S196-N200 WeakPolarHBondContact CB-O 3.38Å; T197-N200 CarbonylContact O-C 3.25Å; T197-N200 PolarHBondContact O-N 2.9Å; N200-K202 PolarHBondContact O-N 2.99Å; N200-R205 PolarHBondContact OD1-NH1 3.4Å; N200-R256 PolarHBondContact OD1-NH2 3.19Å
201	L	57	Low	69.4	Low	112 Å²	112	48.3 Å²	48.3	59%	0.586	29%	0.288	S	S	*	.			trans	-65.7	94	168.4	-78.7	82.5	0	0	0	110	S203 S204	L201-S203 PolarHBondContact O-N 3.42Å; L201-S204 PolarHBondContact O-N 3.49Å; L201-S204 PolarHBondContact O-OG 3.28Å; L201-S204 VanDerWaalsContact O-OG 3.11Å
202	K	64.6	Low	69.9	Low	21 Å²	21	45.1 Å²	45.1	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-36	178.2	-166.1	-168.6	-178.6	-163.5	0	111.7	E138 Y140 A195 N200 S204 R205 S206	E138-K202 VanDerWaalsContact CD-NZ 3.27Å; E138-K202 WeakPolarHBondContact OE1-CD 3.27Å; E138-K202 WeakPolarHBondContact OE1-CE 3.34Å; E138-K202 IonicContact OE1-NZ 3.01Å; E138-K202 PolarHBondContact OE1-NZ 3.13Å; E138-K202 WeakPolarHBondContact OE2-CE 3.45Å; E138-K202 IonicContact OE2-NZ 3.33Å; E138-K202 PolarHBondContact OE2-NZ 3.16Å; Y140-K202 HydrophobicContact CD2-CG 4.11Å; Y140-K202 HydrophobicContact CE2-CG 4.13Å; Y140-K202 HydrophobicContact CG-CG 4.5Å; A195-K202 HydrophobicContact CB-CD 3.54Å; N200-K202 PolarHBondContact O-N 2.99Å; K202-S204 VanDerWaalsContact C-N 3.29Å; K202-S204 PolarHBondContact O-N 3.1Å; K202-R205 CarbonylContact O-C 3.6Å; K202-R205 WeakPolarHBondContact O-CA 3.28Å; K202-R205 WeakPolarHBondContact O-CB 3.48Å; K202-R205 PolarHBondContact O-N 3.43Å; K202-S206 PolarHBondContact O-N 2.92Å; K202-S206 PolarHBondContact O-OG 2.88Å
203	S	73.2	Confident	70.4	Confident	30 Å²	30	46.6 Å²	46.6	21%	0.21	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-29.7	-179.4	53	0	0	0	0	114.7	R192 L201 R205	R192-S203 PolarHBondContact NH2-O 3.01Å; L201-S203 PolarHBondContact O-N 3.42Å; S203-R205 VanDerWaalsContact C-N 3.33Å
204	S	79.5	Confident	71.6	Confident	29 Å²	29	44.4 Å²	44.4	20%	0.203	27%	0.269	C	S	.	.	H	α-helix	trans	-82	-15.2	172.7	67.4	0	0	0	0	113.4	T88 L201 K202 A242 G243	T88-S204 WeakPolarHBondContact OG1-CB 3.37Å; L201-S204 PolarHBondContact O-N 3.49Å; L201-S204 PolarHBondContact O-OG 3.28Å; L201-S204 VanDerWaalsContact O-OG 3.11Å; K202-S204 VanDerWaalsContact C-N 3.29Å; K202-S204 PolarHBondContact O-N 3.1Å; S204-A242 CarbonylContact O-C 3.58Å; S204-A242 WeakPolarHBondContact O-CA 3.34Å; S204-G243 PolarHBondContact O-N 2.97Å
205	R	83.4	Confident	73.2	Confident	66 Å²	66	40 Å²	40	25%	0.249	24%	0.242	C	C	.	.	H	α-helix	trans	-104.5	-1.5	-176	-68.9	-173.8	170.7	169.5	9.4	114	Y140 N200 K202 S203 E259 I263	Y140-R205 HydrophobicContact CD2-CB 4.43Å; Y140-R205 HydrophobicContact CE2-CB 4.09Å; N200-R205 PolarHBondContact OD1-NH1 3.4Å; K202-R205 CarbonylContact O-C 3.6Å; K202-R205 WeakPolarHBondContact O-CA 3.28Å; K202-R205 WeakPolarHBondContact O-CB 3.48Å; K202-R205 PolarHBondContact O-N 3.43Å; S203-R205 VanDerWaalsContact C-N 3.33Å; R205-E259 WeakPolarHBondContact CD-OE1 3.29Å; R205-E259 IonicContact CZ-OE1 2.84Å; R205-E259 IonicContact NE-OE1 3.82Å; R205-E259 IonicContact NH1-OE1 2.65Å; R205-E259 PolarHBondContact NH1-OE1 2.7Å; R205-I263 HydrophobicContact CB-CD1 3.61Å; R205-I263 HydrophobicContact CB-CG1 4.27Å; R205-I263 HydrophobicContact CG-CD1 3.68Å; R205-I263 WeakPolarHBondContact O-CG2 3.29Å
206	S	89	Confident	74.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-126.1	145.2	-179	68.8	0	0	0	0	112.4	E138 I139 R192 K202	E138-S206 WeakPolarHBondContact OE1-CB 3.26Å; E138-S206 PolarHBondContact OE1-OG 3.33Å; I139-S206 VanDerWaalsContact O-CA 3.31Å; I139-S206 WeakPolarHBondContact O-CA 3.4Å; I139-S206 WeakPolarHBondContact O-CB 3.49Å; R192-S206 PolarHBondContact NE-OG 3.27Å; R192-S206 PolarHBondContact NH2-O 3.46Å; K202-S206 PolarHBondContact O-N 2.92Å; K202-S206 PolarHBondContact O-OG 2.88Å
207	H	91.4	Very high	76.8	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.032	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.4	171.5	-47.3	-88.7	0	0	0	108.6	E138 I139 D240 L241 A242 L295	E138-H207 CarbonylContact C-O 3.44Å; E138-H207 WeakPolarHBondContact CA-O 3.42Å; I139-H207 HydrophobicContact CB-CB 4.2Å; I139-H207 HydrophobicContact CG1-CB 4.49Å; I139-H207 PolarHBondContact N-O 3.21Å; I139-H207 PolarHBondContact O-N 3.3Å; H207-D240 CarbonylContact C-O 3.41Å; H207-D240 WeakPolarHBondContact CA-O 3.45Å; H207-L241 HydrophobicContact CB-CD2 4.29Å; H207-L241 VanDerWaalsContact ND1-CD2 3.31Å; H207-L241 WeakPolarHBondContact ND1-CD2 3.32Å; H207-A242 PolarHBondContact ND1-N 3.43Å; H207-A242 VanDerWaalsContact ND1-N 3.18Å; H207-L295 HydrophobicContact CB-CD1 4.3Å
208	A	92.2	Very high	78.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	172.5	0	0	0	0	0	110.1	F136 L137 V239 D240	F136-A208 HydrophobicContact CE2-CB 3.94Å; F136-A208 HydrophobicContact CZ-CB 4.45Å; L137-A208 WeakPolarHBondContact O-CA 3.48Å; A208-V239 WeakPolarHBondContact O-CA 3.45Å; A208-D240 PolarHBondContact N-O 3.36Å; A208-D240 PolarHBondContact O-N 2.82Å
209	I	94.7	Very high	80.5	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	102.9	-179.3	-57.3	-174.9	0	0	0	108.2	L137 I139 V239 L295 L298	L137-I209 HydrophobicContact CD1-CB 3.77Å; L137-I209 HydrophobicContact CD1-CD1 4.17Å; L137-I209 HydrophobicContact CD1-CG1 4.09Å; L137-I209 HydrophobicContact CG-CB 4.05Å; L137-I209 PolarHBondContact N-O 3.05Å; L137-I209 PolarHBondContact O-N 3.02Å; I139-I209 HydrophobicContact CD1-CD1 3.98Å; I209-V239 HydrophobicContact CB-CG2 4.46Å; I209-V239 HydrophobicContact CG1-CG1 4.06Å; I209-V239 HydrophobicContact CG1-CG2 4.06Å; I209-V239 HydrophobicContact CG2-CG2 4.13Å; I209-L295 HydrophobicContact CD1-CD1 4.38Å; I209-L298 HydrophobicContact CD1-CB 4.45Å; I209-L298 HydrophobicContact CD1-CD1 4.33Å
210	L	94.8	Very high	81.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.5	167.3	178.7	70.7	0	0	0	107.7	V112 V134 F136 L185 L212 L238	V112-L210 HydrophobicContact CG1-CD2 3.71Å; V134-L210 HydrophobicContact CG1-CD1 3.68Å; F136-L210 HydrophobicContact CB-CD1 3.87Å; F136-L210 HydrophobicContact CD1-CD1 4.38Å; F136-L210 HydrophobicContact CD2-CB 3.79Å; F136-L210 HydrophobicContact CD2-CD1 4.08Å; F136-L210 HydrophobicContact CE2-CB 4Å; F136-L210 HydrophobicContact CG-CB 4.46Å; F136-L210 HydrophobicContact CG-CD1 3.89Å; L185-L210 HydrophobicContact CD1-CD2 4.31Å; L210-L212 HydrophobicContact CD2-CD1 4.09Å; L210-L212 HydrophobicContact CG-CD1 3.96Å; L210-L238 HydrophobicContact CB-CB 4.2Å; L210-L238 HydrophobicContact CD2-CD1 3.97Å; L210-L238 PolarHBondContact N-O 2.79Å; L210-L238 PolarHBondContact O-N 2.98Å
211	T	95.1	Very high	82.3	Confident	15 Å²	15	36 Å²	36	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.8	180	-60.1	0	0	0	0	110.3	S135 L236 H237	S135-T211 PolarHBondContact N-O 3.32Å; S135-T211 PolarHBondContact O-N 3.07Å; S135-T211 PolarHBondContact OG-O 3.17Å; T211-L236 CarbonylContact C-O 3.43Å; T211-L236 VanDerWaalsContact CA-O 3.31Å; T211-L236 WeakPolarHBondContact CA-O 3.46Å; T211-H237 VanDerWaalsContact CG2-CE1 3.41Å; T211-H237 WeakPolarHBondContact CG2-CE1 3.47Å; T211-H237 WeakPolarHBondContact CG2-ND1 3.29Å; T211-H237 PolarHBondContact OG1-ND1 3.47Å
212	L	95	Very high	81.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	168.6	-70.6	76.6	0	0	0	108.5	V132 K133 V134 V181 L210 F214 K235 L236 L238	V132-L212 HydrophobicContact CG1-CD2 4.32Å; K133-L212 CarbonylContact O-C 3.56Å; K133-L212 VanDerWaalsContact O-CA 3.27Å; K133-L212 WeakPolarHBondContact O-CA 3.36Å; V134-L212 HydrophobicContact CG2-CG 4.46Å; V181-L212 HydrophobicContact CG1-CD2 4.43Å; L210-L212 HydrophobicContact CD2-CD1 4.09Å; L210-L212 HydrophobicContact CG-CD1 3.96Å; L212-F214 HydrophobicContact CB-CE1 4.35Å; L212-F214 HydrophobicContact CB-CE2 3.68Å; L212-F214 HydrophobicContact CB-CZ 3.49Å; L212-F214 VanDerWaalsContact CB-CZ 3.49Å; L212-F214 HydrophobicContact CD2-CE1 4.36Å; L212-F214 HydrophobicContact CD2-CZ 3.83Å; L212-F214 HydrophobicContact CG-CZ 4.33Å; L212-K235 WeakPolarHBondContact O-CA 3.46Å; L212-L236 HydrophobicContact CB-CB 4.33Å; L212-L236 PolarHBondContact N-O 3.12Å; L212-L236 PolarHBondContact O-N 2.94Å; L212-L238 HydrophobicContact CD1-CD1 4.07Å
213	C	92.2	Very high	81.2	Confident	35 Å²	35	47.1 Å²	47.1	24%	0.236	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.1	175	-171.4	0	0	0	0	109.3	K133	K133-C213 HydrophobicContact CB-CB 4.3Å; K133-C213 PolarHBondContact N-O 2.92Å; K133-C213 PolarHBondContact O-N 3.23Å
214	F	91.9	Very high	79.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.1	-178.1	-50.6	-90	0	0	0	109.1	I74 L119 M123 V132 L212 L216 T233 A234 L236	I74-F214 HydrophobicContact CG2-CD2 3.44Å; I74-F214 VanDerWaalsContact CG2-CD2 3.44Å; I74-F214 HydrophobicContact CG2-CE2 3.45Å; I74-F214 VanDerWaalsContact CG2-CE2 3.45Å; I74-F214 HydrophobicContact CG2-CG 4.03Å; I74-F214 HydrophobicContact CG2-CZ 4.03Å; L119-F214 HydrophobicContact CD1-CE1 4.17Å; L119-F214 HydrophobicContact CD1-CZ 3.73Å; L119-F214 HydrophobicContact CD2-CZ 4.48Å; M123-F214 HydrophobicContact CE-CD1 3.51Å; M123-F214 HydrophobicContact CE-CE1 3.44Å; M123-F214 VanDerWaalsContact CE-CE1 3.44Å; V132-F214 HydrophobicContact CB-CD1 4.46Å; V132-F214 HydrophobicContact CG1-CD1 4.12Å; V132-F214 HydrophobicContact CG1-CE1 3.81Å; V132-F214 HydrophobicContact CG2-CD1 3.88Å; V132-F214 HydrophobicContact CG2-CE1 4.05Å; L212-F214 HydrophobicContact CB-CE1 4.35Å; L212-F214 HydrophobicContact CB-CE2 3.68Å; L212-F214 HydrophobicContact CB-CZ 3.49Å; L212-F214 VanDerWaalsContact CB-CZ 3.49Å; L212-F214 HydrophobicContact CD2-CE1 4.36Å; L212-F214 HydrophobicContact CD2-CZ 3.83Å; L212-F214 HydrophobicContact CG-CZ 4.33Å; F214-L216 HydrophobicContact CB-CD1 3.76Å; F214-T233 WeakPolarHBondContact O-CA 3.44Å; F214-A234 HydrophobicContact CB-CB 4.39Å; F214-A234 HydrophobicContact CD2-CB 4.29Å; F214-A234 WeakPolarHBondContact CD2-O 3.34Å; F214-A234 PolarHBondContact N-O 3.25Å; F214-A234 PolarHBondContact O-N 3.38Å; F214-L236 HydrophobicContact CE2-CB 3.8Å; F214-L236 HydrophobicContact CZ-CB 4.49Å
215	L	89	Confident	78	Confident	27 Å²	27	53.6 Å²	53.6	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.1	164.2	-176	70.8	0	0	0	107.7	Y130 T131 T231 T233 A347 A355	Y130-L215 CarbonylContact C-O 3.55Å; Y130-L215 WeakPolarHBondContact CA-O 3.31Å; T131-L215 PolarHBondContact N-O 3.14Å; T131-L215 PolarHBondContact O-N 2.91Å; L215-T231 HydrophobicContact CD1-CG2 3.52Å; L215-T231 HydrophobicContact CG-CG2 4.07Å; L215-T233 HydrophobicContact CD1-CG2 3.71Å; L215-A347 HydrophobicContact CD1-CB 4.43Å; L215-A355 HydrophobicContact CD2-CB 3.93Å
216	L	87.9	Confident	76	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.1	-177.9	-68.9	73.1	0	0	0	108.5	L75 Y128 E129 Y130 F214 T231 L232 A234	L75-L216 WeakPolarHBondContact O-CD2 3.33Å; Y128-L216 HydrophobicContact CD1-CB 4.4Å; Y128-L216 HydrophobicContact CD2-CD2 4.15Å; Y128-L216 HydrophobicContact CG-CB 4.13Å; Y128-L216 HydrophobicContact CG-CD2 4.33Å; E129-L216 WeakPolarHBondContact O-CA 3.28Å; Y130-L216 HydrophobicContact CD1-CD1 4.24Å; Y130-L216 HydrophobicContact CD1-CD2 4.43Å; Y130-L216 HydrophobicContact CD1-CG 3.79Å; Y130-L216 HydrophobicContact CE1-CD1 4.19Å; Y130-L216 HydrophobicContact CE1-CD2 3.67Å; Y130-L216 HydrophobicContact CE1-CG 3.52Å; F214-L216 HydrophobicContact CB-CD1 3.76Å; L216-T231 CarbonylContact O-C 3.53Å; L216-T231 WeakPolarHBondContact O-CA 3.34Å; L216-T231 WeakPolarHBondContact O-CG2 3.43Å; L216-L232 HydrophobicContact CB-CB 4.08Å; L216-L232 PolarHBondContact N-O 3.27Å; L216-L232 PolarHBondContact O-N 3.24Å; L216-A234 HydrophobicContact CD1-CB 4.36Å
217	R	82.4	Confident	74	Confident	73 Å²	73	61.9 Å²	61.9	28%	0.275	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137	177.1	-67.6	178	-68.5	96.4	1.9	109.5	Y128 E129 K219 T231	Y128-R217 CarbonylContact C-O 3.56Å; Y128-R217 VanDerWaalsContact CA-O 3.26Å; Y128-R217 WeakPolarHBondContact CA-O 3.25Å; E129-R217 PolarHBondContact N-O 3.03Å; E129-R217 PolarHBondContact O-N 3.41Å; E129-R217 IonicContact OE2-CZ 2.77Å; E129-R217 IonicContact OE2-NH1 3.76Å; E129-R217 PolarHBondContact OE2-NH1 2.94Å; E129-R217 IonicContact OE2-NH2 3.65Å; E129-R217 PolarHBondContact OE2-NH2 3.34Å; R217-K219 PolarHBondContact O-N 3.49Å; R217-T231 HydrophobicContact CG-CG2 3.88Å
218	P	79.1	Confident	72	Confident	21 Å²	21	68 Å²	68	14%	0.136	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.6	176.9	-23.8	32.3	0	0	0	111.6	Y128 I220 E229	Y128-P218 HydrophobicContact CD1-CG 4.43Å; Y128-P218 HydrophobicContact CE1-CB 4.5Å; Y128-P218 HydrophobicContact CE1-CG 4.2Å; P218-I220 PolarHBondContact O-N 2.95Å; P218-E229 HydrophobicContact CB-CB 4.22Å; P218-E229 HydrophobicContact CG-CB 3.49Å; P218-E229 VanDerWaalsContact CG-CB 3.49Å
219	K	76.1	Confident	70.3	Confident	76 Å²	76	73.1 Å²	73.1	33%	0.33	40%	0.399	S	S	.	.			trans	-70.1	121.8	170.1	-75.8	171.5	175.9	168.9	0	108.6	P124 Y126 E127 Y128 E129 R217 T221	P124-K219 PolarHBondContact O-NZ 2.82Å; Y126-K219 WeakPolarHBondContact O-CE 2.85Å; Y126-K219 PolarHBondContact O-NZ 2.99Å; E127-K219 WeakPolarHBondContact O-CB 3.38Å; E127-K219 WeakPolarHBondContact O-CG 3.44Å; E127-K219 PolarHBondContact O-N 3.01Å; Y128-K219 VanDerWaalsContact O-CE 3.31Å; Y128-K219 WeakPolarHBondContact O-CE 3.23Å; E129-K219 HydrophobicContact CG-CG 3.92Å; R217-K219 PolarHBondContact O-N 3.49Å; K219-T221 PolarHBondContact O-N 3.05Å; K219-T221 VanDerWaalsContact O-N 3.1Å
220	I	64.8	Low	69.1	Low	141 Å²	141	76.4 Å²	76.4	72%	0.723	42%	0.417	S	S	*	.			trans	-79	97.4	-179.1	-55.6	174	0	0	0	108.9	P218	P218-I220 PolarHBondContact O-N 2.95Å
221	T	54.3	Low	68.4	Low	96 Å²	96	77.7 Å²	77.7	59%	0.589	43%	0.425	S	S	*	.			trans	-75.8	128	165.7	35.3	0	0	0	0	110	K219 L223	K219-T221 PolarHBondContact O-N 3.05Å; K219-T221 VanDerWaalsContact O-N 3.1Å; T221-L223 PolarHBondContact O-N 2.99Å
222	E	50.1	Low	68.1	Low	199 Å²	199	77.5 Å²	77.5	93%	0.93	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-1.9	-168.6	-56.9	-175.3	138.8	0	0	116.2
223	L	49.6	Very low	67.8	Low	166 Å²	166	79.4 Å²	79.4	87%	0.869	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-23.7	-171.8	-71	169.6	0	0	0	114.7	T221	T221-L223 PolarHBondContact O-N 2.99Å
224	D	40.6	Very low	67.7	Low	119 Å²	119	77.7 Å²	77.7	64%	0.636	42%	0.423	S	S	*	.	S	Bend	trans	-112.1	103.5	178.5	-78.7	-54.6	0	0	0	110.6
225	G	43.4	Very low	67.8	Low	77 Å²	77	80.3 Å²	80.3	79%	0.794	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	132.6	173.2	0	0	0	0	0	111.2
226	E	43.2	Very low	68.1	Low	182 Å²	182	79 Å²	79	85%	0.85	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	60.8	-175.4	-57.8	-170.1	151.4	0	0	113.7	T228	E226-T228 WeakPolarHBondContact O-CG2 3.47Å; E226-T228 PolarHBondContact O-N 2.89Å
227	S	45.8	Very low	68.5	Low	57 Å²	57	80.3 Å²	80.3	40%	0.399	43%	0.434	S	S	.	.			trans	-57.4	97.3	162.9	60.7	0	0	0	0	110.5	E229	S227-E229 PolarHBondContact O-N 2.95Å
228	T	49.2	Very low	69.1	Low	137 Å²	137	77 Å²	77	84%	0.84	42%	0.422	S	S	*	.			trans	-76.9	42.8	-173.5	57.6	0	0	0	0	113.9	E226	E226-T228 WeakPolarHBondContact O-CG2 3.47Å; E226-T228 PolarHBondContact O-N 2.89Å
229	E	56.8	Low	69.8	Low	107 Å²	107	76 Å²	76	50%	0.5	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-94.5	131.9	175.4	-71	-138.3	160.5	0	0	111.7	Y128 P218 S227	Y128-E229 WeakPolarHBondContact CE1-OE2 3.4Å; Y128-E229 PolarHBondContact OH-OE2 2.88Å; P218-E229 HydrophobicContact CB-CB 4.22Å; P218-E229 HydrophobicContact CG-CB 3.49Å; P218-E229 VanDerWaalsContact CG-CB 3.49Å; S227-E229 PolarHBondContact O-N 2.95Å
230	D	69.9	Low	70.7	Confident	75 Å²	75	72.5 Å²	72.5	40%	0.401	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-67	138.4	175.9	-69.1	-51.1	0	0	0	110.9	L232 R346	D230-L232 HydrophobicContact CB-CD2 4.4Å; D230-L232 PolarHBondContact O-N 2.72Å; D230-R346 HydrophobicContact CB-CB 4.21Å; D230-R346 HydrophobicContact CB-CG 3.9Å; D230-R346 WeakPolarHBondContact OD2-CD 3.46Å; D230-R346 IonicContact OD2-CZ 2.62Å; D230-R346 VanDerWaalsContact OD2-CZ 3.26Å; D230-R346 IonicContact OD2-NE 2.74Å; D230-R346 PolarHBondContact OD2-NE 3.34Å; D230-R346 IonicContact OD2-NH1 3.89Å; D230-R346 PolarHBondContact OD2-NH1 3.13Å
231	T	80.7	Confident	72	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.178	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-61	135.1	163.7	-65.4	0	0	0	0	109	L215 L216 R217 A347 A352	L215-T231 HydrophobicContact CD1-CG2 3.52Å; L215-T231 HydrophobicContact CG-CG2 4.07Å; L216-T231 CarbonylContact O-C 3.53Å; L216-T231 WeakPolarHBondContact O-CA 3.34Å; L216-T231 WeakPolarHBondContact O-CG2 3.43Å; R217-T231 HydrophobicContact CG-CG2 3.88Å; T231-A347 HydrophobicContact CG2-CB 3.89Å; T231-A347 WeakPolarHBondContact O-CB 3.42Å; T231-A347 PolarHBondContact O-N 2.94Å; T231-A352 HydrophobicContact CG2-CB 3.92Å
232	L	87.6	Confident	73.8	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	161.9	-176.9	-48	172.1	0	0	0	111.7	L216 D230 L344 N345 R346	L216-L232 HydrophobicContact CB-CB 4.08Å; L216-L232 PolarHBondContact N-O 3.27Å; L216-L232 PolarHBondContact O-N 3.24Å; D230-L232 HydrophobicContact CB-CD2 4.4Å; D230-L232 PolarHBondContact O-N 2.72Å; L232-L344 HydrophobicContact CD1-CD1 4.03Å; L232-L344 HydrophobicContact CD1-CD2 4.45Å; L232-L344 HydrophobicContact CD1-CG 4.39Å; L232-L344 HydrophobicContact CD2-CD2 4.22Å; L232-L344 HydrophobicContact CD2-CG 4.14Å; L232-N345 CarbonylContact C-O 3.55Å; L232-N345 VanDerWaalsContact CA-O 3.28Å; L232-N345 WeakPolarHBondContact CA-O 3.35Å; L232-R346 HydrophobicContact CD2-CG 3.94Å
233	T	88.3	Confident	75.6	Confident	40 Å²	40	52 Å²	52	25%	0.245	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.9	172.6	49.8	0	0	0	0	112	F214 L215 N345 A347	F214-T233 WeakPolarHBondContact O-CA 3.44Å; L215-T233 HydrophobicContact CD1-CG2 3.71Å; T233-N345 PolarHBondContact N-O 3.21Å; T233-N345 WeakPolarHBondContact O-CB 3.41Å; T233-N345 PolarHBondContact O-ND2 2.85Å; T233-N345 WeakPolarHBondContact OG1-CB 3.39Å; T233-A347 HydrophobicContact CG2-CB 4.14Å
234	A	91.6	Very high	77.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.3	172.1	0	0	0	0	0	109.9	I74 Y78 F214 L216	I74-A234 HydrophobicContact CG2-CB 4.19Å; Y78-A234 WeakPolarHBondContact O-CB 3.5Å; F214-A234 HydrophobicContact CB-CB 4.39Å; F214-A234 HydrophobicContact CD2-CB 4.29Å; F214-A234 WeakPolarHBondContact CD2-O 3.34Å; F214-A234 PolarHBondContact N-O 3.25Å; F214-A234 PolarHBondContact O-N 3.38Å; L216-A234 HydrophobicContact CD1-CB 4.36Å
235	K	93.3	Very high	79.7	Confident	54 Å²	54	41.2 Å²	41.2	24%	0.235	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.4	167.8	-61.7	177.3	-172.8	170.6	0	109.8	N79 V80 L212	N79-K235 CarbonylContact C-O 3.58Å; N79-K235 WeakPolarHBondContact CA-O 3.48Å; N79-K235 PolarHBondContact OD1-N 2.78Å; V80-K235 PolarHBondContact N-O 3.08Å; L212-K235 WeakPolarHBondContact O-CA 3.46Å
236	L	95.5	Very high	81.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.3	164.5	167.4	58.4	0	0	0	108.6	I74 V80 I115 L119 T211 L212 F214 L238	I74-L236 HydrophobicContact CD1-CB 3.89Å; I74-L236 HydrophobicContact CD1-CD1 4.02Å; I74-L236 HydrophobicContact CD1-CD2 3.77Å; I74-L236 HydrophobicContact CD1-CG 4.08Å; I74-L236 HydrophobicContact CG1-CB 4.49Å; V80-L236 HydrophobicContact CB-CD1 4.24Å; V80-L236 HydrophobicContact CG1-CD1 3.73Å; V80-L236 WeakPolarHBondContact O-CA 3.5Å; I115-L236 HydrophobicContact CG2-CD2 3.63Å; L119-L236 HydrophobicContact CD1-CD2 4.13Å; T211-L236 CarbonylContact C-O 3.43Å; T211-L236 VanDerWaalsContact CA-O 3.31Å; T211-L236 WeakPolarHBondContact CA-O 3.46Å; L212-L236 HydrophobicContact CB-CB 4.33Å; L212-L236 PolarHBondContact N-O 3.12Å; L212-L236 PolarHBondContact O-N 2.94Å; F214-L236 HydrophobicContact CE2-CB 3.8Å; F214-L236 HydrophobicContact CZ-CB 4.49Å; L236-L238 HydrophobicContact CD1-CD2 4.01Å; L236-L238 HydrophobicContact CD1-CG 3.93Å; L236-L238 HydrophobicContact CD2-CD1 3.83Å; L236-L238 HydrophobicContact CD2-CD2 4.45Å; L236-L238 HydrophobicContact CD2-CG 4.07Å; L236-L238 HydrophobicContact CG-CD1 4.11Å; L236-L238 HydrophobicContact CG-CD2 4.41Å; L236-L238 HydrophobicContact CG-CG 3.87Å
237	H	95.4	Very high	83	Confident	28 Å²	28	35.7 Å²	35.7	13%	0.13	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.3	170	-62.9	-67.8	0	0	0	110	V80 T81 L82 T211 V239	V80-H237 PolarHBondContact O-N 2.88Å; T81-H237 WeakPolarHBondContact CA-O 3.42Å; T81-H237 HydrophobicContact CG2-CB 4.03Å; L82-H237 PolarHBondContact N-O 2.87Å; T211-H237 VanDerWaalsContact CG2-CE1 3.41Å; T211-H237 WeakPolarHBondContact CG2-CE1 3.47Å; T211-H237 WeakPolarHBondContact CG2-ND1 3.29Å; T211-H237 PolarHBondContact OG1-ND1 3.47Å; H237-V239 HydrophobicContact CB-CG2 4.4Å
238	L	95.9	Very high	84.4	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.2	177.6	-69.7	162.4	0	0	0	108.5	L82 M96 V112 I115 L210 L212 L236	L82-L238 HydrophobicContact CB-CD2 4.24Å; M96-L238 HydrophobicContact CE-CB 4.01Å; M96-L238 HydrophobicContact CE-CD2 4.2Å; V112-L238 HydrophobicContact CG1-CD1 4.11Å; V112-L238 HydrophobicContact CG2-CB 4.32Å; V112-L238 HydrophobicContact CG2-CD1 4.12Å; V112-L238 HydrophobicContact CG2-CD2 4.24Å; V112-L238 HydrophobicContact CG2-CG 4.46Å; I115-L238 HydrophobicContact CD1-CD2 3.75Å; L210-L238 HydrophobicContact CB-CB 4.2Å; L210-L238 HydrophobicContact CD2-CD1 3.97Å; L210-L238 PolarHBondContact N-O 2.79Å; L210-L238 PolarHBondContact O-N 2.98Å; L212-L238 HydrophobicContact CD1-CD1 4.07Å; L236-L238 HydrophobicContact CD1-CD2 4.01Å; L236-L238 HydrophobicContact CD1-CG 3.93Å; L236-L238 HydrophobicContact CD2-CD1 3.83Å; L236-L238 HydrophobicContact CD2-CD2 4.45Å; L236-L238 HydrophobicContact CD2-CG 4.07Å; L236-L238 HydrophobicContact CG-CD1 4.11Å; L236-L238 HydrophobicContact CG-CD2 4.41Å; L236-L238 HydrophobicContact CG-CG 3.87Å
239	V	94.7	Very high	85.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.3	-164.2	-177.7	0	0	0	0	112.4	L82 F83 A84 A208 I209 H237 L241 L299	L82-V239 PolarHBondContact O-N 3.44Å; F83-V239 WeakPolarHBondContact CA-O 3.24Å; F83-V239 HydrophobicContact CB-CB 3.68Å; F83-V239 HydrophobicContact CB-CG1 4.15Å; F83-V239 HydrophobicContact CB-CG2 4.4Å; A84-V239 PolarHBondContact N-O 2.69Å; A208-V239 WeakPolarHBondContact O-CA 3.45Å; I209-V239 HydrophobicContact CB-CG2 4.46Å; I209-V239 HydrophobicContact CG1-CG1 4.06Å; I209-V239 HydrophobicContact CG1-CG2 4.06Å; I209-V239 HydrophobicContact CG2-CG2 4.13Å; H237-V239 HydrophobicContact CB-CG2 4.4Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.93Å; V239-L299 HydrophobicContact CG2-CD2 4.3Å
240	D	93.7	Very high	85.6	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.011	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	102.4	169.3	179.9	48	0	0	0	108.2	K92 T93 M96 R192 H207 A208	K92-D240 WeakPolarHBondContact CB-OD1 3.42Å; T93-D240 PolarHBondContact N-OD1 3.16Å; T93-D240 PolarHBondContact OG1-OD1 3.02Å; T93-D240 PolarHBondContact OG1-OD2 3.46Å; M96-D240 HydrophobicContact CG-CB 4.33Å; R192-D240 IonicContact CZ-OD2 2.68Å; R192-D240 IonicContact NH1-OD2 3.51Å; R192-D240 PolarHBondContact NH1-OD2 3.14Å; R192-D240 IonicContact NH2-OD2 3.39Å; R192-D240 PolarHBondContact NH2-OD2 2.94Å; H207-D240 CarbonylContact C-O 3.41Å; H207-D240 WeakPolarHBondContact CA-O 3.45Å; A208-D240 PolarHBondContact N-O 3.36Å; A208-D240 PolarHBondContact O-N 2.82Å
241	L	93	Very high	85.3	Confident	1 Å²	1	43 Å²	43	1%	0.005	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-76.3	162.2	-177.8	-60.9	175.4	0	0	0	111.9	F83 A84 Y85 K92 H207 V239 L267 L270 L295	F83-L241 HydrophobicContact CD2-CD1 3.88Å; F83-L241 HydrophobicContact CE2-CD1 4.47Å; A84-L241 WeakPolarHBondContact O-CB 3.46Å; A84-L241 WeakPolarHBondContact O-CG 3.34Å; A84-L241 PolarHBondContact O-N 2.94Å; Y85-L241 HydrophobicContact CD2-CD1 3.82Å; Y85-L241 HydrophobicContact CG-CD1 4.47Å; K92-L241 WeakPolarHBondContact CE-O 3.27Å; H207-L241 HydrophobicContact CB-CD2 4.29Å; H207-L241 VanDerWaalsContact ND1-CD2 3.31Å; H207-L241 WeakPolarHBondContact ND1-CD2 3.32Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.93Å; L241-L267 HydrophobicContact CB-CD2 4.47Å; L241-L267 HydrophobicContact CD1-CD2 4.35Å; L241-L270 HydrophobicContact CD1-CD2 4.18Å; L241-L295 HydrophobicContact CD2-CD1 3.82Å; L241-L295 HydrophobicContact CD2-CD2 4.04Å
242	A	90.6	Very high	84.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-60.2	168.1	167.2	0	0	0	0	0	112.6	K92 S204 H207 I263	K92-A242 WeakPolarHBondContact CE-O 3.49Å; K92-A242 PolarHBondContact NZ-O 3.45Å; S204-A242 CarbonylContact O-C 3.58Å; S204-A242 WeakPolarHBondContact O-CA 3.34Å; H207-A242 PolarHBondContact ND1-N 3.43Å; H207-A242 VanDerWaalsContact ND1-N 3.18Å; A242-I263 HydrophobicContact CB-CG2 4.09Å
243	G	89.9	Confident	84.1	Confident	3 Å²	3	50.1 Å²	50.1	3%	0.031	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.1	132.1	169.5	0	0	0	0	0	112.5	S204 E245 L267	S204-G243 PolarHBondContact O-N 2.97Å; G243-E245 WeakPolarHBondContact CA-OE2 3.23Å; G243-L267 VanDerWaalsContact O-CD1 3.25Å; G243-L267 WeakPolarHBondContact O-CD1 3.29Å
244	S	90.2	Very high	83.7	Confident	15 Å²	15	50.8 Å²	50.8	11%	0.105	25%	0.254	C	S	.	.			trans	-93.9	7.2	178.3	69	0	0	0	0	114.7	Y85 G86 Q87	Y85-S244 WeakPolarHBondContact OH-CB 3.42Å; G86-S244 WeakPolarHBondContact CA-OG 3.43Å; G86-S244 PolarHBondContact O-N 3.25Å; G86-S244 VanDerWaalsContact O-N 3.17Å; G86-S244 PolarHBondContact O-OG 3.33Å; Q87-S244 PolarHBondContact N-OG 3.01Å
245	E	85.8	Confident	82.8	Confident	44 Å²	44	56.2 Å²	56.2	21%	0.206	28%	0.283	C	S	.	.			trans	-63.8	150.2	175.6	62.6	-82.7	-167.2	0	0	112.6	Q87 T88 G243 N264 E324	Q87-E245 VanDerWaalsContact CA-OE2 3.25Å; Q87-E245 WeakPolarHBondContact CA-OE2 3.46Å; Q87-E245 HydrophobicContact CB-CB 4.29Å; T88-E245 WeakPolarHBondContact CB-OE1 3.48Å; T88-E245 PolarHBondContact N-OE2 3.28Å; T88-E245 PolarHBondContact OG1-OE1 3.02Å; T88-E245 PolarHBondContact OG1-OE2 3.49Å; G243-E245 WeakPolarHBondContact CA-OE2 3.23Å; E245-N264 PolarHBondContact O-ND2 3Å; E245-E324 WeakPolarHBondContact CA-OE1 3.45Å
246	R	81	Confident	81.7	Confident	110 Å²	110	59.3 Å²	59.3	42%	0.415	29%	0.293	S	S	.	.			trans	-79.6	132.8	178.5	-60.2	179.9	-173.2	166.5	8.7	110.1	K248 K249 E323 E324 N327	R246-K248 PolarHBondContact O-N 3.36Å; R246-K249 PolarHBondContact O-N 3.02Å; R246-E323 IonicContact CZ-OE1 2.68Å; R246-E323 IonicContact NH1-OE1 3.84Å; R246-E323 PolarHBondContact NH1-OE1 2.81Å; R246-E323 IonicContact NH2-OE1 3.39Å; R246-E323 PolarHBondContact NH2-OE1 3.01Å; R246-E323 VanDerWaalsContact NH2-OE1 3.12Å; R246-E324 PolarHBondContact N-OE1 2.77Å; R246-N327 PolarHBondContact NE-ND2 2.9Å; R246-N327 VanDerWaalsContact NH2-CG 3.32Å; R246-N327 PolarHBondContact NH2-ND2 3.35Å; R246-N327 PolarHBondContact NH2-OD1 2.96Å
247	I	75	Confident	80.9	Confident	34 Å²	34	62.9 Å²	62.9	17%	0.174	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54	-25.9	177.5	-46.4	153.4	0	0	0	112.1	K249 T250 A252 L257 G260 I261 N264	I247-K249 PolarHBondContact O-N 3.37Å; I247-T250 PolarHBondContact O-N 2.89Å; I247-T250 PolarHBondContact O-OG1 3.17Å; I247-A252 HydrophobicContact CG2-CB 4.41Å; I247-L257 HydrophobicContact CG2-CD1 3.75Å; I247-G260 WeakPolarHBondContact CD1-O 3.27Å; I247-I261 HydrophobicContact CD1-CB 4.49Å; I247-I261 HydrophobicContact CD1-CG1 3.84Å; I247-N264 HydrophobicContact CD1-CB 4.47Å
248	K	74.1	Confident	80.1	Confident	195 Å²	195	67.6 Å²	67.6	85%	0.848	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-58.3	-27.2	173.2	-67	-161.1	172.9	-160.2	0	114.1	R246	R246-K248 PolarHBondContact O-N 3.36Å
249	K	65.3	Low	79.3	Confident	84 Å²	84	68.4 Å²	68.4	37%	0.365	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-78.4	-16.9	172.7	-89.2	-165.9	165.9	-162.3	0	113.8	R246 I247 I320 E324	R246-K249 PolarHBondContact O-N 3.02Å; I247-K249 PolarHBondContact O-N 3.37Å; K249-I320 PolarHBondContact NZ-O 3.04Å; K249-E324 HydrophobicContact CD-CG 4.2Å
250	T	66.4	Low	78.6	Confident	76 Å²	76	69 Å²	69	47%	0.466	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.3	-173.5	67.5	0	0	0	0	114.1	I247 A252	I247-T250 PolarHBondContact O-N 2.89Å; I247-T250 PolarHBondContact O-OG1 3.17Å; T250-A252 PolarHBondContact O-N 2.99Å
251	H	64.5	Low	78	Confident	173 Å²	173	73.3 Å²	73.3	80%	0.801	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	35.4	-178.6	-61.1	-83	0	0	0	113.3
252	A	68.1	Low	77.5	Confident	24 Å²	24	76.3 Å²	76.3	20%	0.198	38%	0.38	C	S	.	.			trans	-87.1	124.8	-174.1	0	0	0	0	0	111.8	I247 T250 R256 L257	I247-A252 HydrophobicContact CG2-CB 4.41Å; T250-A252 PolarHBondContact O-N 2.99Å; A252-R256 HydrophobicContact CB-CB 4.01Å; A252-L257 WeakPolarHBondContact O-CB 3.45Å
253	E	73.1	Confident	77	Confident	166 Å²	166	76.8 Å²	76.8	78%	0.776	38%	0.383	S	S	*	.			trans	-106.1	169.8	178.6	-64.6	-177	179.2	0	0	112.7	D255 R256 L257	E253-D255 PolarHBondContact O-N 3.5Å; E253-R256 WeakPolarHBondContact O-CB 3.41Å; E253-R256 PolarHBondContact O-N 3.49Å; E253-R256 VanDerWaalsContact O-N 3.13Å; E253-L257 PolarHBondContact O-N 3.09Å
254	G	79.9	Confident	76.7	Confident	53 Å²	53	78.4 Å²	78.4	55%	0.546	39%	0.39	S	S	.	.	H	α-helix	trans	56.8	-132.3	170.7	0	0	0	0	0	114.1	R256 L257 K258	G254-R256 PolarHBondContact O-N 3.04Å; G254-L257 WeakPolarHBondContact O-CB 3.37Å; G254-L257 PolarHBondContact O-N 3.49Å; G254-L257 VanDerWaalsContact O-N 3.17Å; G254-K258 PolarHBondContact O-N 2.87Å
255	D	73.8	Confident	76.7	Confident	115 Å²	115	83.9 Å²	83.9	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-69.7	-19.5	179.9	-65	-44.3	0	0	0	113.5	E253 L257 K258 E259	E253-D255 PolarHBondContact O-N 3.5Å; D255-L257 VanDerWaalsContact C-N 3.35Å; D255-K258 PolarHBondContact O-N 3.48Å; D255-K258 WeakPolarHBondContact OD1-CD 3.45Å; D255-K258 VanDerWaalsContact OD1-CE 3.31Å; D255-K258 WeakPolarHBondContact OD1-CE 3.39Å; D255-K258 IonicContact OD1-NZ 3.81Å; D255-K258 PolarHBondContact OD1-NZ 2.69Å; D255-E259 WeakPolarHBondContact O-CB 3.29Å; D255-E259 PolarHBondContact O-N 3.5Å
256	R	70.9	Confident	76.8	Confident	119 Å²	119	81.9 Å²	81.9	45%	0.449	40%	0.4	S	S	.	.	H	α-helix	trans	-71.1	-31.4	171.2	-71	-176.9	138.9	-177.5	-8	111.9	M199 N200 A252 E253 G254 G260	M199-R256 PolarHBondContact O-NH2 3.25Å; N200-R256 PolarHBondContact OD1-NH2 3.19Å; A252-R256 HydrophobicContact CB-CB 4.01Å; E253-R256 WeakPolarHBondContact O-CB 3.41Å; E253-R256 PolarHBondContact O-N 3.49Å; E253-R256 VanDerWaalsContact O-N 3.13Å; G254-R256 PolarHBondContact O-N 3.04Å; R256-G260 PolarHBondContact O-N 3.08Å
257	L	77.3	Confident	77.2	Confident	75 Å²	75	77.2 Å²	77.2	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-46.1	170.9	-177.4	53.4	0	0	0	111	I247 A252 E253 G254 D255 G260 I261	I247-L257 HydrophobicContact CG2-CD1 3.75Å; A252-L257 WeakPolarHBondContact O-CB 3.45Å; E253-L257 PolarHBondContact O-N 3.09Å; G254-L257 WeakPolarHBondContact O-CB 3.37Å; G254-L257 PolarHBondContact O-N 3.49Å; G254-L257 VanDerWaalsContact O-N 3.17Å; D255-L257 VanDerWaalsContact C-N 3.35Å; L257-G260 PolarHBondContact O-N 2.85Å; L257-I261 HydrophobicContact CD1-CD1 4.28Å; L257-I261 HydrophobicContact CG-CD1 4.12Å; L257-I261 VanDerWaalsContact O-CG1 3.32Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 2.66Å
258	K	79.3	Confident	77.9	Confident	126 Å²	126	81 Å²	81	55%	0.548	40%	0.403	S	S	.	.	H	α-helix	trans	-58.9	-49.3	176.3	-59.6	177.1	-164.8	161.2	0	111.4	G254 D255 G260 I261 D262	G254-K258 PolarHBondContact O-N 2.87Å; D255-K258 PolarHBondContact O-N 3.48Å; D255-K258 WeakPolarHBondContact OD1-CD 3.45Å; D255-K258 VanDerWaalsContact OD1-CE 3.31Å; D255-K258 WeakPolarHBondContact OD1-CE 3.39Å; D255-K258 IonicContact OD1-NZ 3.81Å; D255-K258 PolarHBondContact OD1-NZ 2.69Å; K258-G260 VanDerWaalsContact C-N 3.33Å; K258-G260 PolarHBondContact O-N 3.35Å; K258-I261 WeakPolarHBondContact O-CB 3.47Å; K258-I261 PolarHBondContact O-N 2.95Å; K258-I261 VanDerWaalsContact O-N 3.08Å; K258-D262 PolarHBondContact O-N 3.5Å
259	E	79.1	Confident	78.7	Confident	21 Å²	21	72 Å²	72	10%	0.098	36%	0.364	C	S	.	.	H	α-helix	trans	-56.1	-45.6	174.5	166.7	161	163.9	0	0	112.1	Y140 K141 R205 D255 I261 D262 I263	Y140-E259 VanDerWaalsContact OH-CD 3.3Å; Y140-E259 PolarHBondContact OH-OE1 3.5Å; Y140-E259 PolarHBondContact OH-OE2 2.97Å; K141-E259 VanDerWaalsContact CE-OE2 3.24Å; K141-E259 WeakPolarHBondContact CE-OE2 3.19Å; K141-E259 IonicContact NZ-OE2 3.91Å; K141-E259 PolarHBondContact NZ-OE2 2.93Å; R205-E259 WeakPolarHBondContact CD-OE1 3.29Å; R205-E259 IonicContact CZ-OE1 2.84Å; R205-E259 IonicContact NE-OE1 3.82Å; R205-E259 IonicContact NH1-OE1 2.65Å; R205-E259 PolarHBondContact NH1-OE1 2.7Å; D255-E259 WeakPolarHBondContact O-CB 3.29Å; D255-E259 PolarHBondContact O-N 3.5Å; E259-I261 VanDerWaalsContact C-N 3.29Å; E259-I261 PolarHBondContact O-N 3.41Å; E259-D262 PolarHBondContact O-N 2.66Å; E259-I263 HydrophobicContact CG-CD1 3.51Å; E259-I263 HydrophobicContact CG-CG1 4.38Å; E259-I263 VanDerWaalsContact O-CD1 3.27Å; E259-I263 WeakPolarHBondContact O-CD1 3.44Å; E259-I263 WeakPolarHBondContact O-CG1 3.33Å; E259-I263 PolarHBondContact O-N 3.39Å
260	G	79.1	Confident	80	Confident	12 Å²	12	68 Å²	68	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-39.5	175.3	0	0	0	0	0	113.1	I247 R256 L257 K258 N264	I247-G260 WeakPolarHBondContact CD1-O 3.27Å; R256-G260 PolarHBondContact O-N 3.08Å; L257-G260 PolarHBondContact O-N 2.85Å; K258-G260 VanDerWaalsContact C-N 3.33Å; K258-G260 PolarHBondContact O-N 3.35Å; G260-N264 WeakPolarHBondContact O-CB 3.43Å; G260-N264 PolarHBondContact O-N 2.66Å
261	I	82.3	Confident	81.1	Confident	94 Å²	94	64.9 Å²	64.9	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-45.6	176.5	-67.9	163.5	0	0	0	110.7	I247 L257 K258 E259 I263 N264 R265	I247-I261 HydrophobicContact CD1-CB 4.49Å; I247-I261 HydrophobicContact CD1-CG1 3.84Å; L257-I261 HydrophobicContact CD1-CD1 4.28Å; L257-I261 HydrophobicContact CG-CD1 4.12Å; L257-I261 VanDerWaalsContact O-CG1 3.32Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 2.66Å; K258-I261 WeakPolarHBondContact O-CB 3.47Å; K258-I261 PolarHBondContact O-N 2.95Å; K258-I261 VanDerWaalsContact O-N 3.08Å; E259-I261 VanDerWaalsContact C-N 3.29Å; E259-I261 PolarHBondContact O-N 3.41Å; I261-I263 VanDerWaalsContact C-N 3.33Å; I261-I263 PolarHBondContact O-N 3.4Å; I261-N264 PolarHBondContact O-N 3.46Å; I261-R265 WeakPolarHBondContact O-CB 3.48Å; I261-R265 PolarHBondContact O-N 2.92Å
262	D	82.7	Confident	82.4	Confident	64 Å²	64	60.1 Å²	60.1	34%	0.342	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-31.8	179.3	-69.7	-38.8	0	0	0	113.1	K141 K258 E259 R265	K141-D262 HydrophobicContact CB-CB 4.29Å; K141-D262 HydrophobicContact CG-CB 4.22Å; K258-D262 PolarHBondContact O-N 3.5Å; E259-D262 PolarHBondContact O-N 2.66Å; D262-R265 WeakPolarHBondContact O-CB 3.31Å
263	I	79.6	Confident	83.5	Confident	10 Å²	10	59 Å²	59	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-70.1	-51.1	172.4	-65.9	156.5	0	0	0	110.2	R205 A242 E259 I261 R265 G266	R205-I263 HydrophobicContact CB-CD1 3.61Å; R205-I263 HydrophobicContact CB-CG1 4.27Å; R205-I263 HydrophobicContact CG-CD1 3.68Å; R205-I263 WeakPolarHBondContact O-CG2 3.29Å; A242-I263 HydrophobicContact CB-CG2 4.09Å; E259-I263 HydrophobicContact CG-CD1 3.51Å; E259-I263 HydrophobicContact CG-CG1 4.38Å; E259-I263 VanDerWaalsContact O-CD1 3.27Å; E259-I263 WeakPolarHBondContact O-CD1 3.44Å; E259-I263 WeakPolarHBondContact O-CG1 3.33Å; E259-I263 PolarHBondContact O-N 3.39Å; I261-I263 VanDerWaalsContact C-N 3.33Å; I261-I263 PolarHBondContact O-N 3.4Å; I263-R265 PolarHBondContact O-N 2.98Å; I263-G266 PolarHBondContact O-N 2.99Å
264	N	84.1	Confident	84.3	Confident	37 Å²	37	51.1 Å²	51.1	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-13.3	-177	-77.6	14.6	0	0	0	113	E245 I247 G260 I261 G266 L267 L268	E245-N264 PolarHBondContact O-ND2 3Å; I247-N264 HydrophobicContact CD1-CB 4.47Å; G260-N264 WeakPolarHBondContact O-CB 3.43Å; G260-N264 PolarHBondContact O-N 2.66Å; I261-N264 PolarHBondContact O-N 3.46Å; N264-G266 VanDerWaalsContact C-N 3.32Å; N264-G266 PolarHBondContact O-N 2.85Å; N264-L267 PolarHBondContact O-N 3.15Å; N264-L268 VanDerWaalsContact O-CB 3.23Å; N264-L268 WeakPolarHBondContact O-CB 3.42Å; N264-L268 PolarHBondContact O-N 3.01Å
265	R	88.6	Confident	84.7	Confident	130 Å²	130	50.2 Å²	50.2	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-54.7	-45.6	170.7	-179.1	176.3	175.4	161.2	3.3	112.2	E142 I261 D262 I263 L267 L268 A269 D292	E142-R265 HydrophobicContact CG-CG 4.44Å; I261-R265 WeakPolarHBondContact O-CB 3.48Å; I261-R265 PolarHBondContact O-N 2.92Å; D262-R265 WeakPolarHBondContact O-CB 3.31Å; I263-R265 PolarHBondContact O-N 2.98Å; R265-L267 PolarHBondContact O-N 3.01Å; R265-L268 PolarHBondContact O-N 2.8Å; R265-A269 WeakPolarHBondContact O-CB 3.47Å; R265-A269 PolarHBondContact O-N 3.19Å; R265-D292 PolarHBondContact NE-O 3.39Å; R265-D292 PolarHBondContact NH2-O 2.88Å
266	G	87.8	Confident	85.3	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-47.1	178.2	0	0	0	0	0	112.2	E142 I263 N264 L270	E142-G266 WeakPolarHBondContact OE1-CA 3.46Å; E142-G266 PolarHBondContact OE1-N 2.81Å; I263-G266 PolarHBondContact O-N 2.99Å; N264-G266 VanDerWaalsContact C-N 3.32Å; N264-G266 PolarHBondContact O-N 2.85Å; G266-L270 WeakPolarHBondContact O-CB 3.48Å; G266-L270 PolarHBondContact O-N 2.93Å; G266-L270 VanDerWaalsContact O-N 3.13Å
267	L	89.5	Confident	86.1	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-74.3	-33.4	-179.9	-64.6	-177.9	0	0	0	113.8	Y85 L241 G243 N264 R265 L270 G271 L295	Y85-L267 HydrophobicContact CD2-CD2 4.39Å; Y85-L267 HydrophobicContact CE2-CD2 4.11Å; L241-L267 HydrophobicContact CB-CD2 4.47Å; L241-L267 HydrophobicContact CD1-CD2 4.35Å; G243-L267 VanDerWaalsContact O-CD1 3.25Å; G243-L267 WeakPolarHBondContact O-CD1 3.29Å; N264-L267 PolarHBondContact O-N 3.15Å; R265-L267 PolarHBondContact O-N 3.01Å; L267-L270 PolarHBondContact O-N 3.23Å; L267-G271 PolarHBondContact O-N 3.39Å; L267-L295 HydrophobicContact CD2-CD2 4.29Å
268	L	90.1	Very high	86.3	Confident	115 Å²	115	39.1 Å²	39.1	60%	0.602	20%	0.203	S	C	*	.	H	α-helix	trans	-66.7	-46.1	175.6	179.5	62.1	0	0	0	110.8	N264 R265 L270 G271 N272	N264-L268 VanDerWaalsContact O-CB 3.23Å; N264-L268 WeakPolarHBondContact O-CB 3.42Å; N264-L268 PolarHBondContact O-N 3.01Å; R265-L268 PolarHBondContact O-N 2.8Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.04Å; L268-G271 PolarHBondContact O-N 3.41Å; L268-N272 VanDerWaalsContact O-CG 3.32Å; L268-N272 PolarHBondContact O-N 3.25Å
269	A	91	Very high	86.1	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-44	171.6	0	0	0	0	0	111.4	R265 G271 N272 V273 D292 S293 T296	R265-A269 WeakPolarHBondContact O-CB 3.47Å; R265-A269 PolarHBondContact O-N 3.19Å; A269-G271 VanDerWaalsContact C-N 3.35Å; A269-G271 PolarHBondContact O-N 3.06Å; A269-N272 WeakPolarHBondContact O-CB 3.2Å; A269-N272 PolarHBondContact O-N 2.79Å; A269-N272 VanDerWaalsContact O-N 3.14Å; A269-V273 WeakPolarHBondContact O-CG2 3.22Å; A269-V273 PolarHBondContact O-N 3.33Å; A269-D292 HydrophobicContact CB-CB 3.77Å; A269-S293 WeakPolarHBondContact CB-OG 3.35Å; A269-T296 HydrophobicContact CB-CG2 3.91Å
270	L	92.3	Very high	85	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-41.3	176.8	-162.4	67.9	0	0	0	111.8	L241 G266 L267 L268 N272 V273 I274 L295 T296 L299 L303 Y331	L241-L270 HydrophobicContact CD1-CD2 4.18Å; G266-L270 WeakPolarHBondContact O-CB 3.48Å; G266-L270 PolarHBondContact O-N 2.93Å; G266-L270 VanDerWaalsContact O-N 3.13Å; L267-L270 PolarHBondContact O-N 3.23Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.04Å; L270-N272 PolarHBondContact O-N 3.29Å; L270-V273 PolarHBondContact O-N 3.08Å; L270-I274 WeakPolarHBondContact O-CB 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.48Å; L270-I274 PolarHBondContact O-N 2.83Å; L270-L295 HydrophobicContact CD2-CD2 4.12Å; L270-T296 VanDerWaalsContact CA-CG2 3.47Å; L270-T296 HydrophobicContact CB-CG2 4.01Å; L270-T296 HydrophobicContact CD1-CG2 3.79Å; L270-L299 HydrophobicContact CD1-CD1 3.94Å; L270-L299 HydrophobicContact CD2-CD1 4.3Å; L270-L303 HydrophobicContact CD1-CD1 3.51Å; L270-L303 HydrophobicContact CG-CD1 4.33Å; L270-Y331 WeakPolarHBondContact CB-OH 3.45Å; L270-Y331 WeakPolarHBondContact CD2-OH 3.42Å; L270-Y331 WeakPolarHBondContact CG-OH 3.49Å
271	G	90.6	Very high	83.9	Confident	11 Å²	11	50.5 Å²	50.5	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-34.1	173	0	0	0	0	0	114	L267 L268 A269 S275 Y331	L267-G271 PolarHBondContact O-N 3.39Å; L268-G271 PolarHBondContact O-N 3.41Å; A269-G271 VanDerWaalsContact C-N 3.35Å; A269-G271 PolarHBondContact O-N 3.06Å; G271-S275 WeakPolarHBondContact O-CB 3.21Å; G271-S275 PolarHBondContact O-N 3.14Å; G271-S275 PolarHBondContact O-OG 2.79Å; G271-Y331 PolarHBondContact N-OH 3Å
272	N	90.8	Very high	82.6	Confident	73 Å²	73	49.4 Å²	49.4	39%	0.39	25%	0.253	S	S	.	.	H	α-helix	trans	-70.4	-43.8	174.4	-70.6	-15.6	0	0	0	111.7	L268 A269 L270 S275 A276 P289	L268-N272 VanDerWaalsContact O-CG 3.32Å; L268-N272 PolarHBondContact O-N 3.25Å; A269-N272 WeakPolarHBondContact O-CB 3.2Å; A269-N272 PolarHBondContact O-N 2.79Å; A269-N272 VanDerWaalsContact O-N 3.14Å; L270-N272 PolarHBondContact O-N 3.29Å; N272-S275 PolarHBondContact O-N 3.49Å; N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 2.81Å; N272-P289 HydrophobicContact CB-CG 4.19Å
273	V	91	Very high	81.3	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-49.6	174.8	165.6	0	0	0	0	110.9	A269 L270 S275 A276 L277 I288 P289 Y290 T296	A269-V273 WeakPolarHBondContact O-CG2 3.22Å; A269-V273 PolarHBondContact O-N 3.33Å; L270-V273 PolarHBondContact O-N 3.08Å; V273-S275 PolarHBondContact O-N 2.94Å; V273-A276 PolarHBondContact O-N 2.85Å; V273-L277 HydrophobicContact CG1-CD1 3.78Å; V273-L277 WeakPolarHBondContact O-CG 3.46Å; V273-L277 PolarHBondContact O-N 3.13Å; V273-I288 HydrophobicContact CB-CG2 4.41Å; V273-I288 HydrophobicContact CG1-CG2 3.94Å; V273-I288 HydrophobicContact CG2-CG2 4.27Å; V273-P289 HydrophobicContact CG2-CG 3.99Å; V273-Y290 HydrophobicContact CG1-CD1 3.84Å; V273-Y290 HydrophobicContact CG1-CE1 3.6Å; V273-Y290 HydrophobicContact CG2-CD1 4.2Å; V273-T296 HydrophobicContact CB-CG2 4.35Å; V273-T296 HydrophobicContact CG2-CG2 3.79Å
274	I	90.1	Very high	80.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.8	-49	176	-71.5	175.2	0	0	0	110.3	L270 A276 L277 C278 L303 Y331 R334 A335 I338	L270-I274 WeakPolarHBondContact O-CB 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.48Å; L270-I274 PolarHBondContact O-N 2.83Å; I274-A276 VanDerWaalsContact C-N 3.31Å; I274-A276 PolarHBondContact O-N 3.07Å; I274-L277 PolarHBondContact O-N 3.35Å; I274-L277 VanDerWaalsContact O-N 3.08Å; I274-C278 PolarHBondContact O-N 3.4Å; I274-C278 PolarHBondContact O-SG 3.09Å; I274-L303 HydrophobicContact CD1-CD1 4.44Å; I274-L303 HydrophobicContact CG1-CD1 4.18Å; I274-Y331 HydrophobicContact CD1-CD1 4.06Å; I274-Y331 HydrophobicContact CD1-CE1 3.28Å; I274-R334 HydrophobicContact CG2-CB 3.89Å; I274-A335 HydrophobicContact CD1-CB 4.4Å; I274-I338 HydrophobicContact CB-CD1 4.14Å; I274-I338 HydrophobicContact CG1-CD1 3.77Å; I274-I338 HydrophobicContact CG2-CD1 4.08Å
275	S	88.3	Confident	78.8	Confident	33 Å²	33	67.9 Å²	67.9	23%	0.231	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-40.9	179.5	-55.8	0	0	0	0	112.8	G271 N272 V273 C278 E279 R334	G271-S275 WeakPolarHBondContact O-CB 3.21Å; G271-S275 PolarHBondContact O-N 3.14Å; G271-S275 PolarHBondContact O-OG 2.79Å; N272-S275 PolarHBondContact O-N 3.49Å; V273-S275 PolarHBondContact O-N 2.94Å; S275-C278 PolarHBondContact O-N 3.47Å; S275-E279 PolarHBondContact O-N 2.81Å; S275-R334 PolarHBondContact OG-NH1 2.91Å
276	A	87.6	Confident	77.8	Confident	11 Å²	11	67.7 Å²	67.7	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-32.5	176.6	0	0	0	0	0	113.2	N272 V273 I274	N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 2.81Å; V273-A276 PolarHBondContact O-N 2.85Å; I274-A276 VanDerWaalsContact C-N 3.31Å; I274-A276 PolarHBondContact O-N 3.07Å
277	L	86.5	Confident	77.5	Confident	41 Å²	41	73.9 Å²	73.9	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-75.7	-29.1	176	-73	165.5	0	0	0	113.1	V273 I274 I288 L303 I338	V273-L277 HydrophobicContact CG1-CD1 3.78Å; V273-L277 WeakPolarHBondContact O-CG 3.46Å; V273-L277 PolarHBondContact O-N 3.13Å; I274-L277 PolarHBondContact O-N 3.35Å; I274-L277 VanDerWaalsContact O-N 3.08Å; L277-I288 HydrophobicContact CD2-CD1 3.67Å; L277-I288 HydrophobicContact CD2-CG1 4.38Å; L277-I288 HydrophobicContact CG-CD1 4.47Å; L277-I288 HydrophobicContact CG-CG2 4.34Å; L277-L303 HydrophobicContact CD1-CB 4.02Å; L277-L303 WeakPolarHBondContact CD1-O 3.22Å; L277-I338 HydrophobicContact CB-CD1 4.06Å; L277-I338 HydrophobicContact CB-CG1 3.85Å; L277-I338 HydrophobicContact CB-CG2 4.31Å; L277-I338 HydrophobicContact CD1-CD1 3.93Å; L277-I338 HydrophobicContact CD1-CG1 4.43Å; L277-I338 HydrophobicContact CD1-CG2 4.08Å
278	C	81.6	Confident	77.4	Confident	25 Å²	25	75.8 Å²	75.8	17%	0.169	38%	0.381	C	S	.	.	H	α-helix	trans	-78.8	-20.6	178.5	-58.1	0	0	0	0	113.9	I274 S275 R280 R334 L337	I274-C278 PolarHBondContact O-N 3.4Å; I274-C278 PolarHBondContact O-SG 3.09Å; S275-C278 PolarHBondContact O-N 3.47Å; C278-R280 PolarHBondContact O-N 3.14Å; C278-R334 VanDerWaalsContact SG-C 3.58Å; C278-R334 PolarHBondContact SG-O 2.92Å; C278-L337 HydrophobicContact CB-CB 4.49Å
279	E	74.8	Confident	77.3	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	36%	0.359	S	S	.	.			trans	-68.7	101.2	-178.9	-82.3	177.7	-161.6	0	0	110.9	S275 D281 A282 R285	S275-E279 PolarHBondContact O-N 2.81Å; E279-D281 CarbonylContact O-C 3.56Å; E279-D281 PolarHBondContact O-N 3.08Å; E279-A282 PolarHBondContact O-N 3.41Å; E279-R285 VanDerWaalsContact CD-NE 3.33Å; E279-R285 IonicContact OE1-CZ 2.69Å; E279-R285 IonicContact OE1-NE 3.5Å; E279-R285 PolarHBondContact OE1-NE 3.38Å; E279-R285 IonicContact OE1-NH2 2.69Å; E279-R285 PolarHBondContact OE1-NH2 2.67Å; E279-R285 WeakPolarHBondContact OE2-CD 3.39Å; E279-R285 IonicContact OE2-CZ 2.68Å; E279-R285 IonicContact OE2-NE 3.5Å; E279-R285 PolarHBondContact OE2-NE 3.18Å; E279-R285 IonicContact OE2-NH2 3.51Å
280	R	56.3	Low	77.2	Confident	235 Å²	235	72.5 Å²	72.5	89%	0.887	36%	0.363	S	S	*	.	S	Bend	trans	-51.1	-28.4	179.7	-65.4	-177.4	179.9	177.4	0.4	113.5	C278 A282	C278-R280 PolarHBondContact O-N 3.14Å; R280-A282 PolarHBondContact O-N 2.95Å
281	D	56.5	Low	77.1	Confident	89 Å²	89	80 Å²	80	48%	0.476	39%	0.391	S	S	.	.			trans	-76.4	57.1	168.7	-74.1	-20.3	0	0	0	112	E279 K283 K284	E279-D281 CarbonylContact O-C 3.56Å; E279-D281 PolarHBondContact O-N 3.08Å; D281-K283 PolarHBondContact O-N 3.22Å; D281-K284 HydrophobicContact CB-CB 4.38Å; D281-K284 HydrophobicContact CB-CD 3.76Å; D281-K284 HydrophobicContact CB-CG 4.04Å; D281-K284 WeakPolarHBondContact O-CB 3.41Å; D281-K284 PolarHBondContact O-N 3Å; D281-K284 VanDerWaalsContact OD2-CE 3.27Å; D281-K284 WeakPolarHBondContact OD2-CE 3.25Å; D281-K284 IonicContact OD2-NZ 3.1Å; D281-K284 PolarHBondContact OD2-NZ 2.98Å
282	A	54.8	Low	76.9	Confident	72 Å²	72	83.2 Å²	83.2	60%	0.595	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.6	178.4	0	0	0	0	0	113.5	E279 R280 K284	E279-A282 PolarHBondContact O-N 3.41Å; R280-A282 PolarHBondContact O-N 2.95Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.42Å
283	K	55.3	Low	77	Confident	208 Å²	208	79.8 Å²	79.8	90%	0.904	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.4	171.4	-66	-177	177.4	-180	0	114.5	D281	D281-K283 PolarHBondContact O-N 3.22Å
284	K	55.2	Low	77	Confident	157 Å²	157	83.4 Å²	83.4	68%	0.683	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-29.1	-179.4	-71.8	178.5	-179.3	162.7	0	113.2	D281 A282	D281-K284 HydrophobicContact CB-CB 4.38Å; D281-K284 HydrophobicContact CB-CD 3.76Å; D281-K284 HydrophobicContact CB-CG 4.04Å; D281-K284 WeakPolarHBondContact O-CB 3.41Å; D281-K284 PolarHBondContact O-N 3Å; D281-K284 VanDerWaalsContact OD2-CE 3.27Å; D281-K284 WeakPolarHBondContact OD2-CE 3.25Å; D281-K284 IonicContact OD2-NZ 3.1Å; D281-K284 PolarHBondContact OD2-NZ 2.98Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.42Å
285	R	56.7	Low	77.1	Confident	133 Å²	133	83.4 Å²	83.4	50%	0.502	40%	0.401	S	S	.	.			trans	-121.1	81.9	175.1	-61.4	-165.8	-160	-133.5	11.4	111	E279 H287	E279-R285 VanDerWaalsContact CD-NE 3.33Å; E279-R285 IonicContact OE1-CZ 2.69Å; E279-R285 IonicContact OE1-NE 3.5Å; E279-R285 PolarHBondContact OE1-NE 3.38Å; E279-R285 IonicContact OE1-NH2 2.69Å; E279-R285 PolarHBondContact OE1-NH2 2.67Å; E279-R285 WeakPolarHBondContact OE2-CD 3.39Å; E279-R285 IonicContact OE2-CZ 2.68Å; E279-R285 IonicContact OE2-NE 3.5Å; E279-R285 PolarHBondContact OE2-NE 3.18Å; E279-R285 IonicContact OE2-NH2 3.51Å; R285-H287 PolarHBondContact O-N 3.16Å; R285-H287 VanDerWaalsContact O-N 3.08Å
286	S	66.7	Low	77.3	Confident	126 Å²	126	81.9 Å²	81.9	88%	0.881	39%	0.39	S	S	*	.			trans	-67.2	-4.5	176.4	-170.8	0	0	0	0	114.7
287	H	82	Confident	77.5	Confident	132 Å²	132	83 Å²	83	61%	0.611	39%	0.392	S	S	*	.			trans	-130.5	117.9	-178.9	-179.8	-86.3	0	0	0	110.2	R285	R285-H287 PolarHBondContact O-N 3.16Å; R285-H287 VanDerWaalsContact O-N 3.08Å
288	I	86.4	Confident	77.7	Confident	51 Å²	51	82.5 Å²	82.5	26%	0.262	39%	0.389	S	S	.	.			trans	-92.2	129.6	175.8	-59.3	153.3	0	0	0	107.8	V273 L277 Y290	V273-I288 HydrophobicContact CB-CG2 4.41Å; V273-I288 HydrophobicContact CG1-CG2 3.94Å; V273-I288 HydrophobicContact CG2-CG2 4.27Å; L277-I288 HydrophobicContact CD2-CD1 3.67Å; L277-I288 HydrophobicContact CD2-CG1 4.38Å; L277-I288 HydrophobicContact CG-CD1 4.47Å; L277-I288 HydrophobicContact CG-CG2 4.34Å; I288-Y290 HydrophobicContact CB-CD2 3.87Å; I288-Y290 HydrophobicContact CB-CE2 3.54Å; I288-Y290 HydrophobicContact CD1-CE2 3.93Å; I288-Y290 HydrophobicContact CG1-CE2 4.36Å; I288-Y290 HydrophobicContact CG2-CD1 4.34Å; I288-Y290 HydrophobicContact CG2-CD2 3.74Å; I288-Y290 HydrophobicContact CG2-CE1 4.04Å; I288-Y290 HydrophobicContact CG2-CE2 3.4Å; I288-Y290 HydrophobicContact CG2-CG 4.21Å; I288-Y290 PolarHBondContact O-N 2.9Å
289	P	89.6	Confident	78.1	Confident	22 Å²	22	81.5 Å²	81.5	14%	0.143	38%	0.382	C	S	.	.			trans	-79.5	47.9	-168.6	32.8	-37	0	0	0	114.1	N272 V273 R291 D292	N272-P289 HydrophobicContact CB-CG 4.19Å; V273-P289 HydrophobicContact CG2-CG 3.99Å; P289-R291 PolarHBondContact O-N 3.32Å; P289-D292 PolarHBondContact O-N 2.85Å
290	Y	89.3	Confident	78.8	Confident	29 Å²	29	80 Å²	80	11%	0.114	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.4	179.4	-64.3	-73.8	0	0	0	113.6	V273 I288 T296 R297 Q300 L303	V273-Y290 HydrophobicContact CG1-CD1 3.84Å; V273-Y290 HydrophobicContact CG1-CE1 3.6Å; V273-Y290 HydrophobicContact CG2-CD1 4.2Å; I288-Y290 HydrophobicContact CB-CD2 3.87Å; I288-Y290 HydrophobicContact CB-CE2 3.54Å; I288-Y290 HydrophobicContact CD1-CE2 3.93Å; I288-Y290 HydrophobicContact CG1-CE2 4.36Å; I288-Y290 HydrophobicContact CG2-CD1 4.34Å; I288-Y290 HydrophobicContact CG2-CD2 3.74Å; I288-Y290 HydrophobicContact CG2-CE1 4.04Å; I288-Y290 HydrophobicContact CG2-CE2 3.4Å; I288-Y290 HydrophobicContact CG2-CG 4.21Å; I288-Y290 PolarHBondContact O-N 2.9Å; Y290-T296 CarbonylContact O-C 3.48Å; Y290-T296 VanDerWaalsContact O-C 3.27Å; Y290-T296 VanDerWaalsContact O-CB 3.25Å; Y290-T296 WeakPolarHBondContact O-CB 3.32Å; Y290-T296 PolarHBondContact O-OG1 3.32Å; Y290-R297 WeakPolarHBondContact O-CG 3.43Å; Y290-R297 PolarHBondContact O-N 2.9Å; Y290-R297 VanDerWaalsContact O-N 3.11Å; Y290-Q300 HydrophobicContact CD1-CB 3.94Å; Y290-Q300 HydrophobicContact CD1-CG 3.83Å; Y290-Q300 HydrophobicContact CD2-CG 3.98Å; Y290-Q300 HydrophobicContact CE1-CB 4.27Å; Y290-Q300 HydrophobicContact CE1-CG 3.98Å; Y290-Q300 HydrophobicContact CE2-CG 4.11Å; Y290-Q300 HydrophobicContact CG-CB 4.26Å; Y290-Q300 HydrophobicContact CG-CG 3.83Å; Y290-L303 WeakPolarHBondContact CE1-O 3.47Å; Y290-L303 PolarHBondContact OH-O 3.35Å
291	R	88.4	Confident	80.3	Confident	159 Å²	159	70.5 Å²	70.5	60%	0.6	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.4	-176.9	-70.4	-176.5	175.6	145.2	-3.9	115.2	E160 P289 S293 R297	E160-R291 IonicContact OE1-NE 2.66Å; E160-R291 PolarHBondContact OE1-NE 3.41Å; E160-R291 IonicContact OE2-CZ 2.7Å; E160-R291 IonicContact OE2-NE 3.28Å; E160-R291 PolarHBondContact OE2-NE 3.21Å; E160-R291 IonicContact OE2-NH2 2.7Å; E160-R291 PolarHBondContact OE2-NH2 3.3Å; P289-R291 PolarHBondContact O-N 3.32Å; R291-S293 VanDerWaalsContact C-N 3.32Å; R291-S293 PolarHBondContact O-N 2.98Å; R291-R297 HydrophobicContact CG-CG 4.35Å
292	D	88	Confident	81.9	Confident	77 Å²	77	66.3 Å²	66.3	41%	0.412	32%	0.32	S	S	.	.	S	Bend	trans	-68.9	-28.5	-174.7	-72.9	16.5	0	0	0	113.4	R265 A269 P289	R265-D292 PolarHBondContact NE-O 3.39Å; R265-D292 PolarHBondContact NH2-O 2.88Å; A269-D292 HydrophobicContact CB-CB 3.77Å; P289-D292 PolarHBondContact O-N 2.85Å
293	S	92.3	Very high	83.5	Confident	2 Å²	2	63 Å²	63	1%	0.014	29%	0.292	C	S	.	.	S	Bend	trans	-133.3	163	168.6	72	0	0	0	0	112.8	E142 A269 R291 L295 T296 R297	E142-S293 WeakPolarHBondContact OE1-CB 3.39Å; E142-S293 VanDerWaalsContact OE2-CA 3.24Å; E142-S293 WeakPolarHBondContact OE2-CA 3.44Å; E142-S293 WeakPolarHBondContact OE2-CB 3.21Å; A269-S293 WeakPolarHBondContact CB-OG 3.35Å; R291-S293 VanDerWaalsContact C-N 3.32Å; R291-S293 PolarHBondContact O-N 2.98Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact OG-N 3.27Å; S293-T296 PolarHBondContact N-OG1 3.25Å; S293-T296 PolarHBondContact O-OG1 2.95Å; S293-T296 VanDerWaalsContact O-OG1 3.07Å; S293-T296 PolarHBondContact OG-N 2.79Å; S293-T296 VanDerWaalsContact OG-N 3.08Å; S293-T296 PolarHBondContact OG-OG1 3.49Å; S293-R297 WeakPolarHBondContact O-CG 3.47Å; S293-R297 PolarHBondContact O-N 3.02Å
294	R	91.3	Very high	84.9	Confident	76 Å²	76	54.4 Å²	54.4	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-36.9	169.6	-61.4	-48.9	-177.6	143.9	4.1	111.7	E142 I144 I158 R297 L298	E142-R294 WeakPolarHBondContact O-CG 3.48Å; E142-R294 PolarHBondContact OE2-N 2.96Å; I144-R294 HydrophobicContact CD1-CB 4.2Å; I144-R294 HydrophobicContact CD1-CG 4.34Å; I144-R294 HydrophobicContact CG1-CB 4.34Å; I144-R294 HydrophobicContact CG1-CG 4.45Å; I158-R294 HydrophobicContact CD1-CB 3.94Å; I158-R294 HydrophobicContact CD1-CG 4.37Å; R294-R297 PolarHBondContact O-N 3.32Å; R294-L298 WeakPolarHBondContact O-CG 3.26Å; R294-L298 PolarHBondContact O-N 3.39Å; R294-L298 VanDerWaalsContact O-N 3.08Å
295	L	92.3	Very high	86.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-46.6	177.8	179.7	68	0	0	0	111.4	I139 H207 I209 L241 L267 L270 S293 R297 L298 L299	I139-L295 HydrophobicContact CD1-CB 4.2Å; I139-L295 HydrophobicContact CD1-CD1 3.97Å; H207-L295 HydrophobicContact CB-CD1 4.3Å; I209-L295 HydrophobicContact CD1-CD1 4.38Å; L241-L295 HydrophobicContact CD2-CD1 3.82Å; L241-L295 HydrophobicContact CD2-CD2 4.04Å; L267-L295 HydrophobicContact CD2-CD2 4.29Å; L270-L295 HydrophobicContact CD2-CD2 4.12Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact OG-N 3.27Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 2.9Å; L295-L298 PolarHBondContact O-N 3.42Å; L295-L299 HydrophobicContact CD1-CD1 3.82Å; L295-L299 HydrophobicContact CD1-CG 4.29Å; L295-L299 HydrophobicContact CG-CD1 4.07Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 2.68Å
296	T	91.9	Very high	87.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-26.5	179.6	46.7	0	0	0	0	113.6	A269 L270 V273 Y290 S293 Q300	A269-T296 HydrophobicContact CB-CG2 3.91Å; L270-T296 VanDerWaalsContact CA-CG2 3.47Å; L270-T296 HydrophobicContact CB-CG2 4.01Å; L270-T296 HydrophobicContact CD1-CG2 3.79Å; V273-T296 HydrophobicContact CB-CG2 4.35Å; V273-T296 HydrophobicContact CG2-CG2 3.79Å; Y290-T296 CarbonylContact O-C 3.48Å; Y290-T296 VanDerWaalsContact O-C 3.27Å; Y290-T296 VanDerWaalsContact O-CB 3.25Å; Y290-T296 WeakPolarHBondContact O-CB 3.32Å; Y290-T296 PolarHBondContact O-OG1 3.32Å; S293-T296 PolarHBondContact N-OG1 3.25Å; S293-T296 PolarHBondContact O-OG1 2.95Å; S293-T296 VanDerWaalsContact O-OG1 3.07Å; S293-T296 PolarHBondContact OG-N 2.79Å; S293-T296 VanDerWaalsContact OG-N 3.08Å; S293-T296 PolarHBondContact OG-OG1 3.49Å; T296-Q300 PolarHBondContact O-N 2.98Å
297	R	91.2	Very high	89.1	Confident	35 Å²	35	36.9 Å²	36.9	13%	0.132	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-43	171.1	-65.8	175.4	72.8	-157.1	-6.9	111	I158 E160 Y290 R291 S293 R294 L295 Q300	I158-R297 HydrophobicContact CD1-CB 3.84Å; I158-R297 PolarHBondContact O-NH2 3.39Å; E160-R297 IonicContact OE1-CZ 3.14Å; E160-R297 IonicContact OE1-NE 3.2Å; E160-R297 PolarHBondContact OE1-NE 3.19Å; E160-R297 IonicContact OE1-NH2 2.64Å; E160-R297 PolarHBondContact OE1-NH2 3.39Å; Y290-R297 WeakPolarHBondContact O-CG 3.43Å; Y290-R297 PolarHBondContact O-N 2.9Å; Y290-R297 VanDerWaalsContact O-N 3.11Å; R291-R297 HydrophobicContact CG-CG 4.35Å; S293-R297 WeakPolarHBondContact O-CG 3.47Å; S293-R297 PolarHBondContact O-N 3.02Å; R294-R297 PolarHBondContact O-N 3.32Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 2.9Å; R297-Q300 VanDerWaalsContact O-CB 3.29Å; R297-Q300 WeakPolarHBondContact O-CB 3.41Å; R297-Q300 PolarHBondContact O-N 3.05Å
298	L	91	Very high	89.6	Confident	30 Å²	30	31.2 Å²	31.2	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-71.6	-28.8	179.5	-65.6	172.4	0	0	0	113.2	L137 I139 I144 I158 V165 I167 I209 R294 L295	L137-L298 HydrophobicContact CD1-CD1 4.49Å; I139-L298 HydrophobicContact CD1-CD1 3.81Å; I144-L298 HydrophobicContact CD1-CD1 4.2Å; I158-L298 HydrophobicContact CD1-CD1 4.26Å; I158-L298 HydrophobicContact CD1-CD2 4Å; I158-L298 HydrophobicContact CD1-CG 3.79Å; I158-L298 HydrophobicContact CG1-CD2 4.35Å; V165-L298 HydrophobicContact CG1-CD2 3.89Å; I167-L298 HydrophobicContact CD1-CD1 4.24Å; I167-L298 HydrophobicContact CD1-CD2 3.72Å; I167-L298 HydrophobicContact CG1-CD2 4.02Å; I209-L298 HydrophobicContact CD1-CB 4.45Å; I209-L298 HydrophobicContact CD1-CD1 4.33Å; R294-L298 WeakPolarHBondContact O-CG 3.26Å; R294-L298 PolarHBondContact O-N 3.39Å; R294-L298 VanDerWaalsContact O-N 3.08Å; L295-L298 PolarHBondContact O-N 3.42Å
299	L	91.2	Very high	90	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.8	174.9	-60.8	-180	0	0	0	113.8	T81 V239 L270 L295 D301 S302 L303	T81-L299 HydrophobicContact CG2-CD2 4.38Å; V239-L299 HydrophobicContact CG2-CD2 4.3Å; L270-L299 HydrophobicContact CD1-CD1 3.94Å; L270-L299 HydrophobicContact CD2-CD1 4.3Å; L295-L299 HydrophobicContact CD1-CD1 3.82Å; L295-L299 HydrophobicContact CD1-CG 4.29Å; L295-L299 HydrophobicContact CG-CD1 4.07Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 2.68Å; L299-D301 PolarHBondContact O-N 3.11Å; L299-S302 WeakPolarHBondContact O-CA 3.4Å; L299-S302 WeakPolarHBondContact O-CB 3.31Å; L299-S302 PolarHBondContact O-N 2.75Å; L299-L303 PolarHBondContact O-N 3.3Å; L299-L303 VanDerWaalsContact O-N 3.07Å
300	Q	89.3	Confident	90.3	Very high	43 Å²	43	27.9 Å²	27.9	20%	0.201	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-40.9	-179.7	-177.9	176.9	-41.8	0	0	112.2	Y290 T296 R297 S302	Y290-Q300 HydrophobicContact CD1-CB 3.94Å; Y290-Q300 HydrophobicContact CD1-CG 3.83Å; Y290-Q300 HydrophobicContact CD2-CG 3.98Å; Y290-Q300 HydrophobicContact CE1-CB 4.27Å; Y290-Q300 HydrophobicContact CE1-CG 3.98Å; Y290-Q300 HydrophobicContact CE2-CG 4.11Å; Y290-Q300 HydrophobicContact CG-CB 4.26Å; Y290-Q300 HydrophobicContact CG-CG 3.83Å; T296-Q300 PolarHBondContact O-N 2.98Å; R297-Q300 VanDerWaalsContact O-CB 3.29Å; R297-Q300 WeakPolarHBondContact O-CB 3.41Å; R297-Q300 PolarHBondContact O-N 3.05Å; Q300-S302 PolarHBondContact O-N 2.65Å
301	D	87.7	Confident	90.6	Very high	35 Å²	35	26.5 Å²	26.5	19%	0.187	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23	173.9	-72.9	-30.5	0	0	0	112.4	L299 G305 N306 S307	L299-D301 PolarHBondContact O-N 3.11Å; D301-G305 CarbonylContact O-C 3.58Å; D301-G305 VanDerWaalsContact O-CA 3.31Å; D301-G305 WeakPolarHBondContact O-CA 3.49Å; D301-N306 CarbonylContact O-C 3.58Å; D301-N306 PolarHBondContact O-N 3.08Å; D301-S307 VanDerWaalsContact O-CB 3.29Å; D301-S307 WeakPolarHBondContact O-CB 3.44Å; D301-S307 PolarHBondContact O-N 3.43Å
302	S	88.5	Confident	91	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-24.3	-177	-46.7	0	0	0	0	114.4	T81 L299 Q300 T309 N340	T81-S302 WeakPolarHBondContact CG2-OG 3.39Å; T81-S302 WeakPolarHBondContact OG1-CB 3.35Å; T81-S302 PolarHBondContact OG1-OG 3.4Å; L299-S302 WeakPolarHBondContact O-CA 3.4Å; L299-S302 WeakPolarHBondContact O-CB 3.31Å; L299-S302 PolarHBondContact O-N 2.75Å; Q300-S302 PolarHBondContact O-N 2.65Å; S302-T309 WeakPolarHBondContact O-CB 3.45Å; S302-T309 PolarHBondContact O-OG1 3.3Å; S302-N340 PolarHBondContact O-ND2 3.41Å
303	L	88.7	Confident	91.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.085	C	C	.	.	S	Bend	trans	-127.3	96.8	-175.3	-63.9	176	0	0	0	110.2	V8 F83 L270 I274 L277 Y290 L299 G305 I338	V8-L303 HydrophobicContact CG2-CD2 4.44Å; F83-L303 HydrophobicContact CE1-CD2 4.25Å; F83-L303 HydrophobicContact CZ-CD2 4.33Å; L270-L303 HydrophobicContact CD1-CD1 3.51Å; L270-L303 HydrophobicContact CG-CD1 4.33Å; I274-L303 HydrophobicContact CD1-CD1 4.44Å; I274-L303 HydrophobicContact CG1-CD1 4.18Å; L277-L303 HydrophobicContact CD1-CB 4.02Å; L277-L303 WeakPolarHBondContact CD1-O 3.22Å; Y290-L303 WeakPolarHBondContact CE1-O 3.47Å; Y290-L303 PolarHBondContact OH-O 3.35Å; L299-L303 PolarHBondContact O-N 3.3Å; L299-L303 VanDerWaalsContact O-N 3.07Å; L303-G305 VanDerWaalsContact C-N 3.34Å; L303-I338 HydrophobicContact CD2-CD1 4.21Å
304	G	85.2	Confident	91.6	Very high	28 Å²	28	15.2 Å²	15.2	29%	0.289	8%	0.084	S	C	.	.	S	Bend	trans	85.9	-1.2	-172.6	0	0	0	0	0	114.7	N340	G304-N340 WeakPolarHBondContact CA-OD1 3.34Å; G304-N340 PolarHBondContact N-OD1 3.33Å
305	G	87.4	Confident	91.9	Very high	16 Å²	16	11.7 Å²	11.7	17%	0.165	7%	0.071	C	C	.	.	S	Bend	trans	-109.1	-155.9	-173.1	0	0	0	0	0	115.4	D301 L303 S307 N340 K341	D301-G305 CarbonylContact O-C 3.58Å; D301-G305 VanDerWaalsContact O-CA 3.31Å; D301-G305 WeakPolarHBondContact O-CA 3.49Å; L303-G305 VanDerWaalsContact C-N 3.34Å; G305-S307 PolarHBondContact O-N 3.37Å; G305-N340 WeakPolarHBondContact O-CB 3.25Å; G305-K341 PolarHBondContact O-N 3.41Å
306	N	88.5	Confident	91.9	Very high	32 Å²	32	11.7 Å²	11.7	17%	0.171	7%	0.071	C	C	.	.	S	Bend	trans	-91.1	71.1	-177.3	-179.9	13.6	0	0	0	112.6	N79 D301 K341 I343 N345	N79-N306 VanDerWaalsContact CB-O 3.28Å; N79-N306 WeakPolarHBondContact CB-O 3.13Å; N79-N306 PolarHBondContact ND2-O 3Å; D301-N306 CarbonylContact O-C 3.58Å; D301-N306 PolarHBondContact O-N 3.08Å; N306-K341 WeakPolarHBondContact CA-O 3.31Å; N306-I343 PolarHBondContact OD1-N 3.31Å; N306-I343 PolarHBondContact OD1-O 3.26Å; N306-N345 PolarHBondContact ND2-OD1 2.95Å
307	S	91.4	Very high	92	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	7%	0.071	C	C	.	.	S	Bend	trans	-159.2	135.8	171.9	-173.3	0	0	0	0	111.9	N79 V80 T81 D301 G305 T309 N340	N79-S307 WeakPolarHBondContact O-CA 3.48Å; N79-S307 PolarHBondContact O-OG 3.4Å; V80-S307 WeakPolarHBondContact CA-OG 3.47Å; V80-S307 PolarHBondContact N-OG 3.33Å; T81-S307 PolarHBondContact N-OG 3.03Å; T81-S307 VanDerWaalsContact N-OG 3.14Å; T81-S307 PolarHBondContact OG1-OG 3.44Å; D301-S307 VanDerWaalsContact O-CB 3.29Å; D301-S307 WeakPolarHBondContact O-CB 3.44Å; D301-S307 PolarHBondContact O-N 3.43Å; G305-S307 PolarHBondContact O-N 3.37Å; S307-T309 PolarHBondContact O-N 3.05Å; S307-T309 PolarHBondContact O-OG1 3.35Å; S307-N340 WeakPolarHBondContact O-CB 3.49Å; S307-N340 PolarHBondContact O-ND2 2.94Å
308	A	92.5	Very high	92	Very high	12 Å²	12	10 Å²	10	10%	0.099	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	111	167.4	0	0	0	0	0	108.7	N79 V80 T81 P342	N79-A308 PolarHBondContact O-N 2.95Å; V80-A308 VanDerWaalsContact CA-O 3.29Å; V80-A308 WeakPolarHBondContact CA-O 3.46Å; V80-A308 HydrophobicContact CG2-CB 4.34Å; T81-A308 PolarHBondContact N-O 3.07Å; T81-A308 VanDerWaalsContact N-O 3.08Å; A308-P342 HydrophobicContact CB-CB 4.29Å
309	T	94.7	Very high	92	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.025	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.8	-163.8	-62.4	0	0	0	0	113	V8 K9 T81 F83 S302 S307 N340	V8-T309 HydrophobicContact CG1-CG2 4.07Å; K9-T309 PolarHBondContact N-O 3.23Å; T81-T309 HydrophobicContact CG2-CG2 4.34Å; T81-T309 CarbonylContact O-C 3.51Å; T81-T309 VanDerWaalsContact O-CA 3.31Å; T81-T309 WeakPolarHBondContact O-CA 3.38Å; F83-T309 HydrophobicContact CD1-CG2 3.98Å; F83-T309 HydrophobicContact CE1-CG2 3.67Å; S302-T309 WeakPolarHBondContact O-CB 3.45Å; S302-T309 PolarHBondContact O-OG1 3.3Å; S307-T309 PolarHBondContact O-N 3.05Å; S307-T309 PolarHBondContact O-OG1 3.35Å; T309-N340 PolarHBondContact OG1-ND2 3.3Å
310	L	95.4	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.9	176.3	175.2	60.8	0	0	0	109.9	K9 Y51 A66 M70 T81 L82 F83 L312	K9-L310 HydrophobicContact CB-CD1 4.06Å; K9-L310 CarbonylContact O-C 3.56Å; K9-L310 WeakPolarHBondContact O-CA 3.5Å; Y51-L310 HydrophobicContact CE2-CD1 4.4Å; A66-L310 HydrophobicContact CB-CD2 4.01Å; A66-L310 WeakPolarHBondContact O-CD2 3.32Å; M70-L310 HydrophobicContact CE-CB 4.21Å; M70-L310 HydrophobicContact CG-CD2 4.45Å; T81-L310 PolarHBondContact O-N 2.9Å; L82-L310 WeakPolarHBondContact CA-O 3.45Å; L82-L310 HydrophobicContact CD1-CD2 3.84Å; L82-L310 HydrophobicContact CG-CB 4.41Å; L82-L310 HydrophobicContact CG-CD2 4.01Å; L82-L310 HydrophobicContact CG-CG 4.34Å; F83-L310 PolarHBondContact N-O 2.97Å; L310-L312 HydrophobicContact CD1-CD2 4.23Å; L310-L312 HydrophobicContact CD2-CD2 4.32Å; L310-L312 HydrophobicContact CG-CD2 4.24Å; L310-L312 HydrophobicContact CG-CG 4.36Å
311	M	96	Very high	91.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130	167.1	-180	-180	174.1	0	0	109.7	K9 V10 G11 F83 Y85 A313 Y331 A332 A335	K9-M311 PolarHBondContact O-N 3.24Å; V10-M311 WeakPolarHBondContact CA-O 3.4Å; V10-M311 HydrophobicContact CG2-CB 4.31Å; G11-M311 PolarHBondContact N-O 3.03Å; F83-M311 HydrophobicContact CD2-CG 4.21Å; F83-M311 HydrophobicContact CE1-CB 3.91Å; F83-M311 HydrophobicContact CE1-CG 4.41Å; F83-M311 HydrophobicContact CE2-CB 3.97Å; F83-M311 HydrophobicContact CE2-CG 3.54Å; F83-M311 HydrophobicContact CE2-SD 4.02Å; F83-M311 HydrophobicContact CZ-CB 3.6Å; F83-M311 HydrophobicContact CZ-CG 3.66Å; F83-M311 HydrophobicContact CZ-SD 4.06Å; Y85-M311 HydrophobicContact CD1-CE 3.55Å; Y85-M311 HydrophobicContact CE1-CE 4.43Å; Y85-M311 HydrophobicContact CG-CE 3.76Å; M311-A313 HydrophobicContact CE-CB 4.13Å; M311-Y331 HydrophobicContact CE-CD1 3.68Å; M311-Y331 HydrophobicContact CE-CE1 4.22Å; M311-Y331 HydrophobicContact SD-CD1 4.36Å; M311-A332 HydrophobicContact CE-CB 4.03Å; M311-A332 HydrophobicContact SD-CB 4.31Å; M311-A335 HydrophobicContact SD-CB 3.61Å
312	L	96.6	Very high	92.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.4	167.5	-65	-179.6	0	0	0	109.9	G11 L82 F83 A84 Y85 T95 I111 L310 C314	G11-L312 CarbonylContact O-C 3.54Å; G11-L312 WeakPolarHBondContact O-CA 3.33Å; L82-L312 HydrophobicContact CD2-CD1 3.89Å; L82-L312 HydrophobicContact CD2-CG 4.48Å; L82-L312 HydrophobicContact CG-CD1 4.49Å; F83-L312 PolarHBondContact O-N 3.41Å; A84-L312 CarbonylContact C-O 3.56Å; A84-L312 WeakPolarHBondContact CA-O 3.45Å; Y85-L312 PolarHBondContact N-O 2.99Å; T95-L312 HydrophobicContact CG2-CD1 4.02Å; I111-L312 HydrophobicContact CD1-CD1 3.33Å; L310-L312 HydrophobicContact CD1-CD2 4.23Å; L310-L312 HydrophobicContact CD2-CD2 4.32Å; L310-L312 HydrophobicContact CG-CD2 4.24Å; L310-L312 HydrophobicContact CG-CG 4.36Å; L312-C314 PolarHBondContact O-N 2.98Å
313	A	96.8	Very high	92.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	98	177.8	0	0	0	0	0	109.9	G11 V12 R13 Y85 M311 T328 A332	G11-A313 PolarHBondContact O-N 3.42Å; V12-A313 WeakPolarHBondContact CA-O 3.43Å; V12-A313 HydrophobicContact CG2-CB 4.13Å; R13-A313 PolarHBondContact N-O 2.99Å; Y85-A313 CarbonylContact O-C 3.57Å; Y85-A313 WeakPolarHBondContact O-CA 3.28Å; M311-A313 HydrophobicContact CE-CB 4.13Å; A313-T328 HydrophobicContact CB-CG2 4.04Å; A313-A332 HydrophobicContact CB-CB 3.89Å
314	C	96.4	Very high	92.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.1	177	-60.9	0	0	0	0	110.4	R13 Y85 S90 K92 L312	R13-C314 WeakPolarHBondContact O-CA 3.4Å; Y85-C314 PolarHBondContact O-N 3.28Å; S90-C314 WeakPolarHBondContact CB-O 3.41Å; K92-C314 HydrophobicContact CG-CB 3.92Å; L312-C314 PolarHBondContact O-N 2.98Å
315	V	96.2	Very high	92.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153	-176.5	-65	0	0	0	0	112.7	V12 R13 V14 R15 L30 T325 T328	V12-V315 HydrophobicContact CG1-CG2 3.95Å; R13-V315 PolarHBondContact O-N 2.77Å; V14-V315 HydrophobicContact CB-CG2 4.24Å; V14-V315 HydrophobicContact CG1-CG2 4.36Å; V14-V315 HydrophobicContact CG2-CG2 3.75Å; R15-V315 PolarHBondContact N-O 2.9Å; L30-V315 HydrophobicContact CD1-CG2 4.07Å; V315-T325 HydrophobicContact CB-CG2 3.81Å; V315-T325 HydrophobicContact CG1-CG2 3.97Å; V315-T325 HydrophobicContact CG2-CG2 4.27Å; V315-T328 HydrophobicContact CG1-CG2 3.57Å
316	S	94.1	Very high	93	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.			trans	-90.2	139.1	166.7	178.5	0	0	0	0	109.8	R15 E21 A318 T325	R15-S316 PolarHBondContact NH1-OG 3.46Å; R15-S316 PolarHBondContact NH2-OG 2.92Å; E21-S316 PolarHBondContact OE1-OG 2.8Å; S316-A318 VanDerWaalsContact C-N 3.27Å; S316-A318 WeakPolarHBondContact OG-CB 3.39Å; S316-A318 PolarHBondContact OG-N 3.29Å; S316-A318 VanDerWaalsContact OG-N 3.15Å; S316-T325 PolarHBondContact O-OG1 2.96Å
317	P	92.8	Very high	93.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.103	C	C	.	.			trans	-74.1	-15.5	170.9	28.8	-32	0	0	0	113	V14 R15 L17 T28 C29 L30 E55	V14-P317 HydrophobicContact CG1-CB 3.78Å; V14-P317 HydrophobicContact CG1-CG 3.98Å; R15-P317 WeakPolarHBondContact O-CD 3.49Å; R15-P317 VanDerWaalsContact O-CG 3.23Å; R15-P317 WeakPolarHBondContact O-CG 3.27Å; L17-P317 HydrophobicContact CD2-CG 3.88Å; L17-P317 HydrophobicContact CG-CG 4.09Å; T28-P317 CarbonylContact C-O 3.53Å; T28-P317 WeakPolarHBondContact CA-O 3.31Å; T28-P317 HydrophobicContact CG2-CB 3.94Å; C29-P317 PolarHBondContact N-O 2.92Å; C29-P317 PolarHBondContact SG-O 2.81Å; L30-P317 HydrophobicContact CD1-CB 4.39Å; E55-P317 HydrophobicContact CG-CG 4.46Å
318	A	92.3	Very high	93.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-65	134.3	-173.7	0	0	0	0	0	113.2	L17 E21 S316 I320 N321 M322	L17-A318 HydrophobicContact CD2-CB 3.66Å; E21-A318 HydrophobicContact CB-CB 4.27Å; E21-A318 VanDerWaalsContact CD-CB 3.45Å; E21-A318 HydrophobicContact CG-CB 3.88Å; E21-A318 WeakPolarHBondContact OE1-CB 3.46Å; S316-A318 VanDerWaalsContact C-N 3.27Å; S316-A318 WeakPolarHBondContact OG-CB 3.39Å; S316-A318 PolarHBondContact OG-N 3.29Å; S316-A318 VanDerWaalsContact OG-N 3.15Å; A318-I320 VanDerWaalsContact C-N 3.34Å; A318-I320 HydrophobicContact CB-CG2 3.99Å; A318-I320 PolarHBondContact O-N 2.94Å; A318-N321 CarbonylContact O-C 3.58Å; A318-N321 WeakPolarHBondContact O-CA 3.23Å; A318-N321 WeakPolarHBondContact O-CB 3.37Å; A318-N321 PolarHBondContact O-N 3.19Å; A318-M322 PolarHBondContact O-N 2.91Å
319	D	90.1	Very high	93.5	Very high	63 Å²	63	19.4 Å²	19.4	34%	0.337	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-53.1	-40.5	174.9	51.4	14.1	0	0	0	114.4	S26 S27 C29 N321 M322	S26-D319 WeakPolarHBondContact CA-OD1 3.45Å; S26-D319 WeakPolarHBondContact CB-OD1 3.38Å; S27-D319 WeakPolarHBondContact CA-OD2 3.44Å; S27-D319 WeakPolarHBondContact CB-OD2 3.43Å; S27-D319 VanDerWaalsContact N-CG 3.3Å; S27-D319 PolarHBondContact N-OD1 3.15Å; S27-D319 PolarHBondContact N-OD2 3.19Å; S27-D319 PolarHBondContact O-N 2.99Å; S27-D319 PolarHBondContact OG-OD2 3.14Å; C29-D319 HydrophobicContact CB-CB 4.26Å; D319-N321 PolarHBondContact O-N 2.85Å; D319-N321 VanDerWaalsContact O-N 3.09Å; D319-M322 WeakPolarHBondContact O-CB 3.39Å; D319-M322 PolarHBondContact O-N 2.68Å
320	I	89	Confident	93.5	Very high	101 Å²	101	25.3 Å²	25.3	52%	0.518	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-57.3	-24.4	172.9	-166.3	169.7	0	0	0	113.1	K249 A318	K249-I320 PolarHBondContact NZ-O 3.04Å; A318-I320 VanDerWaalsContact C-N 3.34Å; A318-I320 HydrophobicContact CB-CG2 3.99Å; A318-I320 PolarHBondContact O-N 2.94Å
321	N	90.3	Very high	93.4	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.118	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-100.6	-1.1	178	-75.1	-48.6	0	0	0	113.7	E21 Q87 A318 D319 E323 E324 T325	E21-N321 PolarHBondContact OE1-ND2 2.83Å; Q87-N321 PolarHBondContact NE2-OD1 3.35Å; Q87-N321 PolarHBondContact OE1-OD1 3.48Å; A318-N321 CarbonylContact O-C 3.58Å; A318-N321 WeakPolarHBondContact O-CA 3.23Å; A318-N321 WeakPolarHBondContact O-CB 3.37Å; A318-N321 PolarHBondContact O-N 3.19Å; D319-N321 PolarHBondContact O-N 2.85Å; D319-N321 VanDerWaalsContact O-N 3.09Å; N321-E323 VanDerWaalsContact C-N 3.29Å; N321-E323 PolarHBondContact O-N 2.86Å; N321-E323 VanDerWaalsContact O-N 3.1Å; N321-E324 PolarHBondContact O-N 2.82Å; N321-T325 PolarHBondContact O-N 2.84Å
322	M	90.7	Very high	93.3	Very high	63 Å²	63	25.8 Å²	25.8	31%	0.31	12%	0.122	S	C	.	.	H	α-helix	trans	-51	-39.7	-174.4	-172	-164.8	-167.7	0	0	114.2	C29 I41 A318 D319 L326	C29-M322 HydrophobicContact CB-CB 4.39Å; C29-M322 HydrophobicContact CB-CG 4.18Å; I41-M322 HydrophobicContact CD1-CG 3.72Å; I41-M322 WeakPolarHBondContact CD1-O 2.79Å; I41-M322 HydrophobicContact CG1-CE 3.94Å; I41-M322 HydrophobicContact CG1-CG 3.94Å; A318-M322 PolarHBondContact O-N 2.91Å; D319-M322 WeakPolarHBondContact O-CB 3.39Å; D319-M322 PolarHBondContact O-N 2.68Å; M322-L326 VanDerWaalsContact O-CB 3.26Å; M322-L326 WeakPolarHBondContact O-CB 3.43Å; M322-L326 PolarHBondContact O-N 3.48Å
323	E	90.4	Very high	93.1	Very high	91 Å²	91	28.2 Å²	28.2	43%	0.425	14%	0.135	S	C	.	.	H	α-helix	trans	-65.9	-40.4	179.1	-159.9	-161.5	168.5	0	0	112.3	R246 N321 L326 N327	R246-E323 IonicContact CZ-OE1 2.68Å; R246-E323 IonicContact NH1-OE1 3.84Å; R246-E323 PolarHBondContact NH1-OE1 2.81Å; R246-E323 IonicContact NH2-OE1 3.39Å; R246-E323 PolarHBondContact NH2-OE1 3.01Å; R246-E323 VanDerWaalsContact NH2-OE1 3.12Å; N321-E323 VanDerWaalsContact C-N 3.29Å; N321-E323 PolarHBondContact O-N 2.86Å; N321-E323 VanDerWaalsContact O-N 3.1Å; E323-L326 WeakPolarHBondContact O-CB 3.49Å; E323-L326 PolarHBondContact O-N 3.01Å; E323-N327 WeakPolarHBondContact O-CB 3.49Å; E323-N327 PolarHBondContact O-N 3.24Å; E323-N327 PolarHBondContact O-ND2 3.42Å; E323-N327 VanDerWaalsContact O-ND2 3.11Å
324	E	92.6	Very high	92.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-80	-32.2	-177.4	-58.3	-67.7	-154.2	0	0	111.5	Q87 E245 R246 K249 N321 N327 T328	Q87-E324 HydrophobicContact CB-CB 4.49Å; E245-E324 WeakPolarHBondContact CA-OE1 3.45Å; R246-E324 PolarHBondContact N-OE1 2.77Å; K249-E324 HydrophobicContact CD-CG 4.2Å; N321-E324 PolarHBondContact O-N 2.82Å; E324-N327 PolarHBondContact O-N 3.15Å; E324-N327 PolarHBondContact OE2-ND2 2.95Å; E324-T328 VanDerWaalsContact O-CB 3.28Å; E324-T328 WeakPolarHBondContact O-CB 3.38Å; E324-T328 PolarHBondContact O-N 3.31Å; E324-T328 PolarHBondContact O-OG1 3.41Å
325	T	93.5	Very high	92.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-46.3	163.9	-69.1	0	0	0	0	110.6	L30 I41 V315 S316 N321 N327 T328 L329	L30-T325 HydrophobicContact CD1-CG2 4.18Å; L30-T325 HydrophobicContact CD2-CG2 4.04Å; L30-T325 HydrophobicContact CG-CG2 4.45Å; I41-T325 HydrophobicContact CD1-CG2 3.81Å; V315-T325 HydrophobicContact CB-CG2 3.81Å; V315-T325 HydrophobicContact CG1-CG2 3.97Å; V315-T325 HydrophobicContact CG2-CG2 4.27Å; S316-T325 PolarHBondContact O-OG1 2.96Å; N321-T325 PolarHBondContact O-N 2.84Å; T325-N327 PolarHBondContact O-N 2.95Å; T325-T328 WeakPolarHBondContact O-CB 3.47Å; T325-T328 PolarHBondContact O-N 2.76Å; T325-L329 HydrophobicContact CG2-CD1 3.96Å; T325-L329 HydrophobicContact CG2-CG 4.44Å; T325-L329 VanDerWaalsContact O-CG 3.25Å; T325-L329 WeakPolarHBondContact O-CG 3.39Å; T325-L329 PolarHBondContact O-N 3.33Å
326	L	93.3	Very high	92.4	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-42.1	175.4	-177.8	59.9	0	0	0	112.8	I41 K45 F47 M322 E323 T328 L329 R330	I41-L326 HydrophobicContact CD1-CB 3.96Å; I41-L326 HydrophobicContact CG2-CD1 3.92Å; K45-L326 HydrophobicContact CD-CD1 3.97Å; K45-L326 HydrophobicContact CD-CD2 4.25Å; F47-L326 HydrophobicContact CE2-CD1 3.85Å; F47-L326 HydrophobicContact CZ-CD1 3.81Å; M322-L326 VanDerWaalsContact O-CB 3.26Å; M322-L326 WeakPolarHBondContact O-CB 3.43Å; M322-L326 PolarHBondContact O-N 3.48Å; E323-L326 WeakPolarHBondContact O-CB 3.49Å; E323-L326 PolarHBondContact O-N 3.01Å; L326-T328 VanDerWaalsContact C-N 3.32Å; L326-L329 PolarHBondContact O-N 2.98Å; L326-R330 HydrophobicContact CD1-CG 4.34Å; L326-R330 WeakPolarHBondContact O-CB 3.4Å; L326-R330 VanDerWaalsContact O-CG 3.3Å; L326-R330 WeakPolarHBondContact O-CG 3.18Å; L326-R330 PolarHBondContact O-N 3.28Å
327	N	92.7	Very high	92.2	Very high	34 Å²	34	39.5 Å²	39.5	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-43.5	174.9	-70.1	-34.9	0	0	0	110.9	R246 E323 E324 T325 R330 Y331	R246-N327 PolarHBondContact NE-ND2 2.9Å; R246-N327 VanDerWaalsContact NH2-CG 3.32Å; R246-N327 PolarHBondContact NH2-ND2 3.35Å; R246-N327 PolarHBondContact NH2-OD1 2.96Å; E323-N327 WeakPolarHBondContact O-CB 3.49Å; E323-N327 PolarHBondContact O-N 3.24Å; E323-N327 PolarHBondContact O-ND2 3.42Å; E323-N327 VanDerWaalsContact O-ND2 3.11Å; E324-N327 PolarHBondContact O-N 3.15Å; E324-N327 PolarHBondContact OE2-ND2 2.95Å; T325-N327 PolarHBondContact O-N 2.95Å; N327-R330 PolarHBondContact O-N 2.99Å; N327-Y331 WeakPolarHBondContact O-CB 3.38Å; N327-Y331 PolarHBondContact O-N 2.71Å
328	T	94.8	Very high	92.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-45.2	178.5	-60.3	0	0	0	0	111.8	Y85 A313 V315 E324 T325 L326 Y331 A332	Y85-T328 HydrophobicContact CD1-CG2 4.02Å; Y85-T328 HydrophobicContact CE1-CG2 4.18Å; A313-T328 HydrophobicContact CB-CG2 4.04Å; V315-T328 HydrophobicContact CG1-CG2 3.57Å; E324-T328 VanDerWaalsContact O-CB 3.28Å; E324-T328 WeakPolarHBondContact O-CB 3.38Å; E324-T328 PolarHBondContact O-N 3.31Å; E324-T328 PolarHBondContact O-OG1 3.41Å; T325-T328 WeakPolarHBondContact O-CB 3.47Å; T325-T328 PolarHBondContact O-N 2.76Å; L326-T328 VanDerWaalsContact C-N 3.32Å; T328-Y331 WeakPolarHBondContact O-CB 3.19Å; T328-Y331 PolarHBondContact O-N 3.15Å; T328-Y331 VanDerWaalsContact O-N 3.15Å; T328-A332 WeakPolarHBondContact O-CB 3.47Å; T328-A332 PolarHBondContact O-N 3.01Å
329	L	94.9	Very high	91.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-42.6	176.6	-66.5	168.6	0	0	0	112.3	V12 L30 L39 I41 F47 F49 T325 L326 Y331 A332 D333	V12-L329 HydrophobicContact CG1-CD2 4.01Å; V12-L329 HydrophobicContact CG2-CD2 3.84Å; L30-L329 HydrophobicContact CD2-CD1 4.43Å; L39-L329 HydrophobicContact CD1-CD1 3.58Å; L39-L329 HydrophobicContact CD1-CD2 3.78Å; L39-L329 HydrophobicContact CD1-CG 4.31Å; L39-L329 HydrophobicContact CD2-CD2 3.87Å; L39-L329 HydrophobicContact CG-CD2 4.44Å; I41-L329 HydrophobicContact CB-CD1 4.27Å; I41-L329 HydrophobicContact CD1-CD1 4.21Å; I41-L329 HydrophobicContact CG2-CD1 4.18Å; F47-L329 HydrophobicContact CD1-CB 4.38Å; F47-L329 HydrophobicContact CD2-CB 4.24Å; F47-L329 HydrophobicContact CD2-CD1 4.18Å; F47-L329 HydrophobicContact CE1-CB 4.28Å; F47-L329 HydrophobicContact CE2-CB 4.14Å; F47-L329 HydrophobicContact CE2-CD1 4.27Å; F47-L329 HydrophobicContact CG-CB 4.36Å; F47-L329 HydrophobicContact CZ-CB 4.16Å; F49-L329 HydrophobicContact CE2-CD2 3.76Å; F49-L329 HydrophobicContact CZ-CB 4.4Å; F49-L329 HydrophobicContact CZ-CD2 3.84Å; T325-L329 HydrophobicContact CG2-CD1 3.96Å; T325-L329 HydrophobicContact CG2-CG 4.44Å; T325-L329 VanDerWaalsContact O-CG 3.25Å; T325-L329 WeakPolarHBondContact O-CG 3.39Å; T325-L329 PolarHBondContact O-N 3.33Å; L326-L329 PolarHBondContact O-N 2.98Å; L329-Y331 PolarHBondContact O-N 3.17Å; L329-A332 PolarHBondContact O-N 3.34Å; L329-D333 PolarHBondContact O-N 3.26Å
330	R	93.9	Very high	91.9	Very high	128 Å²	128	44 Å²	44	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-68.2	-20.2	173.8	-72.9	172.5	165.7	-179.5	-6	113.9	F47 L326 N327 R334	F47-R330 HydrophobicContact CE1-CG 4.02Å; F47-R330 HydrophobicContact CZ-CG 3.88Å; L326-R330 HydrophobicContact CD1-CG 4.34Å; L326-R330 WeakPolarHBondContact O-CB 3.4Å; L326-R330 VanDerWaalsContact O-CG 3.3Å; L326-R330 WeakPolarHBondContact O-CG 3.18Å; L326-R330 PolarHBondContact O-N 3.28Å; N327-R330 PolarHBondContact O-N 2.99Å; R330-R334 PolarHBondContact O-NE 3.48Å
331	Y	93.6	Very high	91.7	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.039	21%	0.208	C	C	.	.	H	α-helix	trans	-79.9	-46.1	172.1	-164.3	-79	0	0	0	110.2	Y85 L270 G271 I274 M311 N327 T328 L329 R334 A335	Y85-Y331 HydrophobicContact CD1-CD1 4.09Å; Y85-Y331 HydrophobicContact CD1-CE1 4.42Å; Y85-Y331 HydrophobicContact CD1-CG 4.45Å; Y85-Y331 HydrophobicContact CD2-CD1 4.5Å; Y85-Y331 HydrophobicContact CD2-CE1 4.03Å; Y85-Y331 AromaticContact CE1-CD1 3.81Å; Y85-Y331 HydrophobicContact CE1-CD1 3.81Å; Y85-Y331 HydrophobicContact CE1-CD2 4.15Å; Y85-Y331 HydrophobicContact CE1-CE1 4.24Å; Y85-Y331 AromaticContact CE1-CG 3.73Å; Y85-Y331 HydrophobicContact CE1-CG 3.73Å; Y85-Y331 HydrophobicContact CE2-CD1 4.22Å; Y85-Y331 HydrophobicContact CE2-CD2 4.31Å; Y85-Y331 AromaticContact CE2-CE1 3.8Å; Y85-Y331 HydrophobicContact CE2-CE1 3.8Å; Y85-Y331 AromaticContact CE2-CE2 3.93Å; Y85-Y331 HydrophobicContact CE2-CE2 3.93Å; Y85-Y331 HydrophobicContact CE2-CG 4.43Å; Y85-Y331 AromaticContact CE2-CZ 3.64Å; Y85-Y331 HydrophobicContact CG-CD1 4.45Å; Y85-Y331 HydrophobicContact CG-CE1 4.34Å; Y85-Y331 AromaticContact CZ-CD1 3.87Å; Y85-Y331 AromaticContact CZ-CD2 3.66Å; Y85-Y331 AromaticContact CZ-CE1 3.92Å; Y85-Y331 AromaticContact CZ-CE2 3.74Å; Y85-Y331 AromaticContact CZ-CG 3.72Å; Y85-Y331 AromaticContact CZ-CZ 3.85Å; Y85-Y331 VanDerWaalsContact OH-CD2 3.25Å; Y85-Y331 WeakPolarHBondContact OH-CD2 3.49Å; Y85-Y331 WeakPolarHBondContact OH-CE2 3.34Å; L270-Y331 WeakPolarHBondContact CB-OH 3.45Å; L270-Y331 WeakPolarHBondContact CD2-OH 3.42Å; L270-Y331 WeakPolarHBondContact CG-OH 3.49Å; G271-Y331 PolarHBondContact N-OH 3Å; I274-Y331 HydrophobicContact CD1-CD1 4.06Å; I274-Y331 HydrophobicContact CD1-CE1 3.28Å; M311-Y331 HydrophobicContact CE-CD1 3.68Å; M311-Y331 HydrophobicContact CE-CE1 4.22Å; M311-Y331 HydrophobicContact SD-CD1 4.36Å; N327-Y331 WeakPolarHBondContact O-CB 3.38Å; N327-Y331 PolarHBondContact O-N 2.71Å; T328-Y331 WeakPolarHBondContact O-CB 3.19Å; T328-Y331 PolarHBondContact O-N 3.15Å; T328-Y331 VanDerWaalsContact O-N 3.15Å; L329-Y331 PolarHBondContact O-N 3.17Å; Y331-R334 PolarHBondContact O-N 3.3Å; Y331-A335 PolarHBondContact O-N 2.94Å
332	A	93.6	Very high	91.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-45.6	178.6	0	0	0	0	0	112.9	V10 F49 M311 A313 T328 L329 R334 A335 R336	V10-A332 HydrophobicContact CG1-CB 3.71Å; F49-A332 HydrophobicContact CD1-CB 4.46Å; F49-A332 HydrophobicContact CE1-CB 3.69Å; F49-A332 HydrophobicContact CZ-CB 4.29Å; M311-A332 HydrophobicContact CE-CB 4.03Å; M311-A332 HydrophobicContact SD-CB 4.31Å; A313-A332 HydrophobicContact CB-CB 3.89Å; T328-A332 WeakPolarHBondContact O-CB 3.47Å; T328-A332 PolarHBondContact O-N 3.01Å; L329-A332 PolarHBondContact O-N 3.34Å; A332-R334 VanDerWaalsContact C-N 3.33Å; A332-R334 PolarHBondContact O-N 3.27Å; A332-A335 WeakPolarHBondContact O-CB 3.22Å; A332-A335 PolarHBondContact O-N 3.36Å; A332-A335 VanDerWaalsContact O-N 3.15Å; A332-R336 PolarHBondContact O-N 3.04Å; A332-R336 VanDerWaalsContact O-N 3.14Å
333	D	92.6	Very high	91.3	Very high	52 Å²	52	48.2 Å²	48.2	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-65.5	-36.7	179.9	179.3	60.3	0	0	0	112.2	F47 F49 L329 R336	F47-D333 HydrophobicContact CD1-CB 4.31Å; F49-D333 HydrophobicContact CE1-CB 4.13Å; F49-D333 HydrophobicContact CZ-CB 4.5Å; L329-D333 PolarHBondContact O-N 3.26Å; D333-R336 IonicContact OD1-CZ 3.2Å; D333-R336 IonicContact OD1-NE 2.97Å; D333-R336 IonicContact OD1-NH2 2.7Å; D333-R336 PolarHBondContact OD1-NH2 2.79Å
334	R	92	Very high	90.9	Very high	83 Å²	83	46.6 Å²	46.6	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-48.7	169.7	-77.7	-177.3	-67.5	158	1.5	111.4	I274 S275 C278 R330 Y331 A332 R336 L337	I274-R334 HydrophobicContact CG2-CB 3.89Å; S275-R334 PolarHBondContact OG-NH1 2.91Å; C278-R334 VanDerWaalsContact SG-C 3.58Å; C278-R334 PolarHBondContact SG-O 2.92Å; R330-R334 PolarHBondContact O-NE 3.48Å; Y331-R334 PolarHBondContact O-N 3.3Å; A332-R334 VanDerWaalsContact C-N 3.33Å; A332-R334 PolarHBondContact O-N 3.27Å; R334-R336 PolarHBondContact O-N 2.79Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 3.37Å
335	A	92.4	Very high	90.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.9	-39.6	-178.7	0	0	0	0	0	112.4	V10 I274 M311 Y331 A332 L337 I338	V10-A335 HydrophobicContact CG2-CB 4.38Å; I274-A335 HydrophobicContact CD1-CB 4.4Å; M311-A335 HydrophobicContact SD-CB 3.61Å; Y331-A335 PolarHBondContact O-N 2.94Å; A332-A335 WeakPolarHBondContact O-CB 3.22Å; A332-A335 PolarHBondContact O-N 3.36Å; A332-A335 VanDerWaalsContact O-N 3.15Å; A335-L337 PolarHBondContact O-N 3.28Å; A335-I338 VanDerWaalsContact O-CB 3.29Å; A335-I338 WeakPolarHBondContact O-CB 3.47Å; A335-I338 WeakPolarHBondContact O-CG1 3.42Å; A335-I338 PolarHBondContact O-N 3.19Å
336	R	91.4	Very high	89.6	Confident	68 Å²	68	55.9 Å²	55.9	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-25.7	176.5	-168.1	176	53	164	-10.5	114.7	V8 V10 G48 D50 A332 D333 R334 I338	V8-R336 WeakPolarHBondContact O-CA 3.35Å; V10-R336 HydrophobicContact CB-CB 4.37Å; V10-R336 HydrophobicContact CG2-CB 3.66Å; V10-R336 HydrophobicContact CG2-CG 4.3Å; G48-R336 PolarHBondContact O-NH1 3.07Å; G48-R336 PolarHBondContact O-NH2 3.5Å; D50-R336 WeakPolarHBondContact OD1-CD 3.27Å; D50-R336 WeakPolarHBondContact OD2-CD 3.3Å; A332-R336 PolarHBondContact O-N 3.04Å; A332-R336 VanDerWaalsContact O-N 3.14Å; D333-R336 IonicContact OD1-CZ 3.2Å; D333-R336 IonicContact OD1-NE 2.97Å; D333-R336 IonicContact OD1-NH2 2.7Å; D333-R336 PolarHBondContact OD1-NH2 2.79Å; R334-R336 PolarHBondContact O-N 2.79Å; R336-I338 PolarHBondContact O-N 3.26Å
337	L	89.4	Confident	88.3	Confident	88 Å²	88	55.6 Å²	55.6	46%	0.461	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.6	178.2	-58.4	176.9	0	0	0	113.1	C278 R334 A335	C278-L337 HydrophobicContact CB-CB 4.49Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 3.37Å; A335-L337 PolarHBondContact O-N 3.28Å
338	I	90.1	Very high	87.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	27%	0.271	C	S	.	.			trans	-73.9	135.2	179	-58.5	176.8	0	0	0	109.5	S7 V8 I274 L277 L303 A335 R336	S7-I338 WeakPolarHBondContact CA-O 3.46Å; V8-I338 HydrophobicContact CB-CB 4.49Å; V8-I338 HydrophobicContact CG2-CB 3.87Å; V8-I338 HydrophobicContact CG2-CG2 3.94Å; V8-I338 PolarHBondContact N-O 3.46Å; I274-I338 HydrophobicContact CB-CD1 4.14Å; I274-I338 HydrophobicContact CG1-CD1 3.77Å; I274-I338 HydrophobicContact CG2-CD1 4.08Å; L277-I338 HydrophobicContact CB-CD1 4.06Å; L277-I338 HydrophobicContact CB-CG1 3.85Å; L277-I338 HydrophobicContact CB-CG2 4.31Å; L277-I338 HydrophobicContact CD1-CD1 3.93Å; L277-I338 HydrophobicContact CD1-CG1 4.43Å; L277-I338 HydrophobicContact CD1-CG2 4.08Å; L303-I338 HydrophobicContact CD2-CD1 4.21Å; A335-I338 VanDerWaalsContact O-CB 3.29Å; A335-I338 WeakPolarHBondContact O-CB 3.47Å; A335-I338 WeakPolarHBondContact O-CG1 3.42Å; A335-I338 PolarHBondContact O-N 3.19Å; R336-I338 PolarHBondContact O-N 3.26Å
339	K	88.1	Confident	85.3	Confident	153 Å²	153	64.1 Å²	64.1	67%	0.665	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-110.4	117.8	174.6	-60.8	-169.8	178.4	-165.4	0	110.2
340	N	89.9	Confident	83.7	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.016	34%	0.336	C	S	.	.			trans	-88.7	175.2	172.5	-70.1	8.9	0	0	0	110.1	T6 S302 G304 G305 S307 T309	T6-N340 WeakPolarHBondContact CB-O 3.29Å; T6-N340 PolarHBondContact O-N 3.09Å; S302-N340 PolarHBondContact O-ND2 3.41Å; G304-N340 WeakPolarHBondContact CA-OD1 3.34Å; G304-N340 PolarHBondContact N-OD1 3.33Å; G305-N340 WeakPolarHBondContact O-CB 3.25Å; S307-N340 WeakPolarHBondContact O-CB 3.49Å; S307-N340 PolarHBondContact O-ND2 2.94Å; T309-N340 PolarHBondContact OG1-ND2 3.3Å
341	K	86.6	Confident	82.1	Confident	154 Å²	154	70.8 Å²	70.8	67%	0.67	34%	0.339	S	S	*	.			trans	-134.8	78.1	171.4	-68.1	-176.2	-178.9	178.6	0	109.4	G305 N306 I343	G305-K341 PolarHBondContact O-N 3.41Å; N306-K341 WeakPolarHBondContact CA-O 3.31Å; K341-I343 PolarHBondContact O-N 2.68Å
342	P	86.5	Confident	80.4	Confident	23 Å²	23	70.9 Å²	70.9	15%	0.149	34%	0.341	C	S	.	.			trans	-62.7	122.6	174	27.3	-33.8	0	0	0	109.8	I3 Y78 A308	I3-P342 HydrophobicContact CB-CG 4.32Å; I3-P342 HydrophobicContact CD1-CB 3.95Å; I3-P342 HydrophobicContact CD1-CG 3.83Å; I3-P342 HydrophobicContact CG2-CG 4.31Å; Y78-P342 HydrophobicContact CD1-CB 4.11Å; A308-P342 HydrophobicContact CB-CB 4.29Å
343	I	84.6	Confident	79	Confident	98 Å²	98	75.4 Å²	75.4	50%	0.503	36%	0.362	S	S	.	.			trans	-117.2	143.5	-179.9	-65.7	160	0	0	0	107.7	N306 K341 N345	N306-I343 PolarHBondContact OD1-N 3.31Å; N306-I343 PolarHBondContact OD1-O 3.26Å; K341-I343 PolarHBondContact O-N 2.68Å; I343-N345 PolarHBondContact O-N 2.68Å
344	L	83	Confident	77.7	Confident	58 Å²	58	76.7 Å²	76.7	30%	0.304	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-69.6	108.1	172.7	-172.1	71.8	0	0	0	109.4	K76 Y78 L232 R346	K76-L344 WeakPolarHBondContact O-CD1 3.45Å; Y78-L344 HydrophobicContact CE1-CB 4.3Å; Y78-L344 HydrophobicContact CE2-CD1 4.35Å; L232-L344 HydrophobicContact CD1-CD1 4.03Å; L232-L344 HydrophobicContact CD1-CD2 4.45Å; L232-L344 HydrophobicContact CD1-CG 4.39Å; L232-L344 HydrophobicContact CD2-CD2 4.22Å; L232-L344 HydrophobicContact CD2-CG 4.14Å; L344-R346 PolarHBondContact O-N 3.32Å
345	N	80.4	Confident	76.2	Confident	28 Å²	28	74.2 Å²	74.2	15%	0.15	37%	0.366	C	S	.	.			trans	-81.4	104.1	-174.4	-38.4	-83.9	0	0	0	110.6	N79 L232 T233 N306 I343	N79-N345 VanDerWaalsContact CG-ND2 3.34Å; N79-N345 PolarHBondContact ND2-ND2 3.08Å; N79-N345 PolarHBondContact ND2-OD1 3.44Å; N79-N345 PolarHBondContact OD1-ND2 3.02Å; L232-N345 CarbonylContact C-O 3.55Å; L232-N345 VanDerWaalsContact CA-O 3.28Å; L232-N345 WeakPolarHBondContact CA-O 3.35Å; T233-N345 PolarHBondContact N-O 3.21Å; T233-N345 WeakPolarHBondContact O-CB 3.41Å; T233-N345 PolarHBondContact O-ND2 2.85Å; T233-N345 WeakPolarHBondContact OG1-CB 3.39Å; N306-N345 PolarHBondContact ND2-OD1 2.95Å; I343-N345 PolarHBondContact O-N 2.68Å
346	R	78.4	Confident	74.8	Confident	168 Å²	168	80.2 Å²	80.2	63%	0.634	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-73.1	133.3	166.8	-63.2	165.7	-175.9	-139	4	108.9	D230 L232 L344	D230-R346 HydrophobicContact CB-CB 4.21Å; D230-R346 HydrophobicContact CB-CG 3.9Å; D230-R346 WeakPolarHBondContact OD2-CD 3.46Å; D230-R346 IonicContact OD2-CZ 2.62Å; D230-R346 VanDerWaalsContact OD2-CZ 3.26Å; D230-R346 IonicContact OD2-NE 2.74Å; D230-R346 PolarHBondContact OD2-NE 3.34Å; D230-R346 IonicContact OD2-NH1 3.89Å; D230-R346 PolarHBondContact OD2-NH1 3.13Å; L232-R346 HydrophobicContact CD2-CG 3.94Å; L344-R346 PolarHBondContact O-N 3.32Å
347	A	66	Low	73.8	Confident	17 Å²	17	81.3 Å²	81.3	14%	0.14	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-76.8	143.1	175.2	0	0	0	0	0	110.2	L215 T231 T233	L215-A347 HydrophobicContact CD1-CB 4.43Å; T231-A347 HydrophobicContact CG2-CB 3.89Å; T231-A347 WeakPolarHBondContact O-CB 3.42Å; T231-A347 PolarHBondContact O-N 2.94Å; T233-A347 HydrophobicContact CG2-CB 4.14Å
348	D	66.6	Low	73	Confident	113 Å²	113	85 Å²	85	60%	0.604	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-60.7	128.7	164.5	-95.6	-57.5	0	0	0	108.9	K350 D351 A352	D348-K350 PolarHBondContact O-N 3.37Å; D348-D351 HydrophobicContact CB-CB 4.42Å; D348-D351 PolarHBondContact O-N 3.49Å; D348-A352 PolarHBondContact O-N 2.93Å; D348-A352 VanDerWaalsContact O-N 3.13Å
349	P	57.7	Low	72.1	Confident	100 Å²	100	87.8 Å²	87.8	65%	0.649	43%	0.427	S	S	*	.	H	α-helix	trans	-61	-25.1	-175.7	21.5	-32.5	0	0	0	112.6	E353	P349-E353 WeakPolarHBondContact O-CB 3.4Å; P349-E353 PolarHBondContact O-N 2.72Å
350	K	61.5	Low	71.4	Confident	171 Å²	171	84.9 Å²	84.9	74%	0.743	42%	0.419	S	S	*	.	H	α-helix	trans	-66	-40.6	173.1	-64.6	176.6	-177.6	170.8	0	112.8	D348 L354	D348-K350 PolarHBondContact O-N 3.37Å; K350-L354 VanDerWaalsContact O-CB 3.32Å; K350-L354 WeakPolarHBondContact O-CB 3.46Å; K350-L354 PolarHBondContact O-N 2.99Å
351	D	59.9	Low	70.6	Confident	99 Å²	99	88.1 Å²	88.1	53%	0.529	44%	0.438	S	S	.	.	H	α-helix	trans	-75.1	-34.4	179.7	-82.6	4.9	0	0	0	110.9	D348 L354 A355	D348-D351 HydrophobicContact CB-CB 4.42Å; D348-D351 PolarHBondContact O-N 3.49Å; D351-L354 PolarHBondContact O-N 3.49Å; D351-A355 WeakPolarHBondContact O-CB 3.47Å; D351-A355 PolarHBondContact O-N 3.24Å
352	A	56.9	Low	69.8	Low	11 Å²	11	83.4 Å²	83.4	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-61.9	-47.4	171	0	0	0	0	0	112.3	T231 D348 A355 K356	T231-A352 HydrophobicContact CG2-CB 3.92Å; D348-A352 PolarHBondContact O-N 2.93Å; D348-A352 VanDerWaalsContact O-N 3.13Å; A352-A355 PolarHBondContact O-N 3.41Å; A352-K356 WeakPolarHBondContact O-CB 3.18Å; A352-K356 PolarHBondContact O-N 2.82Å
353	E	65.7	Low	68.9	Low	95 Å²	95	87.8 Å²	87.8	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-41.5	174.8	-169.3	97.6	-99.9	0	0	111.7	P349 A355 K356 L357	P349-E353 WeakPolarHBondContact O-CB 3.4Å; P349-E353 PolarHBondContact O-N 2.72Å; E353-A355 VanDerWaalsContact C-N 3.32Å; E353-A355 PolarHBondContact O-N 3.39Å; E353-K356 WeakPolarHBondContact O-CB 3.35Å; E353-K356 PolarHBondContact O-N 2.92Å; E353-K356 IonicContact OE1-NZ 3.67Å; E353-K356 PolarHBondContact OE1-NZ 2.89Å; E353-L357 HydrophobicContact CG-CD1 4.3Å; E353-L357 WeakPolarHBondContact O-CG 3.24Å; E353-L357 PolarHBondContact O-N 3.44Å
354	L	64.6	Low	68.3	Low	80 Å²	80	87.3 Å²	87.3	42%	0.419	44%	0.444	S	S	.	.	H	α-helix	trans	-64.5	-35.9	178.1	-165.9	73	0	0	0	112.3	K350 D351 R358	K350-L354 VanDerWaalsContact O-CB 3.32Å; K350-L354 WeakPolarHBondContact O-CB 3.46Å; K350-L354 PolarHBondContact O-N 2.99Å; D351-L354 PolarHBondContact O-N 3.49Å; L354-R358 WeakPolarHBondContact O-CG 3.14Å; L354-R358 PolarHBondContact O-N 3.47Å
355	A	60.1	Low	67.7	Low	30 Å²	30	90.3 Å²	90.3	25%	0.248	46%	0.457	C	S	.	.	H	α-helix	trans	-67.1	-48	173.4	0	0	0	0	0	111.8	L215 D351 A352 E353 L357 R358 V359	L215-A355 HydrophobicContact CD2-CB 3.93Å; D351-A355 WeakPolarHBondContact O-CB 3.47Å; D351-A355 PolarHBondContact O-N 3.24Å; A352-A355 PolarHBondContact O-N 3.41Å; E353-A355 VanDerWaalsContact C-N 3.32Å; E353-A355 PolarHBondContact O-N 3.39Å; A355-L357 PolarHBondContact O-N 3.31Å; A355-R358 PolarHBondContact O-N 3.49Å; A355-R358 VanDerWaalsContact O-N 3.16Å; A355-V359 PolarHBondContact O-N 2.64Å; A355-V359 VanDerWaalsContact O-N 3.14Å
356	K	62.7	Low	66.9	Low	126 Å²	126	91.4 Å²	91.4	55%	0.548	47%	0.47	S	S	.	.	H	α-helix	trans	-53.9	-47.7	175.4	170.9	-174.1	168	-160.3	0	112	A352 E353 R358 V359 L360	A352-K356 WeakPolarHBondContact O-CB 3.18Å; A352-K356 PolarHBondContact O-N 2.82Å; E353-K356 WeakPolarHBondContact O-CB 3.35Å; E353-K356 PolarHBondContact O-N 2.92Å; E353-K356 IonicContact OE1-NZ 3.67Å; E353-K356 PolarHBondContact OE1-NZ 2.89Å; K356-R358 VanDerWaalsContact C-N 3.35Å; K356-R358 PolarHBondContact O-N 3.08Å; K356-V359 PolarHBondContact O-N 3.01Å; K356-L360 WeakPolarHBondContact O-CB 3.38Å; K356-L360 PolarHBondContact O-N 3.07Å
357	L	71.8	Confident	66.3	Low	92 Å²	92	92.5 Å²	92.5	48%	0.482	47%	0.474	S	S	.	.	H	α-helix	trans	-61.9	-38.8	178	-72.9	169.8	0	0	0	112.7	E353 A355 V361	E353-L357 HydrophobicContact CG-CD1 4.3Å; E353-L357 WeakPolarHBondContact O-CG 3.24Å; E353-L357 PolarHBondContact O-N 3.44Å; A355-L357 PolarHBondContact O-N 3.31Å; L357-V361 WeakPolarHBondContact O-CB 3.49Å; L357-V361 VanDerWaalsContact O-CG2 3.28Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.08Å
358	R	72.1	Confident	66.5	Low	166 Å²	166	97.7 Å²	97.7	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-66.8	-43.6	178.5	-74.1	172.2	178.8	174	1.2	112.7	L354 A355 K356 V361 A362	L354-R358 WeakPolarHBondContact O-CG 3.14Å; L354-R358 PolarHBondContact O-N 3.47Å; A355-R358 PolarHBondContact O-N 3.49Å; A355-R358 VanDerWaalsContact O-N 3.16Å; K356-R358 VanDerWaalsContact C-N 3.35Å; K356-R358 PolarHBondContact O-N 3.08Å; R358-V361 PolarHBondContact O-N 2.74Å; R358-A362 PolarHBondContact O-N 2.77Å; R358-A362 VanDerWaalsContact O-N 3.1Å
359	V	71.2	Confident	66.2	Low	59 Å²	59	97 Å²	97	36%	0.358	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-43.3	176.9	177.3	0	0	0	0	110.8	A355 K356 V361 A362 Q363	A355-V359 PolarHBondContact O-N 2.64Å; A355-V359 VanDerWaalsContact O-N 3.14Å; K356-V359 PolarHBondContact O-N 3.01Å; V359-V361 PolarHBondContact O-N 2.87Å; V359-A362 PolarHBondContact O-N 3.48Å; V359-Q363 PolarHBondContact O-N 3.44Å
360	L	72.5	Confident	65.7	Low	92 Å²	92	98.4 Å²	98.4	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-44.2	177.2	-164.6	83.4	0	0	0	111.9	K356 A362 Q363 L364	K356-L360 WeakPolarHBondContact O-CB 3.38Å; K356-L360 PolarHBondContact O-N 3.07Å; L360-A362 PolarHBondContact O-N 3.14Å; L360-Q363 PolarHBondContact O-N 3.22Å; L360-L364 HydrophobicContact CD2-CD1 4.16Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 VanDerWaalsContact O-CG 3.25Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 2.68Å
361	V	73.9	Confident	64.6	Low	71 Å²	71	93.2 Å²	93.2	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176.8	166.3	0	0	0	0	111.5	L357 R358 V359 L364 Q365	L357-V361 WeakPolarHBondContact O-CB 3.49Å; L357-V361 VanDerWaalsContact O-CG2 3.28Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.08Å; R358-V361 PolarHBondContact O-N 2.74Å; V359-V361 PolarHBondContact O-N 2.87Å; V361-L364 PolarHBondContact O-N 3.4Å; V361-Q365 HydrophobicContact CG1-CG 4.42Å; V361-Q365 WeakPolarHBondContact O-CB 3.48Å; V361-Q365 VanDerWaalsContact O-CG 3.26Å; V361-Q365 WeakPolarHBondContact O-CG 3.35Å; V361-Q365 PolarHBondContact O-N 2.89Å
362	A	69.1	Low	63.7	Low	54 Å²	54	93.5 Å²	93.5	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-45.5	177.8	0	0	0	0	0	112.4	R358 V359 L360 L364 Q365 A366	R358-A362 PolarHBondContact O-N 2.77Å; R358-A362 VanDerWaalsContact O-N 3.1Å; V359-A362 PolarHBondContact O-N 3.48Å; L360-A362 PolarHBondContact O-N 3.14Å; A362-L364 PolarHBondContact O-N 3.41Å; A362-Q365 PolarHBondContact O-N 3.13Å; A362-A366 PolarHBondContact O-N 2.91Å
363	Q	67.6	Low	62.5	Low	116 Å²	116	97.7 Å²	97.7	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-38.6	176.7	-72.7	-174.9	-13.4	0	0	112.8	V359 L360 R367	V359-Q363 PolarHBondContact O-N 3.44Å; L360-Q363 PolarHBondContact O-N 3.22Å; Q363-R367 WeakPolarHBondContact O-CG 3.24Å; Q363-R367 PolarHBondContact O-N 2.88Å
364	L	71.8	Confident	60.7	Low	88 Å²	88	98.4 Å²	98.4	46%	0.461	55%	0.548	S	S	.	.	H	α-helix	trans	-67.5	-39.2	175.8	-72.5	170	0	0	0	111.7	L360 V361 A362 R367 L368	L360-L364 HydrophobicContact CD2-CD1 4.16Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 VanDerWaalsContact O-CG 3.25Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 2.68Å; V361-L364 PolarHBondContact O-N 3.4Å; A362-L364 PolarHBondContact O-N 3.41Å; L364-R367 PolarHBondContact O-N 3.44Å; L364-L368 VanDerWaalsContact O-CG 3.32Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 3.37Å
365	Q	71.2	Confident	59.1	Low	121 Å²	121	104.1 Å²	104.1	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-62.2	-46.2	174.3	-75.7	170.7	-15.3	0	0	111.7	V361 A362 R367 L368 T369	V361-Q365 HydrophobicContact CG1-CG 4.42Å; V361-Q365 WeakPolarHBondContact O-CB 3.48Å; V361-Q365 VanDerWaalsContact O-CG 3.26Å; V361-Q365 WeakPolarHBondContact O-CG 3.35Å; V361-Q365 PolarHBondContact O-N 2.89Å; A362-Q365 PolarHBondContact O-N 3.13Å; Q365-R367 VanDerWaalsContact C-N 3.31Å; Q365-R367 PolarHBondContact O-N 3.03Å; Q365-L368 PolarHBondContact O-N 2.88Å; Q365-L368 VanDerWaalsContact O-N 3.15Å; Q365-T369 PolarHBondContact O-N 2.8Å; Q365-T369 PolarHBondContact O-OG1 2.89Å
366	A	64.1	Low	57.7	Low	51 Å²	51	107.5 Å²	107.5	42%	0.421	59%	0.589	S	S	.	*	H	α-helix	trans	-62.9	-34	176.2	0	0	0	0	0	113.3	A362 T369 N370	A362-A366 PolarHBondContact O-N 2.91Å; A366-T369 WeakPolarHBondContact CA-OG1 3.41Å; A366-T369 PolarHBondContact O-OG1 3.49Å; A366-N370 WeakPolarHBondContact O-CB 3.48Å; A366-N370 PolarHBondContact O-N 2.87Å; A366-N370 PolarHBondContact O-OD1 2.81Å
367	R	65.9	Low	56.1	Low	191 Å²	191	109.3 Å²	109.3	72%	0.721	60%	0.604	S	S	*	*	H	α-helix	trans	-69.5	-37	172.8	-77.2	179.6	170.9	175.2	-1.7	112.6	Q363 L364 Q365 G371	Q363-R367 WeakPolarHBondContact O-CG 3.24Å; Q363-R367 PolarHBondContact O-N 2.88Å; L364-R367 PolarHBondContact O-N 3.44Å; Q365-R367 VanDerWaalsContact C-N 3.31Å; Q365-R367 PolarHBondContact O-N 3.03Å; R367-G371 PolarHBondContact O-N 3.43Å
368	L	68.9	Low	54	Low	126 Å²	126	112.4 Å²	112.4	66%	0.66	62%	0.62	S	S	*	*	H	α-helix	trans	-69.8	-37.6	177.5	-72.3	168.3	0	0	0	112.7	L364 Q365 S372	L364-L368 VanDerWaalsContact O-CG 3.32Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 3.37Å; Q365-L368 PolarHBondContact O-N 2.88Å; Q365-L368 VanDerWaalsContact O-N 3.15Å; L368-S372 PolarHBondContact O-OG 2.91Å
369	T	61.2	Low	51.9	Low	98 Å²	98	109.8 Å²	109.8	60%	0.601	63%	0.627	S	S	*	*	H	α-helix	trans	-65	-44.4	174	50.4	0	0	0	0	111.5	Q365 A366	Q365-T369 PolarHBondContact O-N 2.8Å; Q365-T369 PolarHBondContact O-OG1 2.89Å; A366-T369 WeakPolarHBondContact CA-OG1 3.41Å; A366-T369 PolarHBondContact O-OG1 3.49Å
370	N	47.7	Very low	50	Low	130 Å²	130	112.5 Å²	112.5	70%	0.695	65%	0.646	S	S	*	*	H	α-helix	trans	-79.9	-23.8	-172.2	-63.2	14.5	0	0	0	112.9	A366 S372	A366-N370 WeakPolarHBondContact O-CB 3.48Å; A366-N370 PolarHBondContact O-N 2.87Å; A366-N370 PolarHBondContact O-OD1 2.81Å; N370-S372 VanDerWaalsContact C-N 3.29Å; N370-S372 PolarHBondContact O-N 3.41Å
371	G	37.8	Very low	47.7	Very low	61 Å²	61	114.4 Å²	114.4	63%	0.629	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	6.9	178.2	0	0	0	0	0	115.8	R367	R367-G371 PolarHBondContact O-N 3.43Å
372	S	40	Very low	45.4	Very low	105 Å²	105	116.3 Å²	116.3	73%	0.734	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	9.5	-169.6	-66.9	0	0	0	0	115.3	L368 N370	L368-S372 PolarHBondContact O-OG 2.91Å; N370-S372 VanDerWaalsContact C-N 3.29Å; N370-S372 PolarHBondContact O-N 3.41Å
373	S	33.4	Very low	43.4	Very low	99 Å²	99	123.1 Å²	123.1	69%	0.692	70%	0.699	S	S	*	*	S	Bend	trans	-120.5	139.1	174.8	54.7	0	0	0	0	112.2
374	C	27.5	Very low	41.4	Very low	110 Å²	110	123.2 Å²	123.2	74%	0.743	71%	0.707	S	S	*	*			trans	70.6	89.4	177.8	-154.5	0	0	0	0	117.6
375	F	30.6	Very low	39.1	Very low	201 Å²	201	126 Å²	126	88%	0.882	72%	0.721	S	S	*	*			trans	-133.8	96	148.5	-98.5	-75.4	0	0	0	109.5
376	P	30.1	Very low	36.9	Very low	100 Å²	100	128.4 Å²	128.4	65%	0.649	74%	0.736	S	S	*	*			trans	-89.2	113.1	176	32.4	-28.7	0	0	0	110.3
377	L	30.5	Very low	35	Very low	165 Å²	165	134.7 Å²	134.7	86%	0.864	75%	0.754	S	S	*	*			trans	-115	128.6	166.3	-90.6	171.9	0	0	0	111.2
378	L	26.7	Very low	33.6	Very low	157 Å²	157	131.4 Å²	131.4	82%	0.822	76%	0.758	S	S	*	*			trans	-71	142.3	-169.8	-68.1	61.1	0	0	0	111.5
379	S	28	Very low	31.4	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	77%	0.771	S	S	*	*				163.8	138.3	101.7	-164.9	0	0	0	0	111.3
380	P	32.6	Very low	29.7	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	78%	0.778	S	S	*	*			trans	-88.6	144.4	-171.3	34.1	-34.9	0	0	0	114.3
381	C	24.1	Very low	28.5	Very low	132 Å²	132	133 Å²	133	89%	0.892	79%	0.785	S	S	*	*			trans	-115.8	113.3	164.1	-87.2	0	0	0	0	110.9
382	P	25.5	Very low	27.9	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	79%	0.793	S	S	*	*			trans	-90.1	139.3	-178.8	33.7	-33.4	0	0	0	112.7
383	K	26.5	Very low	27.2	Very low	197 Å²	197	136.8 Å²	136.8	86%	0.857	79%	0.791	S	S	*	*			trans	-167.6	106.4	145.6	-104.2	145.4	-167.9	175.7	0	113.5
384	T	25.3	Very low	27.1	Very low	117 Å²	117	140 Å²	140	72%	0.718	80%	0.799	S	S	*	*			trans	32.4	105.5	139	50.9	0	0	0	0	119.9
385	I	23.7	Very low	27.1	Very low	147 Å²	147	140.7 Å²	140.7	75%	0.754	80%	0.795	S	S	*	*				38.5	108	118.4	-52	166.2	0	0	0	116.5
386	I	25.7	Very low	26.8	Very low	171 Å²	171	137.2 Å²	137.2	88%	0.877	79%	0.786	S	S	*	*			trans	-121.2	123.1	139.5	-62	-179.8	0	0	0	106.5
387	K	23.9	Very low	26.8	Very low	183 Å²	183	139.8 Å²	139.8	80%	0.796	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-97.8	158.2	176	-102	-172.8	175.1	-177.4	0	110.5
388	P	35.7	Very low	27	Very low	123 Å²	123	136.8 Å²	136.8	80%	0.799	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.2	152.7	-161.7	31.6	-36.9	0	0	0	113.5
389	L	23.4	Very low	27.6	Very low	178 Å²	178	135.9 Å²	135.9	93%	0.932	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-90.5	129.7	163.7	-88.7	162	0	0	0	110
390	S	24.2	Very low	28.2	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79	166.5	179.9	51	0	0	0	0	112.8
391	A	23.8	Very low	29.2	Very low	101 Å²	101	137.3 Å²	137.3	84%	0.835	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-53.1	142.8	178.8	0	0	0	0	0	114.6
392	T	25.2	Very low	30.1	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	79%	0.785	S	S	*	*			trans	-133.6	132.4	158.7	-60.1	0	0	0	0	109.9
393	T	24.7	Very low	30.9	Very low	113 Å²	113	142.3 Å²	142.3	69%	0.693	79%	0.787	S	S	*	*			trans	-48.6	141.9	176	-50	0	0	0	0	114.5
394	I	30.5	Very low	32.2	Very low	167 Å²	167	136.8 Å²	136.8	86%	0.856	77%	0.773	S	S	*	*			trans	-120.6	133.4	158.3	-64.7	-178.2	0	0	0	108.5
395	N	27.4	Very low	33.5	Very low	124 Å²	124	134.5 Å²	134.5	66%	0.663	76%	0.761	S	S	*	*			trans	-87.1	152.8	-167.5	-78.1	-28.3	0	0	0	114.7
396	N	26.1	Very low	35.5	Very low	128 Å²	128	133.3 Å²	133.3	68%	0.684	75%	0.753	S	S	*	*			trans	26	123	135.9	-48.1	-12.3	0	0	0	119
397	N	29.2	Very low	37.7	Very low	154 Å²	154	128.6 Å²	128.6	82%	0.824	73%	0.732	S	S	*	*				174.6	173.7	103.2	-90.3	-34.6	0	0	0	113.5
398	S	35.4	Very low	39.8	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	71%	0.714	S	S	*	*			trans	81.1	74.9	162.7	-52.5	0	0	0	0	118.7	N400	S398-N400 PolarHBondContact O-N 2.91Å
399	T	39.4	Very low	41.4	Very low	138 Å²	138	120.5 Å²	120.5	85%	0.847	70%	0.695	S	S	*	*	S	Bend	trans	42.8	68.7	131.4	59.3	0	0	0	0	118.7
400	N	40.4	Very low	43.8	Very low	161 Å²	161	116 Å²	116	86%	0.861	67%	0.672	S	S	*	*			trans	-152.1	32.9	146.1	-123.6	-13.7	0	0	0	111.8	S398	S398-N400 PolarHBondContact O-N 2.91Å
401	S	52.9	Low	46	Very low	94 Å²	94	114.9 Å²	114.9	66%	0.657	66%	0.657	S	S	*	*			trans	-95	-5.7	-156.7	-163	0	0	0	0	116.4
402	Q	43.4	Very low	48.4	Very low	174 Å²	174	116 Å²	116	81%	0.813	65%	0.647	S	S	*	*	H	α-helix	trans	-80.1	-58.7	-174.1	-76.1	171.4	-45.4	0	0	112	S404 S405 E406	Q402-S404 PolarHBondContact O-N 3.3Å; Q402-S404 VanDerWaalsContact O-N 3.1Å; Q402-S405 PolarHBondContact O-N 2.84Å; Q402-E406 PolarHBondContact O-N 2.94Å
403	F	42.7	Very low	50.9	Low	176 Å²	176	114.6 Å²	114.6	77%	0.772	63%	0.634	S	S	*	*	H	α-helix	trans	-58.1	-31.7	-175.1	-149.9	-89.6	0	0	0	113.9	V407	F403-V407 HydrophobicContact CD1-CG2 4.43Å; F403-V407 HydrophobicContact CE1-CG2 4.44Å; F403-V407 WeakPolarHBondContact O-CG2 3.26Å
404	S	53.2	Low	53.4	Low	80 Å²	80	116 Å²	116	56%	0.559	63%	0.631	S	S	*	*	H	α-helix	trans	-76.8	-30.2	177.6	-171.2	0	0	0	0	113.6	Q402 V408	Q402-S404 PolarHBondContact O-N 3.3Å; Q402-S404 VanDerWaalsContact O-N 3.1Å; S404-V408 VanDerWaalsContact O-CG2 3.29Å; S404-V408 WeakPolarHBondContact O-CG2 3.35Å; S404-V408 PolarHBondContact O-N 2.88Å
405	S	52.6	Low	55.3	Low	69 Å²	69	112.6 Å²	112.6	48%	0.483	61%	0.614	S	S	.	*	H	α-helix	trans	-73.7	-43.8	-178.1	-167.8	0	0	0	0	110.7	Q402 V408 T409	Q402-S405 PolarHBondContact O-N 2.84Å; S405-V408 PolarHBondContact O-N 3.12Å; S405-V408 VanDerWaalsContact O-N 3.15Å; S405-T409 PolarHBondContact O-N 2.93Å; S405-T409 PolarHBondContact O-OG1 3.33Å
406	E	65.2	Low	57.9	Low	123 Å²	123	113.8 Å²	113.8	58%	0.575	61%	0.614	S	S	*	*	H	α-helix	trans	-70.3	-34.1	-176	-166	179.2	158.2	0	0	112.8	Q402 V408 T409 N410	Q402-E406 PolarHBondContact O-N 2.94Å; E406-V408 VanDerWaalsContact C-N 3.32Å; E406-T409 WeakPolarHBondContact CA-OG1 3.22Å; E406-T409 PolarHBondContact O-OG1 2.92Å; E406-T409 VanDerWaalsContact O-OG1 3.13Å; E406-N410 VanDerWaalsContact O-CB 3.26Å; E406-N410 WeakPolarHBondContact O-CB 3.37Å; E406-N410 PolarHBondContact O-N 3.45Å; E406-N410 PolarHBondContact O-ND2 3.35Å
407	V	71.6	Confident	60.5	Low	72 Å²	72	114.8 Å²	114.8	44%	0.436	61%	0.612	S	S	.	*	H	α-helix	trans	-65.3	-37.5	170.6	172.2	0	0	0	0	111	F403 L411	F403-V407 HydrophobicContact CD1-CG2 4.43Å; F403-V407 HydrophobicContact CE1-CG2 4.44Å; F403-V407 WeakPolarHBondContact O-CG2 3.26Å; V407-L411 HydrophobicContact CG1-CD1 3.98Å; V407-L411 WeakPolarHBondContact O-CB 3.19Å; V407-L411 VanDerWaalsContact O-CG 3.25Å; V407-L411 WeakPolarHBondContact O-CG 3.47Å; V407-L411 PolarHBondContact O-N 3.04Å
408	V	69.4	Low	62.8	Low	69 Å²	69	112.3 Å²	112.3	42%	0.418	60%	0.598	S	S	.	*	H	α-helix	trans	-72	-42.4	178.6	170.3	0	0	0	0	111.9	S404 S405 E406 L411 M412	S404-V408 VanDerWaalsContact O-CG2 3.29Å; S404-V408 WeakPolarHBondContact O-CG2 3.35Å; S404-V408 PolarHBondContact O-N 2.88Å; S405-V408 PolarHBondContact O-N 3.12Å; S405-V408 VanDerWaalsContact O-N 3.15Å; E406-V408 VanDerWaalsContact C-N 3.32Å; V408-L411 PolarHBondContact O-N 2.82Å; V408-M412 HydrophobicContact CG1-CE 4.3Å; V408-M412 WeakPolarHBondContact O-CG 3.44Å; V408-M412 PolarHBondContact O-N 3.02Å
409	T	67.9	Low	64.7	Low	66 Å²	66	113.4 Å²	113.4	41%	0.405	59%	0.592	S	S	.	*	H	α-helix	trans	-66	-41.5	175.5	53.4	0	0	0	0	111.6	S405 E406 L411 M412 N413	S405-T409 PolarHBondContact O-N 2.93Å; S405-T409 PolarHBondContact O-OG1 3.33Å; E406-T409 WeakPolarHBondContact CA-OG1 3.22Å; E406-T409 PolarHBondContact O-OG1 2.92Å; E406-T409 VanDerWaalsContact O-OG1 3.13Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-L411 PolarHBondContact O-N 3.2Å; T409-M412 PolarHBondContact O-N 2.9Å; T409-N413 WeakPolarHBondContact O-CB 3.23Å; T409-N413 PolarHBondContact O-N 2.82Å
410	N	74.2	Confident	66.7	Low	83 Å²	83	110.2 Å²	110.2	44%	0.444	58%	0.575	S	S	.	*	H	α-helix	trans	-63.5	-36.8	174	-82.6	-62.7	0	0	0	112.8	E406 K414	E406-N410 VanDerWaalsContact O-CB 3.26Å; E406-N410 WeakPolarHBondContact O-CB 3.37Å; E406-N410 PolarHBondContact O-N 3.45Å; E406-N410 PolarHBondContact O-ND2 3.35Å; N410-K414 WeakPolarHBondContact O-CB 3.47Å; N410-K414 WeakPolarHBondContact O-CG 3.35Å; N410-K414 PolarHBondContact O-N 3.34Å
411	L	71.6	Confident	68.7	Low	87 Å²	87	107.4 Å²	107.4	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-67.8	-39.6	172.2	-78.4	168.5	0	0	0	112.4	V407 V408 T409 K414 N415	V407-L411 HydrophobicContact CG1-CD1 3.98Å; V407-L411 WeakPolarHBondContact O-CB 3.19Å; V407-L411 VanDerWaalsContact O-CG 3.25Å; V407-L411 WeakPolarHBondContact O-CG 3.47Å; V407-L411 PolarHBondContact O-N 3.04Å; V408-L411 PolarHBondContact O-N 2.82Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-L411 PolarHBondContact O-N 3.2Å; L411-K414 PolarHBondContact O-N 3.04Å; L411-N415 WeakPolarHBondContact O-CB 3.23Å; L411-N415 PolarHBondContact O-N 2.57Å
412	M	74	Confident	69.9	Low	124 Å²	124	109.7 Å²	109.7	61%	0.611	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-41.5	174.1	-75.6	-174.6	171	0	0	112.1	V408 T409 N415 K416	V408-M412 HydrophobicContact CG1-CE 4.3Å; V408-M412 WeakPolarHBondContact O-CG 3.44Å; V408-M412 PolarHBondContact O-N 3.02Å; T409-M412 PolarHBondContact O-N 2.9Å; M412-N415 PolarHBondContact O-N 3.04Å; M412-K416 PolarHBondContact O-N 3.43Å
413	N	77.7	Confident	71.8	Confident	101 Å²	101	107.5 Å²	107.5	54%	0.54	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-39.1	176.3	-74.6	-14.8	0	0	0	112	T409 K416 K417	T409-N413 WeakPolarHBondContact O-CB 3.23Å; T409-N413 PolarHBondContact O-N 2.82Å; N413-K416 PolarHBondContact O-N 3.26Å; N413-K417 WeakPolarHBondContact O-CB 3.38Å; N413-K417 PolarHBondContact O-N 2.9Å
414	K	77.4	Confident	73.8	Confident	142 Å²	142	105 Å²	105	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-42.7	170.5	-79.9	-175.5	176.2	-177.6	0	112.3	N410 L411 K417 L418	N410-K414 WeakPolarHBondContact O-CB 3.47Å; N410-K414 WeakPolarHBondContact O-CG 3.35Å; N410-K414 PolarHBondContact O-N 3.34Å; L411-K414 PolarHBondContact O-N 3.04Å; K414-K417 PolarHBondContact O-N 2.88Å; K414-L418 WeakPolarHBondContact O-CB 3.31Å; K414-L418 WeakPolarHBondContact O-CG 3.17Å; K414-L418 PolarHBondContact O-N 3.18Å
415	N	69.6	Low	75	Confident	97 Å²	97	106.1 Å²	106.1	52%	0.519	54%	0.542	S	S	.	.	H	α-helix	trans	-61.2	-48.8	174.9	-94.1	9.9	0	0	0	111.7	L411 M412 K417 L418 E419	L411-N415 WeakPolarHBondContact O-CB 3.23Å; L411-N415 PolarHBondContact O-N 2.57Å; M412-N415 PolarHBondContact O-N 3.04Å; N415-K417 PolarHBondContact O-N 3.37Å; N415-L418 CarbonylContact O-C 3.3Å; N415-L418 PolarHBondContact O-N 2.96Å; N415-L418 VanDerWaalsContact O-N 3.15Å; N415-E419 WeakPolarHBondContact O-CB 3.31Å; N415-E419 WeakPolarHBondContact O-CG 3.38Å; N415-E419 PolarHBondContact O-N 3.34Å
416	K	81.5	Confident	76.1	Confident	149 Å²	149	105.5 Å²	105.5	65%	0.648	54%	0.536	S	S	*	.	H	α-helix	trans	-55.4	-39.6	175	-95.8	-175.4	173.1	179.1	0	112.7	M412 N413 S420	M412-K416 PolarHBondContact O-N 3.43Å; N413-K416 PolarHBondContact O-N 3.26Å; K416-S420 PolarHBondContact O-N 3.04Å; K416-S420 PolarHBondContact O-OG 2.89Å
417	K	81.5	Confident	76.9	Confident	148 Å²	148	102.3 Å²	102.3	64%	0.643	53%	0.531	S	S	*	.	H	α-helix	trans	-69.6	-42.6	177.4	-167.5	175.6	-178.8	-179	0	112	N413 K414 N415 E419 S420 E421	N413-K417 WeakPolarHBondContact O-CB 3.38Å; N413-K417 PolarHBondContact O-N 2.9Å; K414-K417 PolarHBondContact O-N 2.88Å; N415-K417 PolarHBondContact O-N 3.37Å; K417-E419 VanDerWaalsContact C-N 3.33Å; K417-S420 PolarHBondContact O-N 3.45Å; K417-S420 PolarHBondContact O-OG 3.24Å; K417-E421 WeakPolarHBondContact O-CB 3.49Å; K417-E421 PolarHBondContact O-N 3.08Å
418	L	77	Confident	77.3	Confident	103 Å²	103	104.7 Å²	104.7	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-32.7	174.8	-74.7	166.4	0	0	0	112.4	K414 N415 K422	K414-L418 WeakPolarHBondContact O-CB 3.31Å; K414-L418 WeakPolarHBondContact O-CG 3.17Å; K414-L418 PolarHBondContact O-N 3.18Å; N415-L418 CarbonylContact O-C 3.3Å; N415-L418 PolarHBondContact O-N 2.96Å; N415-L418 VanDerWaalsContact O-N 3.15Å; L418-K422 WeakPolarHBondContact O-CB 3.35Å; L418-K422 PolarHBondContact O-N 2.66Å
419	E	75.5	Confident	77.7	Confident	125 Å²	125	106.4 Å²	106.4	58%	0.584	54%	0.544	S	S	*	.	H	α-helix	trans	-67.9	-40.6	173.2	-75.6	174.3	165.8	0	0	111.6	N415 K417 L423	N415-E419 WeakPolarHBondContact O-CB 3.31Å; N415-E419 WeakPolarHBondContact O-CG 3.38Å; N415-E419 PolarHBondContact O-N 3.34Å; K417-E419 VanDerWaalsContact C-N 3.33Å; E419-L423 VanDerWaalsContact O-CB 3.31Å; E419-L423 WeakPolarHBondContact O-CB 3.47Å; E419-L423 PolarHBondContact O-N 3.48Å
420	S	81.9	Confident	78.2	Confident	71 Å²	71	108.1 Å²	108.1	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-71.5	-35	175	69.6	0	0	0	0	112.9	K416 K417 L423 L424	K416-S420 PolarHBondContact O-N 3.04Å; K416-S420 PolarHBondContact O-OG 2.89Å; K417-S420 PolarHBondContact O-N 3.45Å; K417-S420 PolarHBondContact O-OG 3.24Å; S420-L423 PolarHBondContact O-N 3.34Å; S420-L424 WeakPolarHBondContact O-CB 3.22Å; S420-L424 PolarHBondContact O-N 3.39Å
421	E	82.9	Confident	78.5	Confident	102 Å²	102	109.2 Å²	109.2	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-67.8	-44.2	173.3	-175.2	167.4	-163.5	0	0	111.8	K417 L423 L424 L425	K417-E421 WeakPolarHBondContact O-CB 3.49Å; K417-E421 PolarHBondContact O-N 3.08Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 2.82Å; E421-L424 WeakPolarHBondContact O-CB 3.3Å; E421-L424 PolarHBondContact O-N 3.14Å; E421-L425 HydrophobicContact CG-CD1 4.23Å; E421-L425 WeakPolarHBondContact O-CB 3.21Å; E421-L425 WeakPolarHBondContact O-CG 3.36Å; E421-L425 PolarHBondContact O-N 3.16Å
422	K	78	Confident	78.3	Confident	142 Å²	142	108.5 Å²	108.5	62%	0.617	55%	0.552	S	S	*	*	H	α-helix	trans	-59.1	-43.1	171.3	179.9	-175.8	174.3	-172.6	0	111.7	L418 L424 L425 C426	L418-K422 WeakPolarHBondContact O-CB 3.35Å; L418-K422 PolarHBondContact O-N 2.66Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.19Å; K422-L425 PolarHBondContact O-N 2.65Å; K422-C426 WeakPolarHBondContact O-CB 3.27Å; K422-C426 PolarHBondContact O-N 2.98Å; K422-C426 PolarHBondContact O-SG 3.4Å; K422-C426 VanDerWaalsContact O-SG 3.4Å
423	L	83.2	Confident	78.4	Confident	129 Å²	129	105.4 Å²	105.4	68%	0.675	54%	0.54	S	S	*	.	H	α-helix	trans	-64.6	-38.1	178	-174	64.6	0	0	0	111.7	E419 S420 E421 A427	E419-L423 VanDerWaalsContact O-CB 3.31Å; E419-L423 WeakPolarHBondContact O-CB 3.47Å; E419-L423 PolarHBondContact O-N 3.48Å; S420-L423 PolarHBondContact O-N 3.34Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 2.82Å; L423-A427 PolarHBondContact O-N 3.09Å
424	L	84	Confident	78.4	Confident	124 Å²	124	107 Å²	107	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-66.1	-44.4	174.3	-170.9	69.3	0	0	0	111.8	S420 E421 K422 A427 E428	S420-L424 WeakPolarHBondContact O-CB 3.22Å; S420-L424 PolarHBondContact O-N 3.39Å; E421-L424 WeakPolarHBondContact O-CB 3.3Å; E421-L424 PolarHBondContact O-N 3.14Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.19Å; L424-A427 PolarHBondContact O-N 2.97Å; L424-E428 PolarHBondContact O-N 3.19Å
425	L	78.8	Confident	78.2	Confident	103 Å²	103	106 Å²	106	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-36.5	177	-73.3	167.9	0	0	0	112.6	E421 K422 E428 L429	E421-L425 HydrophobicContact CG-CD1 4.23Å; E421-L425 WeakPolarHBondContact O-CB 3.21Å; E421-L425 WeakPolarHBondContact O-CG 3.36Å; E421-L425 PolarHBondContact O-N 3.16Å; K422-L425 PolarHBondContact O-N 2.65Å; L425-E428 PolarHBondContact O-N 3.48Å; L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 PolarHBondContact O-N 3.3Å
426	C	75.2	Confident	77.8	Confident	55 Å²	55	105.8 Å²	105.8	37%	0.372	54%	0.537	S	S	.	.	H	α-helix	trans	-60.4	-49.8	169.2	-78.2	0	0	0	0	111.1	K422 E428 L429 D430	K422-C426 WeakPolarHBondContact O-CB 3.27Å; K422-C426 PolarHBondContact O-N 2.98Å; K422-C426 PolarHBondContact O-SG 3.4Å; K422-C426 VanDerWaalsContact O-SG 3.4Å; C426-E428 VanDerWaalsContact C-N 3.3Å; C426-E428 PolarHBondContact O-N 2.95Å; C426-L429 WeakPolarHBondContact O-CB 3.42Å; C426-L429 PolarHBondContact O-N 3.04Å; C426-D430 WeakPolarHBondContact O-CB 3.4Å; C426-D430 VanDerWaalsContact O-CG 3.26Å; C426-D430 PolarHBondContact O-N 3.2Å
427	A	82.3	Confident	77.1	Confident	56 Å²	56	102.7 Å²	102.7	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-64.7	-31.4	179.5	0	0	0	0	0	113.4	L423 L424 H431	L423-A427 PolarHBondContact O-N 3.09Å; L424-A427 PolarHBondContact O-N 2.97Å; A427-H431 WeakPolarHBondContact O-CB 3.35Å; A427-H431 PolarHBondContact O-N 3.12Å; A427-H431 VanDerWaalsContact O-N 3.08Å
428	E	79.7	Confident	76.2	Confident	123 Å²	123	100.8 Å²	100.8	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-74.5	-39.5	173.4	-169.5	158.5	-129.7	0	0	111.8	L424 L425 C426 H431 T432	L424-E428 PolarHBondContact O-N 3.19Å; L425-E428 PolarHBondContact O-N 3.48Å; C426-E428 VanDerWaalsContact C-N 3.3Å; C426-E428 PolarHBondContact O-N 2.95Å; E428-H431 PolarHBondContact O-N 3.41Å; E428-T432 WeakPolarHBondContact O-CG2 3.21Å; E428-T432 PolarHBondContact O-N 3.43Å
429	L	77.9	Confident	75.2	Confident	105 Å²	105	100.4 Å²	100.4	55%	0.55	52%	0.519	S	S	.	.	H	α-helix	trans	-59.2	-51.5	171.3	178.1	63.1	0	0	0	111	L425 C426 H431 T432 V433	L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 PolarHBondContact O-N 3.3Å; C426-L429 WeakPolarHBondContact O-CB 3.42Å; C426-L429 PolarHBondContact O-N 3.04Å; L429-H431 VanDerWaalsContact C-N 3.28Å; L429-H431 PolarHBondContact O-N 2.99Å; L429-T432 CarbonylContact O-C 3.57Å; L429-T432 WeakPolarHBondContact O-CA 3.47Å; L429-T432 PolarHBondContact O-N 2.68Å; L429-T432 PolarHBondContact O-OG1 3.35Å; L429-V433 HydrophobicContact CD1-CG2 4.43Å; L429-V433 WeakPolarHBondContact O-CG2 3.44Å; L429-V433 PolarHBondContact O-N 2.6Å
430	D	78.1	Confident	74.2	Confident	101 Å²	101	101.9 Å²	101.9	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-56	-43.4	176.8	-68.4	-28.8	0	0	0	110.9	C426 T432 V433 E434	C426-D430 WeakPolarHBondContact O-CB 3.4Å; C426-D430 VanDerWaalsContact O-CG 3.26Å; C426-D430 PolarHBondContact O-N 3.2Å; D430-T432 PolarHBondContact O-N 2.98Å; D430-V433 PolarHBondContact O-N 3.5Å; D430-E434 PolarHBondContact O-N 2.95Å
431	H	80.7	Confident	72.6	Confident	107 Å²	107	107.9 Å²	107.9	50%	0.495	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-35.8	175.5	-173.4	46.9	0	0	0	113.1	A427 E428 L429 E434 K435	A427-H431 WeakPolarHBondContact O-CB 3.35Å; A427-H431 PolarHBondContact O-N 3.12Å; A427-H431 VanDerWaalsContact O-N 3.08Å; E428-H431 PolarHBondContact O-N 3.41Å; L429-H431 VanDerWaalsContact C-N 3.28Å; L429-H431 PolarHBondContact O-N 2.99Å; H431-E434 IonicContact ND1-OE2 3.75Å; H431-K435 VanDerWaalsContact O-CB 3.26Å; H431-K435 WeakPolarHBondContact O-CB 3.41Å; H431-K435 PolarHBondContact O-N 3.49Å
432	T	66.3	Low	71.1	Confident	72 Å²	72	107.8 Å²	107.8	44%	0.442	54%	0.535	S	S	.	.	H	α-helix	trans	-69.4	-33.6	172.5	62.7	0	0	0	0	112.7	E428 L429 D430 K435 M436	E428-T432 WeakPolarHBondContact O-CG2 3.21Å; E428-T432 PolarHBondContact O-N 3.43Å; L429-T432 CarbonylContact O-C 3.57Å; L429-T432 WeakPolarHBondContact O-CA 3.47Å; L429-T432 PolarHBondContact O-N 2.68Å; L429-T432 PolarHBondContact O-OG1 3.35Å; D430-T432 PolarHBondContact O-N 2.98Å; T432-K435 PolarHBondContact O-N 2.94Å; T432-M436 WeakPolarHBondContact O-CB 3.33Å; T432-M436 PolarHBondContact O-N 3.23Å
433	V	78	Confident	69.8	Low	59 Å²	59	107.4 Å²	107.4	36%	0.358	54%	0.539	S	S	.	.	H	α-helix	trans	-70.6	-44.6	175.1	173.1	0	0	0	0	111	L429 D430 K435 M436 N437	L429-V433 HydrophobicContact CD1-CG2 4.43Å; L429-V433 WeakPolarHBondContact O-CG2 3.44Å; L429-V433 PolarHBondContact O-N 2.6Å; D430-V433 PolarHBondContact O-N 3.5Å; V433-K435 VanDerWaalsContact C-N 3.3Å; V433-K435 PolarHBondContact O-N 3.33Å; V433-M436 PolarHBondContact O-N 3.39Å; V433-N437 WeakPolarHBondContact O-CB 3.45Å; V433-N437 PolarHBondContact O-N 3.43Å; V433-N437 PolarHBondContact O-ND2 3.23Å
434	E	76	Confident	68.2	Low	134 Å²	134	108.6 Å²	108.6	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-53.9	-48.2	170.1	-78.6	-166.3	133.5	0	0	111.1	D430 H431 M436 N437 E438	D430-E434 PolarHBondContact O-N 2.95Å; H431-E434 IonicContact ND1-OE2 3.75Å; E434-M436 VanDerWaalsContact C-N 3.34Å; E434-M436 PolarHBondContact O-N 3.45Å; E434-N437 CarbonylContact O-C 3.43Å; E434-N437 PolarHBondContact O-N 3.39Å; E434-E438 WeakPolarHBondContact O-CB 3.38Å; E434-E438 PolarHBondContact O-N 2.84Å
435	K	73.2	Confident	66.3	Low	120 Å²	120	106.8 Å²	106.8	52%	0.522	53%	0.53	S	S	.	.	H	α-helix	trans	-69.2	-31.3	-178.9	-167.3	177.8	-178.9	-172.9	0	112.9	H431 T432 V433 L439	H431-K435 VanDerWaalsContact O-CB 3.26Å; H431-K435 WeakPolarHBondContact O-CB 3.41Å; H431-K435 PolarHBondContact O-N 3.49Å; T432-K435 PolarHBondContact O-N 2.94Å; V433-K435 VanDerWaalsContact C-N 3.3Å; V433-K435 PolarHBondContact O-N 3.33Å; K435-L439 WeakPolarHBondContact O-CG 3.42Å; K435-L439 PolarHBondContact O-N 2.85Å
436	M	61.9	Low	65.1	Low	94 Å²	94	104.4 Å²	104.4	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-67.7	-41.5	171.2	-161.5	-167.1	-38.6	0	0	110.8	T432 V433 E434 L439 Y440	T432-M436 WeakPolarHBondContact O-CB 3.33Å; T432-M436 PolarHBondContact O-N 3.23Å; V433-M436 PolarHBondContact O-N 3.39Å; E434-M436 VanDerWaalsContact C-N 3.34Å; E434-M436 PolarHBondContact O-N 3.45Å; M436-L439 CarbonylContact O-C 3.27Å; M436-L439 PolarHBondContact O-N 3.11Å; M436-Y440 HydrophobicContact CG-CD2 4.07Å; M436-Y440 HydrophobicContact CG-CE2 3.84Å; M436-Y440 VanDerWaalsContact O-CD2 3.24Å; M436-Y440 WeakPolarHBondContact O-CD2 3.46Å; M436-Y440 PolarHBondContact O-N 3.28Å; M436-Y440 HydrophobicContact SD-CE2 3.93Å
437	N	67.7	Low	64.3	Low	84 Å²	84	107.2 Å²	107.2	45%	0.449	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-34.9	174.6	-70.6	-27.2	0	0	0	112.3	V433 E434 Y440 R441	V433-N437 WeakPolarHBondContact O-CB 3.45Å; V433-N437 PolarHBondContact O-N 3.43Å; V433-N437 PolarHBondContact O-ND2 3.23Å; E434-N437 CarbonylContact O-C 3.43Å; E434-N437 PolarHBondContact O-N 3.39Å; N437-Y440 PolarHBondContact O-N 3.49Å; N437-R441 WeakPolarHBondContact O-CG 3.43Å; N437-R441 PolarHBondContact O-N 3.09Å
438	E	61.7	Low	63.1	Low	108 Å²	108	109.1 Å²	109.1	51%	0.505	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-41.7	171.5	-163.9	170.1	-126	0	0	110.5	E434 R441 N442	E434-E438 WeakPolarHBondContact O-CB 3.38Å; E434-E438 PolarHBondContact O-N 2.84Å; E438-R441 PolarHBondContact O-N 3.15Å; E438-N442 WeakPolarHBondContact O-CB 3.41Å; E438-N442 PolarHBondContact O-N 2.87Å; E438-N442 PolarHBondContact O-ND2 2.99Å; E438-N442 PolarHBondContact O-OD1 2.6Å
439	L	55.8	Low	62.2	Low	95 Å²	95	108.4 Å²	108.4	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-36.5	171.3	-72.4	170.5	0	0	0	113.4	K435 M436 N442 N443	K435-L439 WeakPolarHBondContact O-CG 3.42Å; K435-L439 PolarHBondContact O-N 2.85Å; M436-L439 CarbonylContact O-C 3.27Å; M436-L439 PolarHBondContact O-N 3.11Å; L439-N442 PolarHBondContact O-N 3.49Å; L439-N443 VanDerWaalsContact O-CB 3.25Å; L439-N443 WeakPolarHBondContact O-CB 3.39Å; L439-N443 VanDerWaalsContact O-CG 3.24Å; L439-N443 PolarHBondContact O-N 3.23Å; L439-N443 PolarHBondContact O-ND2 3.3Å
440	Y	54.8	Low	61.5	Low	155 Å²	155	108.2 Å²	108.2	61%	0.608	53%	0.531	S	S	*	.	H	α-helix	trans	-66.3	-36.6	174.8	-87.3	-64.7	0	0	0	112.4	M436 N437 F444	M436-Y440 HydrophobicContact CG-CD2 4.07Å; M436-Y440 HydrophobicContact CG-CE2 3.84Å; M436-Y440 VanDerWaalsContact O-CD2 3.24Å; M436-Y440 WeakPolarHBondContact O-CD2 3.46Å; M436-Y440 PolarHBondContact O-N 3.28Å; M436-Y440 HydrophobicContact SD-CE2 3.93Å; N437-Y440 PolarHBondContact O-N 3.49Å; Y440-F444 WeakPolarHBondContact O-CB 3.07Å; Y440-F444 PolarHBondContact O-N 3.36Å
441	R	48.4	Very low	61.1	Low	197 Å²	197	107.8 Å²	107.8	74%	0.743	53%	0.528	S	S	*	.	H	α-helix	trans	-64.6	-50.5	170.4	-70.8	179.1	-174	-176.4	1.9	111.1	N437 E438 N443 F444	N437-R441 WeakPolarHBondContact O-CG 3.43Å; N437-R441 PolarHBondContact O-N 3.09Å; E438-R441 PolarHBondContact O-N 3.15Å; R441-N443 PolarHBondContact O-N 2.97Å; R441-F444 CarbonylContact O-C 3.31Å; R441-F444 VanDerWaalsContact O-C 3.25Å; R441-F444 PolarHBondContact O-N 3.44Å; R441-F444 VanDerWaalsContact O-N 3.08Å
442	N	51.2	Low	60.6	Low	101 Å²	101	106.3 Å²	106.3	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-70.2	-14.6	-177	-59.8	-12.8	0	0	0	114.4	E438 L439	E438-N442 WeakPolarHBondContact O-CB 3.41Å; E438-N442 PolarHBondContact O-N 2.87Å; E438-N442 PolarHBondContact O-ND2 2.99Å; E438-N442 PolarHBondContact O-OD1 2.6Å; L439-N442 PolarHBondContact O-N 3.49Å
443	N	50.7	Low	60.6	Low	133 Å²	133	105.5 Å²	105.5	71%	0.711	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.5	173.4	-73.7	-27.8	0	0	0	112.7	L439 R441	L439-N443 VanDerWaalsContact O-CB 3.25Å; L439-N443 WeakPolarHBondContact O-CB 3.39Å; L439-N443 VanDerWaalsContact O-CG 3.24Å; L439-N443 PolarHBondContact O-N 3.23Å; L439-N443 PolarHBondContact O-ND2 3.3Å; R441-N443 PolarHBondContact O-N 2.97Å
444	F	49.1	Very low	60.5	Low	155 Å²	155	105 Å²	105	68%	0.68	52%	0.516	S	S	*	.	S	Bend	trans	-136.3	71.3	-178.1	-160.4	-91	0	0	0	108.2	Y440 R441 A446	Y440-F444 WeakPolarHBondContact O-CB 3.07Å; Y440-F444 PolarHBondContact O-N 3.36Å; R441-F444 CarbonylContact O-C 3.31Å; R441-F444 VanDerWaalsContact O-C 3.25Å; R441-F444 PolarHBondContact O-N 3.44Å; R441-F444 VanDerWaalsContact O-N 3.08Å; F444-A446 HydrophobicContact CD1-CB 4.43Å; F444-A446 PolarHBondContact O-N 3.44Å
445	D	44.6	Very low	60.3	Low	85 Å²	85	100.8 Å²	100.8	46%	0.455	50%	0.502	S	S	.	.			trans	-67	72.7	-179.8	-64.8	-35.1	0	0	0	111.3	D447 N448 L449	D445-D447 PolarHBondContact O-N 3.38Å; D445-N448 HydrophobicContact CB-CB 3.66Å; D445-N448 WeakPolarHBondContact CB-ND2 3.23Å; D445-N448 VanDerWaalsContact CG-ND2 3.28Å; D445-N448 PolarHBondContact O-N 3.37Å; D445-N448 VanDerWaalsContact O-N 3.07Å; D445-N448 PolarHBondContact OD2-ND2 3.34Å; D445-L449 PolarHBondContact O-N 2.97Å
446	A	53.4	Low	60.4	Low	53 Å²	53	99.7 Å²	99.7	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-58.5	-25.9	170.5	0	0	0	0	0	111.1	F444 R450	F444-A446 HydrophobicContact CD1-CB 4.43Å; F444-A446 PolarHBondContact O-N 3.44Å; A446-R450 WeakPolarHBondContact O-CB 3.35Å; A446-R450 PolarHBondContact O-N 3.18Å
447	D	58.2	Low	61	Low	114 Å²	114	97 Å²	97	61%	0.61	49%	0.486	S	S	*	.	H	α-helix	trans	-70.2	-44.9	171.6	-65.8	-32	0	0	0	111.9	D445 L449 R450 D451	D445-D447 PolarHBondContact O-N 3.38Å; D447-L449 VanDerWaalsContact C-N 3.31Å; D447-L449 PolarHBondContact O-N 3.03Å; D447-R450 WeakPolarHBondContact O-CB 3.45Å; D447-R450 PolarHBondContact O-N 2.8Å; D447-D451 WeakPolarHBondContact O-CB 3.3Å; D447-D451 VanDerWaalsContact O-CG 3.31Å; D447-D451 PolarHBondContact O-N 3.48Å
448	N	58.2	Low	61.5	Low	97 Å²	97	98.5 Å²	98.5	52%	0.519	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-37.7	173.1	-76.2	-34.3	0	0	0	111.8	D445 T452	D445-N448 HydrophobicContact CB-CB 3.66Å; D445-N448 WeakPolarHBondContact CB-ND2 3.23Å; D445-N448 VanDerWaalsContact CG-ND2 3.28Å; D445-N448 PolarHBondContact O-N 3.37Å; D445-N448 VanDerWaalsContact O-N 3.07Å; D445-N448 PolarHBondContact OD2-ND2 3.34Å; N448-T452 WeakPolarHBondContact O-CB 3.37Å; N448-T452 PolarHBondContact O-N 3.11Å; N448-T452 PolarHBondContact O-OG1 3.18Å
449	L	60.6	Low	62.2	Low	107 Å²	107	97.9 Å²	97.9	56%	0.56	49%	0.486	S	S	*	.	H	α-helix	trans	-68.2	-41	174.7	-177.4	61.5	0	0	0	111.7	D445 D447 T452 V453	D445-L449 PolarHBondContact O-N 2.97Å; D447-L449 VanDerWaalsContact C-N 3.31Å; D447-L449 PolarHBondContact O-N 3.03Å; L449-T452 PolarHBondContact O-N 2.81Å; L449-V453 HydrophobicContact CD1-CG2 4.41Å; L449-V453 WeakPolarHBondContact O-CB 3.5Å; L449-V453 VanDerWaalsContact O-CG2 3.3Å; L449-V453 WeakPolarHBondContact O-CG2 3.46Å; L449-V453 PolarHBondContact O-N 3.36Å
450	R	61.9	Low	63.1	Low	102 Å²	102	96.5 Å²	96.5	39%	0.385	48%	0.481	S	S	.	.	H	α-helix	trans	-58.5	-50.6	173.8	169.6	-170	-173.6	105.8	11.5	110.9	A446 D447 T452 V453 I454 F499	A446-R450 WeakPolarHBondContact O-CB 3.35Å; A446-R450 PolarHBondContact O-N 3.18Å; D447-R450 WeakPolarHBondContact O-CB 3.45Å; D447-R450 PolarHBondContact O-N 2.8Å; R450-T452 VanDerWaalsContact C-N 3.32Å; R450-T452 PolarHBondContact O-N 3.3Å; R450-V453 PolarHBondContact O-N 2.94Å; R450-I454 HydrophobicContact CG-CD1 3.76Å; R450-I454 WeakPolarHBondContact O-CB 3.31Å; R450-I454 VanDerWaalsContact O-CG1 3.28Å; R450-I454 WeakPolarHBondContact O-CG1 3.43Å; R450-I454 PolarHBondContact O-N 2.89Å; R450-F499 HydrophobicContact CG-CZ 4.17Å
451	D	69.7	Low	64.2	Low	92 Å²	92	93.2 Å²	93.2	49%	0.492	47%	0.472	S	S	.	.	H	α-helix	trans	-69.3	-33.6	-177.5	-66.8	-15.9	0	0	0	111.1	D447 S455	D447-D451 WeakPolarHBondContact O-CB 3.3Å; D447-D451 VanDerWaalsContact O-CG 3.31Å; D447-D451 PolarHBondContact O-N 3.48Å; D451-S455 VanDerWaalsContact O-CB 3.28Å; D451-S455 WeakPolarHBondContact O-CB 3.48Å; D451-S455 PolarHBondContact O-N 2.96Å
452	T	70.2	Confident	65.7	Low	76 Å²	76	87.6 Å²	87.6	47%	0.466	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-48.4	168.7	-57.4	0	0	0	0	111.6	N448 L449 R450 I454 S455 E456	N448-T452 WeakPolarHBondContact O-CB 3.37Å; N448-T452 PolarHBondContact O-N 3.11Å; N448-T452 PolarHBondContact O-OG1 3.18Å; L449-T452 PolarHBondContact O-N 2.81Å; R450-T452 VanDerWaalsContact C-N 3.32Å; R450-T452 PolarHBondContact O-N 3.3Å; T452-I454 PolarHBondContact O-N 2.9Å; T452-S455 WeakPolarHBondContact O-CB 3.31Å; T452-S455 PolarHBondContact O-N 2.76Å; T452-E456 PolarHBondContact O-N 2.9Å
453	V	68.1	Low	67	Low	54 Å²	54	87.8 Å²	87.8	33%	0.327	46%	0.462	S	S	.	.	H	α-helix	trans	-64.8	-39.5	179.1	167.4	0	0	0	0	111.6	L449 R450 E456 L457 F499	L449-V453 HydrophobicContact CD1-CG2 4.41Å; L449-V453 WeakPolarHBondContact O-CB 3.5Å; L449-V453 VanDerWaalsContact O-CG2 3.3Å; L449-V453 WeakPolarHBondContact O-CG2 3.46Å; L449-V453 PolarHBondContact O-N 3.36Å; R450-V453 PolarHBondContact O-N 2.94Å; V453-E456 PolarHBondContact O-N 3.36Å; V453-L457 HydrophobicContact CG1-CD1 4.06Å; V453-L457 WeakPolarHBondContact O-CB 3.36Å; V453-L457 VanDerWaalsContact O-CG 3.32Å; V453-L457 WeakPolarHBondContact O-CG 3.42Å; V453-L457 PolarHBondContact O-N 2.79Å; V453-F499 HydrophobicContact CG1-CE2 3.98Å; V453-F499 HydrophobicContact CG1-CZ 4.22Å
454	I	74.5	Confident	68.2	Low	48 Å²	48	82.1 Å²	82.1	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-63.6	-42.6	173.3	-69.4	169	0	0	0	110.3	R450 T452 L457 Q458 F499	R450-I454 HydrophobicContact CG-CD1 3.76Å; R450-I454 WeakPolarHBondContact O-CB 3.31Å; R450-I454 VanDerWaalsContact O-CG1 3.28Å; R450-I454 WeakPolarHBondContact O-CG1 3.43Å; R450-I454 PolarHBondContact O-N 2.89Å; T452-I454 PolarHBondContact O-N 2.9Å; I454-L457 PolarHBondContact O-N 3.49Å; I454-Q458 HydrophobicContact CG2-CG 4.46Å; I454-Q458 WeakPolarHBondContact O-CB 3.43Å; I454-Q458 VanDerWaalsContact O-CG 3.31Å; I454-Q458 WeakPolarHBondContact O-CG 2.94Å; I454-Q458 PolarHBondContact O-N 3.35Å; I454-F499 HydrophobicContact CD1-CE1 4.16Å; I454-F499 HydrophobicContact CG1-CE1 3.9Å; I454-F499 HydrophobicContact CG1-CZ 4.4Å
455	S	73.2	Confident	69.6	Low	47 Å²	47	78.4 Å²	78.4	33%	0.329	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-42.8	176.2	-170.3	0	0	0	0	112.3	D451 T452 Q458 K459	D451-S455 VanDerWaalsContact O-CB 3.28Å; D451-S455 WeakPolarHBondContact O-CB 3.48Å; D451-S455 PolarHBondContact O-N 2.96Å; T452-S455 WeakPolarHBondContact O-CB 3.31Å; T452-S455 PolarHBondContact O-N 2.76Å; S455-Q458 PolarHBondContact O-N 2.98Å; S455-K459 WeakPolarHBondContact O-CE 3.38Å; S455-K459 VanDerWaalsContact O-CG 3.29Å; S455-K459 WeakPolarHBondContact O-CG 3.33Å; S455-K459 PolarHBondContact O-N 3.36Å; S455-K459 WeakPolarHBondContact OG-CE 3.38Å
456	E	74.2	Confident	71.2	Confident	97 Å²	97	78.1 Å²	78.1	45%	0.453	42%	0.424	S	S	.	.	H	α-helix	trans	-67.3	-41.4	175.2	-64.9	-50.3	138.3	0	0	112.4	T452 V453 Q458 K459 V460	T452-E456 PolarHBondContact O-N 2.9Å; V453-E456 PolarHBondContact O-N 3.36Å; E456-Q458 VanDerWaalsContact C-N 3.34Å; E456-Q458 PolarHBondContact O-N 2.84Å; E456-K459 WeakPolarHBondContact O-CB 3.25Å; E456-K459 PolarHBondContact O-N 2.93Å; E456-K459 VanDerWaalsContact O-N 3.15Å; E456-K459 IonicContact OE1-NZ 2.72Å; E456-K459 PolarHBondContact OE1-NZ 3.35Å; E456-K459 WeakPolarHBondContact OE2-CD 3.33Å; E456-K459 IonicContact OE2-NZ 3.2Å; E456-V460 WeakPolarHBondContact O-CG2 3.43Å; E456-V460 PolarHBondContact O-N 2.95Å
457	L	75	Confident	72.2	Confident	38 Å²	38	79.5 Å²	79.5	20%	0.199	42%	0.423	C	S	.	.	H	α-helix	trans	-61	-41.4	175	-73.9	170.5	0	0	0	111.9	V453 I454 K459 V460 E461 L492	V453-L457 HydrophobicContact CG1-CD1 4.06Å; V453-L457 WeakPolarHBondContact O-CB 3.36Å; V453-L457 VanDerWaalsContact O-CG 3.32Å; V453-L457 WeakPolarHBondContact O-CG 3.42Å; V453-L457 PolarHBondContact O-N 2.79Å; I454-L457 PolarHBondContact O-N 3.49Å; L457-K459 VanDerWaalsContact C-N 3.33Å; L457-K459 PolarHBondContact O-N 3.15Å; L457-V460 PolarHBondContact O-N 3.01Å; L457-E461 PolarHBondContact O-N 3.29Å; L457-L492 HydrophobicContact CD2-CD1 4.37Å
458	Q	77	Confident	72.9	Confident	114 Å²	114	76.3 Å²	76.3	53%	0.533	40%	0.404	S	S	.	.	H	α-helix	trans	-65	-32.9	174.7	-74.3	173.8	-5.7	0	0	112.9	I454 S455 E456 S462	I454-Q458 HydrophobicContact CG2-CG 4.46Å; I454-Q458 WeakPolarHBondContact O-CB 3.43Å; I454-Q458 VanDerWaalsContact O-CG 3.31Å; I454-Q458 WeakPolarHBondContact O-CG 2.94Å; I454-Q458 PolarHBondContact O-N 3.35Å; S455-Q458 PolarHBondContact O-N 2.98Å; E456-Q458 VanDerWaalsContact C-N 3.34Å; E456-Q458 PolarHBondContact O-N 2.84Å; Q458-S462 WeakPolarHBondContact O-CB 3.4Å; Q458-S462 PolarHBondContact O-N 3.19Å
459	K	77.9	Confident	73.7	Confident	95 Å²	95	75.5 Å²	75.5	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-42.6	172.2	-69.2	163.7	-155.2	171.6	0	111.1	S455 E456 L457 S462 I463	S455-K459 WeakPolarHBondContact O-CE 3.38Å; S455-K459 VanDerWaalsContact O-CG 3.29Å; S455-K459 WeakPolarHBondContact O-CG 3.33Å; S455-K459 PolarHBondContact O-N 3.36Å; S455-K459 WeakPolarHBondContact OG-CE 3.38Å; E456-K459 WeakPolarHBondContact O-CB 3.25Å; E456-K459 PolarHBondContact O-N 2.93Å; E456-K459 VanDerWaalsContact O-N 3.15Å; E456-K459 IonicContact OE1-NZ 2.72Å; E456-K459 PolarHBondContact OE1-NZ 3.35Å; E456-K459 WeakPolarHBondContact OE2-CD 3.33Å; E456-K459 IonicContact OE2-NZ 3.2Å; L457-K459 VanDerWaalsContact C-N 3.33Å; L457-K459 PolarHBondContact O-N 3.15Å; K459-S462 WeakPolarHBondContact O-CB 3.39Å; K459-S462 PolarHBondContact O-N 3.45Å; K459-I463 WeakPolarHBondContact O-CD1 3.36Å; K459-I463 VanDerWaalsContact O-CG1 3.27Å; K459-I463 WeakPolarHBondContact O-CG1 3.35Å; K459-I463 PolarHBondContact O-N 2.89Å
460	V	73.9	Confident	74.4	Confident	66 Å²	66	75.8 Å²	75.8	40%	0.4	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175.5	179.2	0	0	0	0	111	E456 L457 S462 I463 I464 L492	E456-V460 WeakPolarHBondContact O-CG2 3.43Å; E456-V460 PolarHBondContact O-N 2.95Å; L457-V460 PolarHBondContact O-N 3.01Å; V460-S462 VanDerWaalsContact C-N 3.32Å; V460-S462 PolarHBondContact O-N 3.48Å; V460-I463 PolarHBondContact O-N 2.83Å; V460-I464 HydrophobicContact CG1-CD1 3.88Å; V460-I464 HydrophobicContact CG1-CG1 4.46Å; V460-I464 WeakPolarHBondContact O-CG1 3.3Å; V460-I464 PolarHBondContact O-N 2.86Å; V460-L492 HydrophobicContact CB-CD1 4.23Å; V460-L492 HydrophobicContact CG1-CD1 3.77Å
461	E	78.5	Confident	74.8	Confident	87 Å²	87	71.5 Å²	71.5	41%	0.407	38%	0.379	S	S	.	.	H	α-helix	trans	-57.8	-43	173.9	-168.8	-177	173.4	0	0	111.9	L457 I464 N465 L492	L457-E461 PolarHBondContact O-N 3.29Å; E461-I464 PolarHBondContact O-N 3.24Å; E461-N465 WeakPolarHBondContact O-CB 3.39Å; E461-N465 PolarHBondContact O-N 2.85Å; E461-N465 PolarHBondContact O-ND2 2.89Å; E461-L492 HydrophobicContact CB-CD2 3.91Å; E461-L492 HydrophobicContact CG-CD2 4.08Å
462	S	79	Confident	74.9	Confident	79 Å²	79	72.5 Å²	72.5	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-63.5	-41.8	175.6	-169.5	0	0	0	0	112.4	Q458 K459 V460 N465 S466	Q458-S462 WeakPolarHBondContact O-CB 3.4Å; Q458-S462 PolarHBondContact O-N 3.19Å; K459-S462 WeakPolarHBondContact O-CB 3.39Å; K459-S462 PolarHBondContact O-N 3.45Å; V460-S462 VanDerWaalsContact C-N 3.32Å; V460-S462 PolarHBondContact O-N 3.48Å; S462-N465 PolarHBondContact O-N 2.83Å; S462-S466 WeakPolarHBondContact O-CB 3.37Å; S462-S466 PolarHBondContact O-N 3.45Å
463	I	78.1	Confident	75.1	Confident	104 Å²	104	74.1 Å²	74.1	53%	0.533	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-44.3	177.4	-69.5	163	0	0	0	111.2	K459 V460 S466 L467	K459-I463 WeakPolarHBondContact O-CD1 3.36Å; K459-I463 VanDerWaalsContact O-CG1 3.27Å; K459-I463 WeakPolarHBondContact O-CG1 3.35Å; K459-I463 PolarHBondContact O-N 2.89Å; V460-I463 PolarHBondContact O-N 2.83Å; I463-S466 WeakPolarHBondContact O-CB 3.28Å; I463-S466 PolarHBondContact O-N 2.87Å; I463-L467 HydrophobicContact CG2-CD1 4.06Å; I463-L467 WeakPolarHBondContact O-CG 3.25Å; I463-L467 PolarHBondContact O-N 3.15Å
464	I	77.5	Confident	75.4	Confident	15 Å²	15	78 Å²	78	8%	0.077	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-42.7	177.1	-70.5	169.5	0	0	0	110.7	V460 E461 S466 L467 K468 L488 E489 L492	V460-I464 HydrophobicContact CG1-CD1 3.88Å; V460-I464 HydrophobicContact CG1-CG1 4.46Å; V460-I464 WeakPolarHBondContact O-CG1 3.3Å; V460-I464 PolarHBondContact O-N 2.86Å; E461-I464 PolarHBondContact O-N 3.24Å; I464-S466 VanDerWaalsContact C-N 3.34Å; I464-S466 PolarHBondContact O-N 3.03Å; I464-L467 PolarHBondContact O-N 3.45Å; I464-K468 WeakPolarHBondContact O-CB 3.48Å; I464-K468 PolarHBondContact O-N 3.33Å; I464-L488 HydrophobicContact CD1-CB 4.35Å; I464-E489 HydrophobicContact CG2-CG 3.82Å; I464-L492 HydrophobicContact CD1-CB 4.46Å; I464-L492 HydrophobicContact CD1-CD2 4.19Å
465	N	78.6	Confident	75.1	Confident	76 Å²	76	80.7 Å²	80.7	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-36.9	174.7	-83.7	-72.8	0	0	0	113	E461 S462 K468 Q469	E461-N465 WeakPolarHBondContact O-CB 3.39Å; E461-N465 PolarHBondContact O-N 2.85Å; E461-N465 PolarHBondContact O-ND2 2.89Å; S462-N465 PolarHBondContact O-N 2.83Å; N465-K468 PolarHBondContact O-N 2.89Å; N465-Q469 PolarHBondContact O-N 2.83Å
466	S	77	Confident	74.3	Confident	79 Å²	79	84.4 Å²	84.4	55%	0.552	42%	0.421	S	S	*	.	H	α-helix	trans	-66	-44.3	174.4	-169	0	0	0	0	112	S462 I463 I464 Q469 F470	S462-S466 WeakPolarHBondContact O-CB 3.37Å; S462-S466 PolarHBondContact O-N 3.45Å; I463-S466 WeakPolarHBondContact O-CB 3.28Å; I463-S466 PolarHBondContact O-N 2.87Å; I464-S466 VanDerWaalsContact C-N 3.34Å; I464-S466 PolarHBondContact O-N 3.03Å; S466-Q469 PolarHBondContact O-N 3.32Å; S466-F470 PolarHBondContact O-N 2.9Å
467	L	74.4	Confident	73.5	Confident	82 Å²	82	88.8 Å²	88.8	43%	0.429	44%	0.441	S	S	.	.	H	α-helix	trans	-60.1	-45.9	173.1	-78.5	165.1	0	0	0	111.6	I463 I464 Q469 F470 V471	I463-L467 HydrophobicContact CG2-CD1 4.06Å; I463-L467 WeakPolarHBondContact O-CG 3.25Å; I463-L467 PolarHBondContact O-N 3.15Å; I464-L467 PolarHBondContact O-N 3.45Å; L467-Q469 VanDerWaalsContact C-N 3.3Å; L467-Q469 PolarHBondContact O-N 3.23Å; L467-F470 PolarHBondContact O-N 3.46Å; L467-V471 WeakPolarHBondContact O-CB 3.49Å; L467-V471 WeakPolarHBondContact O-CG2 3.39Å; L467-V471 PolarHBondContact O-N 3.25Å
468	K	73.5	Confident	73.3	Confident	47 Å²	47	88.1 Å²	88.1	20%	0.204	44%	0.44	C	S	.	.	H	α-helix	trans	-54.7	-44.6	173.3	-92.4	-166.5	162.7	-175.2	0	112.6	I464 N465 R472 I485 E489	I464-K468 WeakPolarHBondContact O-CB 3.48Å; I464-K468 PolarHBondContact O-N 3.33Å; N465-K468 PolarHBondContact O-N 2.89Å; K468-R472 WeakPolarHBondContact O-CG 3.33Å; K468-R472 PolarHBondContact O-N 2.86Å; K468-I485 HydrophobicContact CD-CG2 4.21Å; K468-I485 HydrophobicContact CG-CG2 3.4Å; K468-E489 WeakPolarHBondContact CD-OE1 3.36Å; K468-E489 WeakPolarHBondContact CE-OE1 3.42Å; K468-E489 VanDerWaalsContact CE-OE2 3.3Å; K468-E489 WeakPolarHBondContact CE-OE2 3.49Å; K468-E489 IonicContact NZ-OE1 3.62Å; K468-E489 PolarHBondContact NZ-OE1 3.32Å; K468-E489 IonicContact NZ-OE2 3.64Å; K468-E489 PolarHBondContact NZ-OE2 2.92Å
469	Q	74.5	Confident	73	Confident	81 Å²	81	86.9 Å²	86.9	38%	0.379	44%	0.441	S	S	.	.	H	α-helix	trans	-68.7	-45.9	-180	-171.9	54.5	31.8	0	0	111.4	N465 S466 L467 V471 R472 D473	N465-Q469 PolarHBondContact O-N 2.83Å; S466-Q469 PolarHBondContact O-N 3.32Å; L467-Q469 VanDerWaalsContact C-N 3.3Å; L467-Q469 PolarHBondContact O-N 3.23Å; Q469-V471 VanDerWaalsContact C-N 3.3Å; Q469-V471 PolarHBondContact O-N 2.82Å; Q469-R472 PolarHBondContact O-N 2.82Å; Q469-D473 PolarHBondContact NE2-OD1 2.86Å; Q469-D473 PolarHBondContact NE2-OD2 3.25Å; Q469-D473 WeakPolarHBondContact O-CB 3.49Å; Q469-D473 VanDerWaalsContact O-CG 3.24Å; Q469-D473 PolarHBondContact O-N 3.09Å
470	F	75.5	Confident	72.7	Confident	113 Å²	113	89.3 Å²	89.3	50%	0.496	45%	0.454	S	S	.	.	H	α-helix	trans	-57.6	-41.2	175.1	-180	-96.5	0	0	0	112.6	S466 L467 D473 K474 F475	S466-F470 PolarHBondContact O-N 2.9Å; L467-F470 PolarHBondContact O-N 3.46Å; F470-D473 PolarHBondContact O-N 2.83Å; F470-K474 HydrophobicContact CD2-CG 4.24Å; F470-K474 HydrophobicContact CE1-CG 4.35Å; F470-K474 HydrophobicContact CE2-CG 4Å; F470-K474 HydrophobicContact CZ-CG 4.06Å; F470-K474 VanDerWaalsContact O-CB 3.25Å; F470-K474 WeakPolarHBondContact O-CB 3.36Å; F470-K474 VanDerWaalsContact O-CG 3.28Å; F470-K474 WeakPolarHBondContact O-CG 3.42Å; F470-K474 PolarHBondContact O-N 3.02Å; F470-K474 VanDerWaalsContact O-N 3.09Å; F470-F475 HydrophobicContact CE1-CE2 4.04Å
471	V	71.5	Confident	72.6	Confident	11 Å²	11	89.9 Å²	89.9	7%	0.067	46%	0.455	C	S	.	.	H	α-helix	trans	-71	-38.9	179	168.7	0	0	0	0	112.1	L467 Q469 D473 K474 F475 L481 I482 I485	L467-V471 WeakPolarHBondContact O-CB 3.49Å; L467-V471 WeakPolarHBondContact O-CG2 3.39Å; L467-V471 PolarHBondContact O-N 3.25Å; Q469-V471 VanDerWaalsContact C-N 3.3Å; Q469-V471 PolarHBondContact O-N 2.82Å; V471-D473 PolarHBondContact O-N 2.91Å; V471-K474 PolarHBondContact O-N 3.42Å; V471-F475 HydrophobicContact CG1-CB 4.3Å; V471-F475 CarbonylContact O-C 3.59Å; V471-F475 VanDerWaalsContact O-C 3.3Å; V471-F475 VanDerWaalsContact O-CA 3.31Å; V471-F475 WeakPolarHBondContact O-CA 3.42Å; V471-F475 PolarHBondContact O-N 2.92Å; V471-L481 HydrophobicContact CG1-CD2 4.09Å; V471-L481 HydrophobicContact CG2-CD2 3.69Å; V471-I482 HydrophobicContact CG1-CG1 4.49Å; V471-I485 HydrophobicContact CB-CD1 4.09Å; V471-I485 HydrophobicContact CG1-CD1 4.23Å; V471-I485 HydrophobicContact CG2-CD1 3.71Å
472	R	70.6	Confident	72.3	Confident	113 Å²	113	89.4 Å²	89.4	43%	0.426	45%	0.454	S	S	.	.	H	α-helix	trans	-62.2	-40.6	169.5	-73.6	-174.8	-65.1	-105.9	1.1	112.6	K468 Q469 K474 N476	K468-R472 WeakPolarHBondContact O-CG 3.33Å; K468-R472 PolarHBondContact O-N 2.86Å; Q469-R472 PolarHBondContact O-N 2.82Å; R472-K474 VanDerWaalsContact C-N 3.28Å; R472-K474 PolarHBondContact O-N 3.46Å; R472-N476 PolarHBondContact O-ND2 2.7Å; R472-N476 PolarHBondContact O-OD1 3.03Å; R472-N476 VanDerWaalsContact O-OD1 3.08Å
473	D	75.1	Confident	72.3	Confident	110 Å²	110	88.5 Å²	88.5	59%	0.588	45%	0.448	S	S	*	.	H	α-helix	trans	-76.8	-12.4	-176.9	-67.6	-23.8	0	0	0	113.8	Q469 F470 V471	Q469-D473 PolarHBondContact NE2-OD1 2.86Å; Q469-D473 PolarHBondContact NE2-OD2 3.25Å; Q469-D473 WeakPolarHBondContact O-CB 3.49Å; Q469-D473 VanDerWaalsContact O-CG 3.24Å; Q469-D473 PolarHBondContact O-N 3.09Å; F470-D473 PolarHBondContact O-N 2.83Å; V471-D473 PolarHBondContact O-N 2.91Å
474	K	73.5	Confident	72.2	Confident	137 Å²	137	90.1 Å²	90.1	60%	0.596	45%	0.448	S	S	*	.	H	α-helix	trans	-126.5	-30.2	-174.3	-66.1	-68.8	-176	178.6	0	115.6	F470 V471 R472	F470-K474 HydrophobicContact CD2-CG 4.24Å; F470-K474 HydrophobicContact CE1-CG 4.35Å; F470-K474 HydrophobicContact CE2-CG 4Å; F470-K474 HydrophobicContact CZ-CG 4.06Å; F470-K474 VanDerWaalsContact O-CB 3.25Å; F470-K474 WeakPolarHBondContact O-CB 3.36Å; F470-K474 VanDerWaalsContact O-CG 3.28Å; F470-K474 WeakPolarHBondContact O-CG 3.42Å; F470-K474 PolarHBondContact O-N 3.02Å; F470-K474 VanDerWaalsContact O-N 3.09Å; V471-K474 PolarHBondContact O-N 3.42Å; R472-K474 VanDerWaalsContact C-N 3.28Å; R472-K474 PolarHBondContact O-N 3.46Å
475	F	68.2	Low	72.1	Confident	104 Å²	104	90.2 Å²	90.2	46%	0.456	45%	0.449	S	S	.	.			trans	-142.2	46.4	-162.6	-60.1	-73.1	0	0	0	112.3	F470 V471 E477 S478	F470-F475 HydrophobicContact CE1-CE2 4.04Å; V471-F475 HydrophobicContact CG1-CB 4.3Å; V471-F475 CarbonylContact O-C 3.59Å; V471-F475 VanDerWaalsContact O-C 3.3Å; V471-F475 VanDerWaalsContact O-CA 3.31Å; V471-F475 WeakPolarHBondContact O-CA 3.42Å; V471-F475 PolarHBondContact O-N 2.92Å; F475-E477 PolarHBondContact O-N 3.16Å; F475-S478 PolarHBondContact O-N 3.38Å; F475-S478 PolarHBondContact O-OG 3.14Å
476	N	56.9	Low	72	Confident	125 Å²	125	91.7 Å²	91.7	67%	0.668	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-7.7	177.5	-86.5	-38	0	0	0	115.6	R472	R472-N476 PolarHBondContact O-ND2 2.7Å; R472-N476 PolarHBondContact O-OD1 3.03Å; R472-N476 VanDerWaalsContact O-OD1 3.08Å
477	E	57.1	Low	71.9	Confident	188 Å²	188	92.4 Å²	92.4	88%	0.879	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	11.8	-175.7	-60.9	-175.2	164.8	0	0	113.9	F475 P479	F475-E477 PolarHBondContact O-N 3.16Å; E477-P479 WeakPolarHBondContact O-CD 3.39Å
478	S	70.6	Confident	71.9	Confident	25 Å²	25	91.2 Å²	91.2	18%	0.175	44%	0.442	C	S	.	.			trans	-101.9	91	176.2	63.6	0	0	0	0	112.4	F475 E480 L481 I482	F475-S478 PolarHBondContact O-N 3.38Å; F475-S478 PolarHBondContact O-OG 3.14Å; S478-E480 PolarHBondContact O-N 3.32Å; S478-L481 PolarHBondContact O-N 3.06Å; S478-L481 WeakPolarHBondContact OG-CB 3.48Å; S478-I482 WeakPolarHBondContact O-CG1 3.45Å; S478-I482 PolarHBondContact O-N 3.36Å
479	P	70.4	Confident	71.9	Confident	87 Å²	87	91.2 Å²	91.2	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-66.8	-32.7	-176.1	27.9	-35.6	0	0	0	113.1	E477 L481 I482 S483	E477-P479 WeakPolarHBondContact O-CD 3.39Å; P479-L481 VanDerWaalsContact C-N 3.31Å; P479-L481 PolarHBondContact O-N 3.48Å; P479-I482 PolarHBondContact O-N 3.14Å; P479-S483 PolarHBondContact O-N 2.95Å
480	E	73.1	Confident	71.8	Confident	146 Å²	146	92.9 Å²	92.9	68%	0.682	45%	0.454	S	S	*	.	H	α-helix	trans	-64.2	-39.8	179.3	-52.3	98.3	163.5	0	0	111.3	S478 I482 S483 Y484	S478-E480 PolarHBondContact O-N 3.32Å; E480-I482 VanDerWaalsContact C-N 3.33Å; E480-I482 PolarHBondContact O-N 3.35Å; E480-S483 PolarHBondContact O-N 3.48Å; E480-Y484 PolarHBondContact O-N 2.98Å
481	L	70.2	Confident	71.6	Confident	78 Å²	78	92.3 Å²	92.3	41%	0.408	46%	0.455	S	S	.	.	H	α-helix	trans	-70.1	-32.1	179.6	-148.2	75.5	0	0	0	112	V471 S478 P479 I485	V471-L481 HydrophobicContact CG1-CD2 4.09Å; V471-L481 HydrophobicContact CG2-CD2 3.69Å; S478-L481 PolarHBondContact O-N 3.06Å; S478-L481 WeakPolarHBondContact OG-CB 3.48Å; P479-L481 VanDerWaalsContact C-N 3.31Å; P479-L481 PolarHBondContact O-N 3.48Å; L481-I485 WeakPolarHBondContact O-CB 3.24Å; L481-I485 WeakPolarHBondContact O-CD1 3.29Å; L481-I485 VanDerWaalsContact O-CG1 3.25Å; L481-I485 WeakPolarHBondContact O-CG1 3.45Å; L481-I485 PolarHBondContact O-N 2.98Å
482	I	74.2	Confident	71.6	Confident	77 Å²	77	92.4 Å²	92.4	40%	0.395	46%	0.455	S	S	.	.	H	α-helix	trans	-69.1	-45.4	173.4	-65.4	168.1	0	0	0	110	V471 S478 P479 E480 Y484 I485 Q486	V471-I482 HydrophobicContact CG1-CG1 4.49Å; S478-I482 WeakPolarHBondContact O-CG1 3.45Å; S478-I482 PolarHBondContact O-N 3.36Å; P479-I482 PolarHBondContact O-N 3.14Å; E480-I482 VanDerWaalsContact C-N 3.33Å; E480-I482 PolarHBondContact O-N 3.35Å; I482-Y484 PolarHBondContact O-N 3.23Å; I482-I485 PolarHBondContact O-N 3.31Å; I482-Q486 WeakPolarHBondContact O-CB 3.42Å; I482-Q486 PolarHBondContact O-N 3.38Å
483	S	77.2	Confident	71.6	Confident	60 Å²	60	91.1 Å²	91.1	42%	0.42	46%	0.46	S	S	.	.	H	α-helix	trans	-55.7	-51.5	175.8	-167.9	0	0	0	0	111.7	P479 E480 I485 Q486 E487	P479-S483 PolarHBondContact O-N 2.95Å; E480-S483 PolarHBondContact O-N 3.48Å; S483-I485 VanDerWaalsContact C-N 3.31Å; S483-I485 PolarHBondContact O-N 2.96Å; S483-Q486 WeakPolarHBondContact O-CA 3.18Å; S483-Q486 WeakPolarHBondContact O-CB 3.38Å; S483-Q486 PolarHBondContact O-N 3.42Å; S483-E487 PolarHBondContact O-N 3.1Å; S483-E487 PolarHBondContact OG-OE1 3.48Å
484	Y	76.8	Confident	71.4	Confident	139 Å²	139	87.2 Å²	87.2	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-35.8	-178	-171.3	-108.2	0	0	0	113.1	E480 I482 Q486 L488	E480-Y484 PolarHBondContact O-N 2.98Å; I482-Y484 PolarHBondContact O-N 3.23Å; Y484-Q486 VanDerWaalsContact C-N 3.28Å; Y484-Q486 PolarHBondContact O-N 3.09Å; Y484-L488 HydrophobicContact CD1-CD1 4.2Å; Y484-L488 HydrophobicContact CE1-CD1 3.96Å; Y484-L488 WeakPolarHBondContact O-CG 3.44Å; Y484-L488 PolarHBondContact O-N 2.66Å
485	I	75.6	Confident	71.1	Confident	17 Å²	17	85 Å²	85	9%	0.087	44%	0.439	C	S	.	.	H	α-helix	trans	-69.8	-28.5	174.5	-72	170.1	0	0	0	111.7	K468 V471 L481 I482 S483 E489	K468-I485 HydrophobicContact CD-CG2 4.21Å; K468-I485 HydrophobicContact CG-CG2 3.4Å; V471-I485 HydrophobicContact CB-CD1 4.09Å; V471-I485 HydrophobicContact CG1-CD1 4.23Å; V471-I485 HydrophobicContact CG2-CD1 3.71Å; L481-I485 WeakPolarHBondContact O-CB 3.24Å; L481-I485 WeakPolarHBondContact O-CD1 3.29Å; L481-I485 VanDerWaalsContact O-CG1 3.25Å; L481-I485 WeakPolarHBondContact O-CG1 3.45Å; L481-I485 PolarHBondContact O-N 2.98Å; I482-I485 PolarHBondContact O-N 3.31Å; S483-I485 VanDerWaalsContact C-N 3.31Å; S483-I485 PolarHBondContact O-N 2.96Å; I485-E489 PolarHBondContact O-N 2.89Å
486	Q	75.4	Confident	71.1	Confident	107 Å²	107	82.8 Å²	82.8	50%	0.5	43%	0.432	S	S	.	.	H	α-helix	trans	-78.8	-38	178.1	-157.2	159.7	-29.8	0	0	111.6	I482 S483 Y484 L488 E489 D490	I482-Q486 WeakPolarHBondContact O-CB 3.42Å; I482-Q486 PolarHBondContact O-N 3.38Å; S483-Q486 WeakPolarHBondContact O-CA 3.18Å; S483-Q486 WeakPolarHBondContact O-CB 3.38Å; S483-Q486 PolarHBondContact O-N 3.42Å; Y484-Q486 VanDerWaalsContact C-N 3.28Å; Y484-Q486 PolarHBondContact O-N 3.09Å; Q486-L488 VanDerWaalsContact C-N 3.29Å; Q486-L488 PolarHBondContact O-N 3.42Å; Q486-E489 WeakPolarHBondContact O-CB 3.39Å; Q486-E489 PolarHBondContact O-N 3.39Å; Q486-D490 PolarHBondContact O-N 3.45Å
487	E	75.1	Confident	71.6	Confident	94 Å²	94	82.5 Å²	82.5	44%	0.439	43%	0.425	S	S	.	.	H	α-helix	trans	-56.5	-41.2	168.3	-70.8	160	-141.7	0	0	111.9	S483 E489 D490 I491	S483-E487 PolarHBondContact O-N 3.1Å; S483-E487 PolarHBondContact OG-OE1 3.48Å; E487-E489 VanDerWaalsContact C-N 3.3Å; E487-E489 PolarHBondContact O-N 3.15Å; E487-D490 PolarHBondContact O-N 3.43Å; E487-I491 VanDerWaalsContact O-CG1 3.29Å; E487-I491 WeakPolarHBondContact O-CG1 3.36Å; E487-I491 PolarHBondContact O-N 3.43Å
488	L	75.1	Confident	71.9	Confident	57 Å²	57	78.4 Å²	78.4	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-31	175.3	-69.2	171.1	0	0	0	113.1	I464 Y484 Q486 L492	I464-L488 HydrophobicContact CD1-CB 4.35Å; Y484-L488 HydrophobicContact CD1-CD1 4.2Å; Y484-L488 HydrophobicContact CE1-CD1 3.96Å; Y484-L488 WeakPolarHBondContact O-CG 3.44Å; Y484-L488 PolarHBondContact O-N 2.66Å; Q486-L488 VanDerWaalsContact C-N 3.29Å; Q486-L488 PolarHBondContact O-N 3.42Å; L488-L492 WeakPolarHBondContact O-CB 3.47Å; L488-L492 PolarHBondContact O-N 3.31Å
489	E	73.2	Confident	71.5	Confident	47 Å²	47	79.9 Å²	79.9	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-74.9	-39	173.4	-77.9	-175.2	153.6	0	0	113	I464 K468 I485 Q486 E487 I491 L492 T493	I464-E489 HydrophobicContact CG2-CG 3.82Å; K468-E489 WeakPolarHBondContact CD-OE1 3.36Å; K468-E489 WeakPolarHBondContact CE-OE1 3.42Å; K468-E489 VanDerWaalsContact CE-OE2 3.3Å; K468-E489 WeakPolarHBondContact CE-OE2 3.49Å; K468-E489 IonicContact NZ-OE1 3.62Å; K468-E489 PolarHBondContact NZ-OE1 3.32Å; K468-E489 IonicContact NZ-OE2 3.64Å; K468-E489 PolarHBondContact NZ-OE2 2.92Å; I485-E489 PolarHBondContact O-N 2.89Å; Q486-E489 WeakPolarHBondContact O-CB 3.39Å; Q486-E489 PolarHBondContact O-N 3.39Å; E487-E489 VanDerWaalsContact C-N 3.3Å; E487-E489 PolarHBondContact O-N 3.15Å; E489-I491 VanDerWaalsContact C-N 3.3Å; E489-I491 PolarHBondContact O-N 3.04Å; E489-L492 PolarHBondContact O-N 2.89Å; E489-T493 VanDerWaalsContact O-CB 3.23Å; E489-T493 WeakPolarHBondContact O-CB 3.34Å; E489-T493 PolarHBondContact O-N 3.28Å; E489-T493 PolarHBondContact O-OG1 2.94Å
490	D	73.3	Confident	71	Confident	115 Å²	115	80 Å²	80	62%	0.615	41%	0.407	S	S	*	.	H	α-helix	trans	-63.9	-39.1	175.7	-74.5	-32.8	0	0	0	110.6	Q486 E487 G494	Q486-D490 PolarHBondContact O-N 3.45Å; E487-D490 PolarHBondContact O-N 3.43Å; D490-G494 PolarHBondContact O-N 2.82Å
491	I	71.2	Confident	70.2	Confident	101 Å²	101	78.3 Å²	78.3	52%	0.518	40%	0.399	S	S	.	.	H	α-helix	trans	-62.6	-49	171.3	-67.9	165	0	0	0	111.3	E487 E489 T493 G494 L495	E487-I491 VanDerWaalsContact O-CG1 3.29Å; E487-I491 WeakPolarHBondContact O-CG1 3.36Å; E487-I491 PolarHBondContact O-N 3.43Å; E489-I491 VanDerWaalsContact C-N 3.3Å; E489-I491 PolarHBondContact O-N 3.04Å; I491-T493 PolarHBondContact O-N 3.13Å; I491-G494 PolarHBondContact O-N 3.36Å; I491-L495 HydrophobicContact CG2-CD1 4.15Å; I491-L495 WeakPolarHBondContact O-CG 3.29Å; I491-L495 PolarHBondContact O-N 2.88Å
492	L	69.9	Low	69.4	Low	14 Å²	14	78 Å²	78	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-43.8	179.6	-168	79.5	0	0	0	111.6	L457 V460 E461 I464 L488 E489 G494 L495 I496	L457-L492 HydrophobicContact CD2-CD1 4.37Å; V460-L492 HydrophobicContact CB-CD1 4.23Å; V460-L492 HydrophobicContact CG1-CD1 3.77Å; E461-L492 HydrophobicContact CB-CD2 3.91Å; E461-L492 HydrophobicContact CG-CD2 4.08Å; I464-L492 HydrophobicContact CD1-CB 4.46Å; I464-L492 HydrophobicContact CD1-CD2 4.19Å; L488-L492 WeakPolarHBondContact O-CB 3.47Å; L488-L492 PolarHBondContact O-N 3.31Å; E489-L492 PolarHBondContact O-N 2.89Å; L492-G494 VanDerWaalsContact C-N 3.35Å; L492-L495 PolarHBondContact O-N 3.04Å; L492-I496 HydrophobicContact CD2-CD1 4.28Å; L492-I496 HydrophobicContact CG-CD1 4.02Å; L492-I496 VanDerWaalsContact O-CG1 3.31Å; L492-I496 WeakPolarHBondContact O-CG1 3.32Å; L492-I496 PolarHBondContact O-N 3.24Å
493	T	72	Confident	68.1	Low	86 Å²	86	79.4 Å²	79.4	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-40.4	177.7	-56.3	0	0	0	0	110.8	E489 I491 I496 K497	E489-T493 VanDerWaalsContact O-CB 3.23Å; E489-T493 WeakPolarHBondContact O-CB 3.34Å; E489-T493 PolarHBondContact O-N 3.28Å; E489-T493 PolarHBondContact O-OG1 2.94Å; I491-T493 PolarHBondContact O-N 3.13Å; T493-I496 PolarHBondContact O-N 3.45Å; T493-K497 VanDerWaalsContact O-CB 3.25Å; T493-K497 WeakPolarHBondContact O-CB 3.27Å; T493-K497 PolarHBondContact O-N 3.36Å
494	G	69.7	Low	66.5	Low	28 Å²	28	84.8 Å²	84.8	29%	0.289	43%	0.428	S	S	.	.	H	α-helix	trans	-59.6	-46.7	172.1	0	0	0	0	0	112.7	D490 I491 L492 K497 I498	D490-G494 PolarHBondContact O-N 2.82Å; I491-G494 PolarHBondContact O-N 3.36Å; L492-G494 VanDerWaalsContact C-N 3.35Å; G494-K497 PolarHBondContact O-N 2.95Å; G494-I498 WeakPolarHBondContact O-CB 3.13Å; G494-I498 VanDerWaalsContact O-CG1 3.26Å; G494-I498 WeakPolarHBondContact O-CG1 3.25Å; G494-I498 PolarHBondContact O-N 3.02Å
495	L	68	Low	64.7	Low	89 Å²	89	83.9 Å²	83.9	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-46.1	176.6	-70.9	169.3	0	0	0	112.1	I491 L492 K497 I498 F499	I491-L495 HydrophobicContact CG2-CD1 4.15Å; I491-L495 WeakPolarHBondContact O-CG 3.29Å; I491-L495 PolarHBondContact O-N 2.88Å; L492-L495 PolarHBondContact O-N 3.04Å; L495-K497 VanDerWaalsContact C-N 3.3Å; L495-K497 PolarHBondContact O-N 2.9Å; L495-I498 PolarHBondContact O-N 2.88Å; L495-F499 WeakPolarHBondContact O-CB 3.23Å; L495-F499 PolarHBondContact O-N 2.57Å
496	I	68.3	Low	63.2	Low	58 Å²	58	86.2 Å²	86.2	30%	0.297	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-40	175.9	-69.4	166.6	0	0	0	110.6	L492 T493 N500	L492-I496 HydrophobicContact CD2-CD1 4.28Å; L492-I496 HydrophobicContact CG-CD1 4.02Å; L492-I496 VanDerWaalsContact O-CG1 3.31Å; L492-I496 WeakPolarHBondContact O-CG1 3.32Å; L492-I496 PolarHBondContact O-N 3.24Å; T493-I496 PolarHBondContact O-N 3.45Å; I496-N500 WeakPolarHBondContact O-CB 3.4Å; I496-N500 PolarHBondContact O-N 2.96Å; I496-N500 PolarHBondContact O-ND2 3.26Å
497	K	67.4	Low	61.6	Low	119 Å²	119	87.5 Å²	87.5	52%	0.517	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-51.6	176.6	-176.5	179.4	174.4	-173.2	0	111.6	T493 G494 L495 F499 N500 E501	T493-K497 VanDerWaalsContact O-CB 3.25Å; T493-K497 WeakPolarHBondContact O-CB 3.27Å; T493-K497 PolarHBondContact O-N 3.36Å; G494-K497 PolarHBondContact O-N 2.95Å; L495-K497 VanDerWaalsContact C-N 3.3Å; L495-K497 PolarHBondContact O-N 2.9Å; K497-F499 VanDerWaalsContact C-N 3.29Å; K497-F499 PolarHBondContact O-N 3.25Å; K497-N500 PolarHBondContact O-N 3.32Å; K497-N500 VanDerWaalsContact O-N 3.13Å; K497-E501 WeakPolarHBondContact CE-OE1 3.19Å; K497-E501 WeakPolarHBondContact CE-OE2 3.21Å; K497-E501 HydrophobicContact CG-CG 4.27Å; K497-E501 IonicContact NZ-OE1 3.41Å; K497-E501 WeakPolarHBondContact O-CG 3.4Å; K497-E501 PolarHBondContact O-N 3.33Å
498	I	62.7	Low	60.2	Low	102 Å²	102	90.5 Å²	90.5	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-56.6	-43.6	178.4	-69.8	163.4	0	0	0	110.9	G494 L495 N500 E501 S502	G494-I498 WeakPolarHBondContact O-CB 3.13Å; G494-I498 VanDerWaalsContact O-CG1 3.26Å; G494-I498 WeakPolarHBondContact O-CG1 3.25Å; G494-I498 PolarHBondContact O-N 3.02Å; L495-I498 PolarHBondContact O-N 2.88Å; I498-N500 VanDerWaalsContact C-N 3.34Å; I498-N500 PolarHBondContact O-N 3.02Å; I498-E501 PolarHBondContact O-N 3.35Å; I498-S502 VanDerWaalsContact O-CB 3.25Å; I498-S502 WeakPolarHBondContact O-CB 3.5Å; I498-S502 PolarHBondContact O-N 2.65Å; I498-S502 PolarHBondContact O-OG 3.31Å
499	F	62.5	Low	58.8	Low	57 Å²	57	92 Å²	92	25%	0.25	48%	0.479	C	S	.	.	H	α-helix	trans	-63.8	-36.4	179.3	-172.2	-103	0	0	0	113.2	R450 V453 I454 L495 K497 N503	R450-F499 HydrophobicContact CG-CZ 4.17Å; V453-F499 HydrophobicContact CG1-CE2 3.98Å; V453-F499 HydrophobicContact CG1-CZ 4.22Å; I454-F499 HydrophobicContact CD1-CE1 4.16Å; I454-F499 HydrophobicContact CG1-CE1 3.9Å; I454-F499 HydrophobicContact CG1-CZ 4.4Å; L495-F499 WeakPolarHBondContact O-CB 3.23Å; L495-F499 PolarHBondContact O-N 2.57Å; K497-F499 VanDerWaalsContact C-N 3.29Å; K497-F499 PolarHBondContact O-N 3.25Å; F499-N503 PolarHBondContact O-ND2 2.97Å; F499-N503 VanDerWaalsContact O-ND2 3.1Å
500	N	60.5	Low	57.5	Low	90 Å²	90	94.4 Å²	94.4	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-78.1	-37	176.8	-79.2	-60.5	0	0	0	113.4	I496 K497 I498	I496-N500 WeakPolarHBondContact O-CB 3.4Å; I496-N500 PolarHBondContact O-N 2.96Å; I496-N500 PolarHBondContact O-ND2 3.26Å; K497-N500 PolarHBondContact O-N 3.32Å; K497-N500 VanDerWaalsContact O-N 3.13Å; I498-N500 VanDerWaalsContact C-N 3.34Å; I498-N500 PolarHBondContact O-N 3.02Å
501	E	55.9	Low	56.2	Low	110 Å²	110	96 Å²	96	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-75.5	-39.6	-179.7	-71.8	179.3	159	0	0	112.1	K497 I498 N503 K504	K497-E501 WeakPolarHBondContact CE-OE1 3.19Å; K497-E501 WeakPolarHBondContact CE-OE2 3.21Å; K497-E501 HydrophobicContact CG-CG 4.27Å; K497-E501 IonicContact NZ-OE1 3.41Å; K497-E501 WeakPolarHBondContact O-CG 3.4Å; K497-E501 PolarHBondContact O-N 3.33Å; I498-E501 PolarHBondContact O-N 3.35Å; E501-N503 PolarHBondContact O-N 2.9Å; E501-K504 PolarHBondContact O-N 3.34Å; E501-K504 VanDerWaalsContact O-N 3.13Å
502	S	52.6	Low	55.1	Low	71 Å²	71	97.1 Å²	97.1	50%	0.497	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.9	-179.6	-58.5	0	0	0	0	114.6	I498	I498-S502 VanDerWaalsContact O-CB 3.25Å; I498-S502 WeakPolarHBondContact O-CB 3.5Å; I498-S502 PolarHBondContact O-N 2.65Å; I498-S502 PolarHBondContact O-OG 3.31Å
503	N	48.6	Very low	53.9	Low	107 Å²	107	98.7 Å²	98.7	57%	0.572	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	16	-177.8	-69.4	-71.3	0	0	0	113.6	F499 E501	F499-N503 PolarHBondContact O-ND2 2.97Å; F499-N503 VanDerWaalsContact O-ND2 3.1Å; E501-N503 PolarHBondContact O-N 2.9Å
504	K	43.8	Very low	52.7	Low	172 Å²	172	103.7 Å²	103.7	75%	0.748	53%	0.525	S	S	*	.			trans	-99.5	-4.4	170.6	-86	-171.2	174.9	-178.9	0	114.8	E501 T506	E501-K504 PolarHBondContact O-N 3.34Å; E501-K504 VanDerWaalsContact O-N 3.13Å; K504-T506 PolarHBondContact O-N 2.75Å; K504-T506 VanDerWaalsContact O-N 3.15Å
505	I	38.8	Very low	52.1	Low	120 Å²	120	107.9 Å²	107.9	62%	0.615	54%	0.535	S	S	*	.			trans	-67.6	110.4	172	-56.1	173.3	0	0	0	108	L510	I505-L510 HydrophobicContact CG2-CD1 4.23Å; I505-L510 HydrophobicContact CG2-CG 4.24Å
506	T	42.8	Very low	51.1	Low	67 Å²	67	109.7 Å²	109.7	41%	0.411	54%	0.541	S	S	.	.			trans	-90.8	166.2	173.4	72.7	0	0	0	0	110.5	K504 E508 D509 L510	K504-T506 PolarHBondContact O-N 2.75Å; K504-T506 VanDerWaalsContact O-N 3.15Å; T506-E508 PolarHBondContact O-N 3.3Å; T506-E508 PolarHBondContact OG1-N 3.3Å; T506-D509 WeakPolarHBondContact CA-OD2 3.03Å; T506-D509 WeakPolarHBondContact CB-OD2 3.15Å; T506-D509 PolarHBondContact N-OD2 3.11Å; T506-D509 PolarHBondContact O-N 3.17Å; T506-D509 PolarHBondContact OG1-OD2 3.12Å; T506-L510 PolarHBondContact O-N 2.83Å
507	N	42.1	Very low	49.9	Very low	134 Å²	134	110.2 Å²	110.2	72%	0.717	55%	0.55	S	S	*	*	H	α-helix	trans	-63.7	-24.5	173.4	-78.9	-4.9	0	0	0	112.4	L510 E511	N507-L510 PolarHBondContact O-N 3.4Å; N507-E511 WeakPolarHBondContact O-CB 3.46Å; N507-E511 PolarHBondContact O-N 2.89Å
508	E	46	Very low	48.8	Very low	156 Å²	156	107.6 Å²	107.6	73%	0.729	55%	0.547	S	S	*	.	H	α-helix	trans	-68.2	-38.4	178.2	-59.1	-179.1	179.3	0	0	110.9	T506 E511 H512	T506-E508 PolarHBondContact O-N 3.3Å; T506-E508 PolarHBondContact OG1-N 3.3Å; E508-E511 PolarHBondContact O-N 2.97Å; E508-H512 WeakPolarHBondContact O-CB 3.44Å; E508-H512 PolarHBondContact O-N 3.06Å
509	D	46.3	Very low	47.9	Very low	88 Å²	88	106.4 Å²	106.4	47%	0.471	54%	0.542	S	S	.	.	H	α-helix	trans	-64.5	-41.6	174.5	-53.9	-72.6	0	0	0	111.6	T506 A513	T506-D509 WeakPolarHBondContact CA-OD2 3.03Å; T506-D509 WeakPolarHBondContact CB-OD2 3.15Å; T506-D509 PolarHBondContact N-OD2 3.11Å; T506-D509 PolarHBondContact O-N 3.17Å; T506-D509 PolarHBondContact OG1-OD2 3.12Å; D509-A513 WeakPolarHBondContact O-CB 3.39Å; D509-A513 PolarHBondContact O-N 2.8Å
510	L	44.5	Very low	46.9	Very low	99 Å²	99	110.1 Å²	110.1	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-67.3	-41.7	176.5	-91.6	163.5	0	0	0	112.3	I505 T506 N507 A513 Y514	I505-L510 HydrophobicContact CG2-CD1 4.23Å; I505-L510 HydrophobicContact CG2-CG 4.24Å; T506-L510 PolarHBondContact O-N 2.83Å; N507-L510 PolarHBondContact O-N 3.4Å; L510-A513 PolarHBondContact O-N 3.44Å; L510-Y514 WeakPolarHBondContact O-CB 3.25Å; L510-Y514 PolarHBondContact O-N 3.49Å
511	E	47.5	Very low	45.7	Very low	147 Å²	147	111.7 Å²	111.7	69%	0.687	57%	0.566	S	S	*	*	H	α-helix	trans	-68.2	-36.8	177.7	-167.7	161.4	-140.8	0	0	111.2	N507 E508 Y514 K515	N507-E511 WeakPolarHBondContact O-CB 3.46Å; N507-E511 PolarHBondContact O-N 2.89Å; E508-E511 PolarHBondContact O-N 2.97Å; E511-Y514 PolarHBondContact O-N 3.32Å; E511-K515 VanDerWaalsContact O-CB 3.25Å; E511-K515 WeakPolarHBondContact O-CB 3.13Å; E511-K515 PolarHBondContact O-N 3.47Å
512	H	47.4	Very low	44.9	Very low	125 Å²	125	109.6 Å²	109.6	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-63.2	-45.6	170.9	-168.8	-73.9	0	0	0	112.2	E508 Y514 K515 Q516	E508-H512 WeakPolarHBondContact O-CB 3.44Å; E508-H512 PolarHBondContact O-N 3.06Å; H512-Y514 VanDerWaalsContact C-N 3.34Å; H512-Y514 PolarHBondContact O-N 3.01Å; H512-K515 WeakPolarHBondContact O-CB 3.41Å; H512-K515 PolarHBondContact O-N 2.83Å; H512-Q516 WeakPolarHBondContact O-CB 3.35Å; H512-Q516 PolarHBondContact O-N 2.7Å
513	A	45.6	Very low	43.9	Very low	48 Å²	48	113.8 Å²	113.8	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-39.1	176.9	0	0	0	0	0	112.4	D509 L510 S517	D509-A513 WeakPolarHBondContact O-CB 3.39Å; D509-A513 PolarHBondContact O-N 2.8Å; L510-A513 PolarHBondContact O-N 3.44Å; A513-S517 WeakPolarHBondContact O-CB 3.43Å; A513-S517 PolarHBondContact O-N 2.87Å; A513-S517 PolarHBondContact O-OG 2.88Å
514	Y	46.4	Very low	43.2	Very low	190 Å²	190	116.4 Å²	116.4	75%	0.745	59%	0.586	S	S	*	*	H	α-helix	trans	-68	-39	175.7	-141	-82.8	0	0	0	111.9	L510 E511 H512 S517 S518	L510-Y514 WeakPolarHBondContact O-CB 3.25Å; L510-Y514 PolarHBondContact O-N 3.49Å; E511-Y514 PolarHBondContact O-N 3.32Å; H512-Y514 VanDerWaalsContact C-N 3.34Å; H512-Y514 PolarHBondContact O-N 3.01Å; Y514-S517 PolarHBondContact O-N 2.98Å; Y514-S518 WeakPolarHBondContact O-CB 2.84Å; Y514-S518 PolarHBondContact O-N 3.19Å
515	K	56.3	Low	42.6	Very low	117 Å²	117	116.9 Å²	116.9	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-60.8	-50.3	174.9	-176.5	62.1	-179	133.3	0	111.2	E511 H512 S517 S518 D519	E511-K515 VanDerWaalsContact O-CB 3.25Å; E511-K515 WeakPolarHBondContact O-CB 3.13Å; E511-K515 PolarHBondContact O-N 3.47Å; H512-K515 WeakPolarHBondContact O-CB 3.41Å; H512-K515 PolarHBondContact O-N 2.83Å; K515-S517 VanDerWaalsContact C-N 3.3Å; K515-S517 PolarHBondContact O-N 3.2Å; K515-S518 WeakPolarHBondContact O-CB 3.45Å; K515-S518 PolarHBondContact O-N 2.9Å; K515-S518 VanDerWaalsContact O-N 3.09Å; K515-D519 WeakPolarHBondContact CE-OD2 3.33Å; K515-D519 IonicContact NZ-OD1 3.79Å; K515-D519 PolarHBondContact NZ-OD1 3.44Å; K515-D519 IonicContact NZ-OD2 3.05Å; K515-D519 PolarHBondContact NZ-OD2 3.44Å; K515-D519 VanDerWaalsContact NZ-OD2 3.14Å; K515-D519 VanDerWaalsContact O-CG 3.3Å; K515-D519 PolarHBondContact O-N 2.86Å
516	Q	47.8	Very low	42.2	Very low	126 Å²	126	115.1 Å²	115.1	59%	0.589	59%	0.589	S	S	*	*	H	α-helix	trans	-61.9	-36.9	178.5	-162	168.4	11.9	0	0	112.2	H512 F520	H512-Q516 WeakPolarHBondContact O-CB 3.35Å; H512-Q516 PolarHBondContact O-N 2.7Å; Q516-F520 WeakPolarHBondContact O-CB 3.26Å; Q516-F520 PolarHBondContact O-N 2.99Å; Q516-F520 VanDerWaalsContact O-N 3.14Å
517	S	43.4	Very low	41.4	Very low	69 Å²	69	119.5 Å²	119.5	48%	0.483	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-37.1	173.2	-56	0	0	0	0	112.9	A513 Y514 K515 L521	A513-S517 WeakPolarHBondContact O-CB 3.43Å; A513-S517 PolarHBondContact O-N 2.87Å; A513-S517 PolarHBondContact O-OG 2.88Å; Y514-S517 PolarHBondContact O-N 2.98Å; K515-S517 VanDerWaalsContact C-N 3.3Å; K515-S517 PolarHBondContact O-N 3.2Å; S517-L521 WeakPolarHBondContact O-CG 3.48Å; S517-L521 PolarHBondContact O-N 3.34Å
518	S	43.9	Very low	40.5	Very low	65 Å²	65	118.5 Å²	118.5	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-71.6	-37.8	177.7	-174.4	0	0	0	0	112.5	Y514 K515 L521 A522	Y514-S518 WeakPolarHBondContact O-CB 2.84Å; Y514-S518 PolarHBondContact O-N 3.19Å; K515-S518 WeakPolarHBondContact O-CB 3.45Å; K515-S518 PolarHBondContact O-N 2.9Å; K515-S518 VanDerWaalsContact O-N 3.09Å; S518-L521 PolarHBondContact O-N 2.72Å; S518-A522 PolarHBondContact O-N 2.61Å
519	D	42.6	Very low	39.4	Very low	77 Å²	77	117.1 Å²	117.1	41%	0.412	62%	0.616	S	S	.	*	H	α-helix	trans	-72.1	-37.8	-179.9	-63.7	-23.4	0	0	0	110	K515 L521 A522 E523	K515-D519 WeakPolarHBondContact CE-OD2 3.33Å; K515-D519 IonicContact NZ-OD1 3.79Å; K515-D519 PolarHBondContact NZ-OD1 3.44Å; K515-D519 IonicContact NZ-OD2 3.05Å; K515-D519 PolarHBondContact NZ-OD2 3.44Å; K515-D519 VanDerWaalsContact NZ-OD2 3.14Å; K515-D519 VanDerWaalsContact O-CG 3.3Å; K515-D519 PolarHBondContact O-N 2.86Å; D519-L521 VanDerWaalsContact C-N 3.33Å; D519-L521 PolarHBondContact O-N 3.29Å; D519-A522 WeakPolarHBondContact O-CB 3.48Å; D519-A522 PolarHBondContact O-N 3.09Å; D519-A522 VanDerWaalsContact O-N 3.13Å; D519-E523 PolarHBondContact O-N 2.76Å
520	F	41.2	Very low	38.3	Very low	134 Å²	134	118 Å²	118	59%	0.588	63%	0.627	S	S	*	*	H	α-helix	trans	-59.7	-36.6	170.6	-176.6	-99.4	0	0	0	113.7	Q516 A522 F524	Q516-F520 WeakPolarHBondContact O-CB 3.26Å; Q516-F520 PolarHBondContact O-N 2.99Å; Q516-F520 VanDerWaalsContact O-N 3.14Å; F520-A522 VanDerWaalsContact C-N 3.34Å; F520-F524 HydrophobicContact CE1-CD2 4.43Å; F520-F524 HydrophobicContact CE1-CE2 4.46Å; F520-F524 HydrophobicContact CE2-CE2 4.43Å; F520-F524 HydrophobicContact CZ-CD2 4.31Å; F520-F524 AromaticContact CZ-CE2 3.99Å; F520-F524 HydrophobicContact CZ-CE2 3.99Å
521	L	37.2	Very low	37.3	Very low	123 Å²	123	121.8 Å²	121.8	64%	0.644	64%	0.64	S	S	*	*	H	α-helix	trans	-74.5	-20.9	175.9	-77.7	169.4	0	0	0	113.8	S517 S518 D519	S517-L521 WeakPolarHBondContact O-CG 3.48Å; S517-L521 PolarHBondContact O-N 3.34Å; S518-L521 PolarHBondContact O-N 2.72Å; D519-L521 VanDerWaalsContact C-N 3.33Å; D519-L521 PolarHBondContact O-N 3.29Å
522	A	37.4	Very low	36.1	Very low	67 Å²	67	121.8 Å²	121.8	55%	0.554	65%	0.645	S	S	*	*	H	α-helix	trans	-77.8	-37.9	178	0	0	0	0	0	112.2	S518 D519 F520 F524	S518-A522 PolarHBondContact O-N 2.61Å; D519-A522 WeakPolarHBondContact O-CB 3.48Å; D519-A522 PolarHBondContact O-N 3.09Å; D519-A522 VanDerWaalsContact O-N 3.13Å; F520-A522 VanDerWaalsContact C-N 3.34Å; A522-F524 VanDerWaalsContact C-N 3.32Å; A522-F524 PolarHBondContact O-N 2.99Å
523	E	32.7	Very low	35.2	Very low	158 Å²	158	120.5 Å²	120.5	74%	0.738	66%	0.656	S	S	*	*	H	α-helix	trans	-71.8	-26.4	-176.5	-154.5	156.4	-132.9	0	0	112.4	D519 Q525 S526	D519-E523 PolarHBondContact O-N 2.76Å; E523-Q525 VanDerWaalsContact C-N 3.25Å; E523-Q525 PolarHBondContact O-N 2.68Å; E523-S526 PolarHBondContact O-N 3.31Å
524	F	34.5	Very low	34.2	Very low	162 Å²	162	127.6 Å²	127.6	71%	0.711	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	0.6	179.8	-111.7	-81.5	0	0	0	116.1	F520 A522	F520-F524 HydrophobicContact CE1-CD2 4.43Å; F520-F524 HydrophobicContact CE1-CE2 4.46Å; F520-F524 HydrophobicContact CE2-CE2 4.43Å; F520-F524 HydrophobicContact CZ-CD2 4.31Å; F520-F524 AromaticContact CZ-CE2 3.99Å; F520-F524 HydrophobicContact CZ-CE2 3.99Å; A522-F524 VanDerWaalsContact C-N 3.32Å; A522-F524 PolarHBondContact O-N 2.99Å
525	Q	31.2	Very low	33.3	Very low	182 Å²	182	127.3 Å²	127.3	85%	0.85	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	3.7	175.5	-67.5	-161.1	-13.9	0	0	114.4	E523	E523-Q525 VanDerWaalsContact C-N 3.25Å; E523-Q525 PolarHBondContact O-N 2.68Å
526	S	29.2	Very low	32	Very low	83 Å²	83	127.5 Å²	127.5	58%	0.58	70%	0.697	S	S	*	*	S	Bend	trans	-143.6	75.6	176.4	60.6	0	0	0	0	113.4	E523	E523-S526 PolarHBondContact O-N 3.31Å
527	D	26.6	Very low	31.1	Very low	159 Å²	159	127.6 Å²	127.6	85%	0.85	71%	0.706	S	S	*	*				-167.4	152.8	114.6	-100.1	-24.9	0	0	0	112.8
528	S	22.7	Very low	30.5	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	72%	0.719	S	S	*	*			trans	-135.5	69.1	-171.8	56.8	0	0	0	0	113.4
529	T	23.2	Very low	29.9	Very low	126 Å²	126	137.4 Å²	137.4	77%	0.773	73%	0.734	S	S	*	*			trans	-142.5	108.9	172.5	44.9	0	0	0	0	114.3
530	C	23.9	Very low	29.2	Very low	106 Å²	106	140 Å²	140	72%	0.716	75%	0.753	S	S	*	*				56.1	100.3	116.7	-167.5	0	0	0	0	120.2
531	F	22.2	Very low	28.7	Very low	180 Å²	180	137.9 Å²	137.9	79%	0.789	76%	0.76	S	S	*	*			trans	75.2	136.6	143.5	-80.6	-110.1	0	0	0	121.5
532	D	23.6	Very low	28	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	76%	0.762	S	S	*	*			trans	54.7	85.6	146.3	-56	-1.5	0	0	0	120.7
533	A	27.7	Very low	27.5	Very low	98 Å²	98	142.4 Å²	142.4	81%	0.81	78%	0.775	S	S	*	*			trans	-154.7	88.9	141.6	0	0	0	0	0	111.2
534	E	24.7	Very low	27.2	Very low	198 Å²	198	142.7 Å²	142.7	93%	0.925	78%	0.78	S	S	*	*			trans	-66.1	169.5	153.5	-65	-179.6	122.9	0	0	109.5
535	E	26.7	Very low	26.6	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	79%	0.786	S	S	*	*	S	Bend	trans	85.8	40.6	178.4	-144.9	-165.7	167.9	0	0	119.1
536	V	29.5	Very low	26.4	Very low	121 Å²	121	141.2 Å²	141.2	73%	0.733	78%	0.784	S	S	*	*	S	Bend	trans	-132.6	-32.7	157.4	-172.2	0	0	0	0	114.2	E538	V536-E538 PolarHBondContact O-N 3.22Å; V536-E538 VanDerWaalsContact O-N 3.14Å
537	V	29.8	Very low	26.1	Very low	128 Å²	128	145.7 Å²	145.7	78%	0.776	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-64.5	-22.9	-170	-177.8	0	0	0	0	114.2	K539	V537-K539 PolarHBondContact O-N 3.37Å; V537-K539 VanDerWaalsContact O-N 3.08Å
538	E	31.1	Very low	26.1	Very low	163 Å²	163	146.5 Å²	146.5	76%	0.762	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-71.5	-2	-173.5	-150.5	179.7	-147.8	0	0	115	V536	V536-E538 PolarHBondContact O-N 3.22Å; V536-E538 VanDerWaalsContact O-N 3.14Å
539	K	29.5	Very low	26	Very low	176 Å²	176	147.1 Å²	147.1	77%	0.765	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-118.8	7.6	-170.9	-79.4	173.2	-178.4	154.8	0	117.4	V537	V537-K539 PolarHBondContact O-N 3.37Å; V537-K539 VanDerWaalsContact O-N 3.08Å
540	T	29.2	Very low	26.1	Very low	133 Å²	133	146.8 Å²	146.8	82%	0.816	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	-3.3	175	41.4	0	0	0	0	115.6
541	A	29.3	Very low	26.2	Very low	88 Å²	88	147.8 Å²	147.8	73%	0.727	79%	0.788	S	S	*	*	S	Bend	trans	-88	-20.7	173.3	0	0	0	0	0	114	N543	A541-N543 PolarHBondContact O-N 2.92Å; A541-N543 VanDerWaalsContact O-N 3.1Å
542	L	24.1	Very low	26.4	Very low	133 Å²	133	146.1 Å²	146.1	70%	0.696	79%	0.788	S	S	*	*			trans	-87.3	70.1	-177.5	-73.4	171.4	0	0	0	112.1
543	N	25.7	Very low	26.7	Very low	153 Å²	153	146.6 Å²	146.6	82%	0.818	79%	0.79	S	S	*	*			trans	-154.6	47.2	169	-127.8	-7.8	0	0	0	114.8	A541	A541-N543 PolarHBondContact O-N 2.92Å; A541-N543 VanDerWaalsContact O-N 3.1Å
544	I	27.7	Very low	26.6	Very low	163 Å²	163	146.6 Å²	146.6	84%	0.836	79%	0.79	S	S	*	*			trans	-149.4	85.9	147.5	-85.8	128.4	0	0	0	106.4
545	H	21.8	Very low	26.8	Very low	180 Å²	180	143.2 Å²	143.2	83%	0.833	78%	0.779	S	S	*	*			trans	-146.7	92	165.2	-99.7	-58.1	0	0	0	107.4
546	T	27.1	Very low	26.9	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	78%	0.777	S	S	*	*			trans	-137.9	123.2	165.1	39.7	0	0	0	0	107.6
547	E	21.9	Very low	26.8	Very low	177 Å²	177	142.3 Å²	142.3	83%	0.827	78%	0.782	S	S	*	*			trans	-66.9	139.2	-176.8	-53.6	120.9	138	0	0	111.4
548	I	26.9	Very low	26.6	Very low	175 Å²	175	140.6 Å²	140.6	90%	0.897	78%	0.776	S	S	*	*			trans	-129.8	91.7	133	-60	-173.8	0	0	0	106.2
549	D	20.7	Very low	26.6	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	78%	0.777	S	S	*	*			trans	-77.1	-168.7	161.8	-167.4	1	0	0	0	109
550	V	25.1	Very low	26.6	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	78%	0.776	S	S	*	*			trans	84.4	78.9	176.9	-164.7	0	0	0	0	114.8
551	N	25.5	Very low	26.4	Very low	126 Å²	126	137 Å²	137	67%	0.674	77%	0.773	S	S	*	*				53.4	149.3	117.1	-66.7	-56.9	0	0	0	122
552	N	26.8	Very low	26.4	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	77%	0.773	S	S	*	*			trans	70.9	62.3	154.7	-59.1	-23.8	0	0	0	118.9
553	N	29.9	Very low	26.4	Very low	156 Å²	156	137.9 Å²	137.9	83%	0.834	77%	0.773	S	S	*	*				-155.2	92.8	115.3	-117.1	-44.1	0	0	0	114.2	N555	N553-N555 PolarHBondContact O-N 3.46Å; N553-N555 VanDerWaalsContact O-N 3.15Å
554	A	26.7	Very low	26.5	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	78%	0.776	S	S	*	*			trans	-82.5	82.1	169.7	0	0	0	0	0	110.7
555	N	27.3	Very low	26.4	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	77%	0.773	S	S	*	*	S	Bend	trans	-155.5	141.9	156.5	-100.6	-43	0	0	0	112.2	N553 I557	N553-N555 PolarHBondContact O-N 3.46Å; N553-N555 VanDerWaalsContact O-N 3.15Å; N555-I557 VanDerWaalsContact C-N 3.33Å; N555-I557 PolarHBondContact O-N 3.2Å; N555-I557 VanDerWaalsContact O-N 3.08Å
556	C	28.6	Very low	26.7	Very low	122 Å²	122	136.9 Å²	136.9	82%	0.824	78%	0.776	S	S	*	*	S	Bend	trans	64.5	-8.2	170.9	-61.3	0	0	0	0	120.7	S558	C556-S558 PolarHBondContact O-N 2.83Å
557	I	28	Very low	26.8	Very low	163 Å²	163	135.1 Å²	135.1	84%	0.836	78%	0.775	S	S	*	*			trans	-101.4	51.8	176.6	-39.7	-176.6	0	0	0	112.7	N555	N555-I557 VanDerWaalsContact C-N 3.33Å; N555-I557 PolarHBondContact O-N 3.2Å; N555-I557 VanDerWaalsContact O-N 3.08Å
558	S	26.5	Very low	27.1	Very low	92 Å²	92	135.8 Å²	135.8	64%	0.643	78%	0.778	S	S	*	*	S	Bend	trans	-122.9	1.2	177.1	55.2	0	0	0	0	115	C556	C556-S558 PolarHBondContact O-N 2.83Å
559	N	30.1	Very low	27.4	Very low	146 Å²	146	132.6 Å²	132.6	78%	0.781	77%	0.769	S	S	*	*	S	Bend	trans	-123.6	15.8	-173.8	-85.5	-23.2	0	0	0	114.9
560	L	29.1	Very low	28	Very low	143 Å²	143	133.9 Å²	133.9	75%	0.749	77%	0.771	S	S	*	*	S	Bend	trans	-127.8	14.6	-177	-146.7	70.3	0	0	0	115.8
561	S	25.7	Very low	28.5	Very low	109 Å²	109	136 Å²	136	76%	0.762	78%	0.778	S	S	*	*	S	Bend	trans	-91.7	-5.6	169.2	52.7	0	0	0	0	113.7
562	S	28.6	Very low	29.2	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	77%	0.772	S	S	*	*			trans	-99	20.5	-173.1	-49.2	0	0	0	0	115.2
563	I	25.6	Very low	30.6	Very low	133 Å²	133	129.5 Å²	129.5	68%	0.682	75%	0.746	S	S	*	*			trans	-117.7	71.9	172.6	-49.1	-177.5	0	0	0	110.2
564	K	27.7	Very low	31.8	Very low	203 Å²	203	131.9 Å²	131.9	88%	0.883	74%	0.743	S	S	*	*			trans	-120.9	121.6	149	-86.1	-172.8	174.1	179.2	0	108.2
565	T	24.9	Very low	33.6	Very low	126 Å²	126	134.9 Å²	134.9	77%	0.773	73%	0.733	S	S	*	*			trans	-87.7	130.5	-169.3	47.9	0	0	0	0	112.8
566	T	27.8	Very low	35.8	Very low	146 Å²	146	128.8 Å²	128.8	90%	0.896	70%	0.701	S	S	*	*			trans	-132.9	99.9	152.4	12.7	0	0	0	0	108.4
567	A	29.6	Very low	37.9	Very low	98 Å²	98	125 Å²	125	81%	0.81	68%	0.675	S	S	*	*			trans	-89.9	119.5	-175	0	0	0	0	0	111.6
568	Q	28.1	Very low	40.2	Very low	190 Å²	190	120.6 Å²	120.6	89%	0.888	65%	0.652	S	S	*	*			trans	-138.7	153.5	157.7	-72.4	-157.7	5.9	0	0	110.8
569	P	34.2	Very low	42.8	Very low	109 Å²	109	117.3 Å²	117.3	71%	0.708	63%	0.627	S	S	*	*			trans	-122.1	142.2	-146.1	37.5	-23.6	0	0	0	117
570	Q	33.3	Very low	45.2	Very low	154 Å²	154	114.6 Å²	114.6	72%	0.72	61%	0.605	S	S	*	*			trans	55.1	118.8	135.1	-65.4	-71	-13.3	0	0	120.5	V572	Q570-V572 PolarHBondContact O-N 2.8Å
571	L	33.9	Very low	47.6	Very low	165 Å²	165	110.5 Å²	110.5	86%	0.864	59%	0.593	S	S	*	*			trans	30.8	83.9	144.7	-76.4	164.5	0	0	0	116.1	D573	L571-D573 PolarHBondContact O-N 2.96Å; L571-D573 VanDerWaalsContact O-N 3.11Å
572	V	40.6	Very low	50.4	Low	92 Å²	92	110.9 Å²	110.9	56%	0.558	58%	0.577	S	S	*	*			trans	-74	106.9	-173.5	-164.2	0	0	0	0	111.4	Q570 R574 S577 R580	Q570-V572 PolarHBondContact O-N 2.8Å; V572-R574 PolarHBondContact O-N 3.29Å; V572-R574 VanDerWaalsContact O-N 3.08Å; V572-S577 WeakPolarHBondContact CG1-OG 3.41Å; V572-R580 VanDerWaalsContact CG1-NH2 3.32Å
573	D	56.7	Low	53.2	Low	43 Å²	43	109.7 Å²	109.7	23%	0.23	56%	0.557	C	S	.	*			trans	-49.7	115.2	172.6	-179.6	-37.6	0	0	0	111.1	L571 W575 G576 S577 W728 K732	L571-D573 PolarHBondContact O-N 2.96Å; L571-D573 VanDerWaalsContact O-N 3.11Å; D573-W575 VanDerWaalsContact C-N 3.3Å; D573-W575 PolarHBondContact O-N 2.9Å; D573-W575 PolarHBondContact OD1-N 3.27Å; D573-G576 WeakPolarHBondContact O-CA 3.46Å; D573-G576 PolarHBondContact O-N 2.9Å; D573-G576 VanDerWaalsContact O-N 3.1Å; D573-G576 PolarHBondContact OD1-N 2.81Å; D573-G576 VanDerWaalsContact OD1-N 3.12Å; D573-S577 PolarHBondContact O-N 3.42Å; D573-W728 HydrophobicContact CB-CZ2 3.76Å; D573-W728 VanDerWaalsContact CG-CZ2 3.48Å; D573-W728 PolarHBondContact OD1-NE1 2.85Å; D573-W728 WeakPolarHBondContact OD2-CZ2 3.28Å; D573-W728 PolarHBondContact OD2-NE1 3.42Å; D573-K732 WeakPolarHBondContact OD2-CD 3.32Å; D573-K732 WeakPolarHBondContact OD2-CE 3.28Å; D573-K732 WeakPolarHBondContact OD2-CG 3.46Å; D573-K732 IonicContact OD2-NZ 3.03Å
574	R	54.1	Low	56.1	Low	206 Å²	206	107.8 Å²	107.8	78%	0.777	55%	0.548	S	S	*	.	H	α-helix	trans	-59.8	-38.5	-173.1	-161.9	179.2	85.7	-167.1	6.3	112.5	V572 S577 E578	V572-R574 PolarHBondContact O-N 3.29Å; V572-R574 VanDerWaalsContact O-N 3.08Å; R574-S577 PolarHBondContact O-N 3.47Å; R574-E578 WeakPolarHBondContact O-CB 3.47Å; R574-E578 PolarHBondContact O-N 2.89Å
575	W	66.4	Low	58.9	Low	160 Å²	160	102 Å²	102	61%	0.606	52%	0.524	S	S	*	.	H	α-helix	trans	-71.5	-36.4	179.7	-133.9	46.4	0	0	0	110.6	D573 E578 L579 W728	D573-W575 VanDerWaalsContact C-N 3.3Å; D573-W575 PolarHBondContact O-N 2.9Å; D573-W575 PolarHBondContact OD1-N 3.27Å; W575-E578 PolarHBondContact O-N 2.99Å; W575-L579 HydrophobicContact CE3-CD1 4.31Å; W575-L579 WeakPolarHBondContact O-CB 3.42Å; W575-L579 WeakPolarHBondContact O-CD1 3.34Å; W575-L579 VanDerWaalsContact O-CG 3.29Å; W575-L579 WeakPolarHBondContact O-CG 3.46Å; W575-L579 PolarHBondContact O-N 2.67Å; W575-W728 HydrophobicContact CE3-CB 4.48Å; W575-W728 AromaticContact CE3-CD1 3.82Å; W575-W728 HydrophobicContact CE3-CG 4.34Å
576	G	72.7	Confident	62	Low	0 Å²	0	96 Å²	96	0%	0	49%	0.487	C	S	.	.	H	α-helix	trans	-60.2	-43	169.3	0	0	0	0	0	113.3	D573 R580	D573-G576 WeakPolarHBondContact O-CA 3.46Å; D573-G576 PolarHBondContact O-N 2.9Å; D573-G576 VanDerWaalsContact O-N 3.1Å; D573-G576 PolarHBondContact OD1-N 2.81Å; D573-G576 VanDerWaalsContact OD1-N 3.12Å; G576-R580 VanDerWaalsContact C-CZ 3.45Å; G576-R580 WeakPolarHBondContact O-CG 3.37Å; G576-R580 PolarHBondContact O-N 3.11Å; G576-R580 PolarHBondContact O-NE 2.89Å
577	S	71.8	Confident	65	Low	41 Å²	41	94 Å²	94	29%	0.287	47%	0.465	S	S	.	.	H	α-helix	trans	-68.5	-42.1	175.5	-81.2	0	0	0	0	112.5	V572 D573 R574 L579 R580 A581	V572-S577 WeakPolarHBondContact CG1-OG 3.41Å; D573-S577 PolarHBondContact O-N 3.42Å; R574-S577 PolarHBondContact O-N 3.47Å; S577-L579 PolarHBondContact O-N 3.02Å; S577-R580 VanDerWaalsContact N-NH2 3.17Å; S577-R580 PolarHBondContact O-N 2.74Å; S577-R580 VanDerWaalsContact O-N 3.13Å; S577-R580 PolarHBondContact OG-NH2 3.1Å; S577-A581 WeakPolarHBondContact O-CB 3.23Å; S577-A581 PolarHBondContact O-N 3.34Å
578	E	76.1	Confident	67.9	Low	72 Å²	72	93.9 Å²	93.9	34%	0.336	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-44	176.2	-155	-166.7	130.3	0	0	111.3	R574 W575 R580 A581 R582	R574-E578 WeakPolarHBondContact O-CB 3.47Å; R574-E578 PolarHBondContact O-N 2.89Å; W575-E578 PolarHBondContact O-N 2.99Å; E578-R580 VanDerWaalsContact C-N 3.33Å; E578-R580 PolarHBondContact O-N 2.87Å; E578-A581 PolarHBondContact O-N 3.02Å; E578-R582 WeakPolarHBondContact O-CB 3.3Å; E578-R582 WeakPolarHBondContact O-CG 3.39Å; E578-R582 PolarHBondContact O-N 3.45Å; E578-R582 IonicContact OE1-CZ 2.81Å; E578-R582 IonicContact OE1-NH1 3.94Å; E578-R582 PolarHBondContact OE1-NH1 3.03Å
579	L	81.1	Confident	70.9	Confident	23 Å²	23	89.7 Å²	89.7	12%	0.12	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-30.4	174.2	-76	162.7	0	0	0	113.3	W575 S577 R583 A724 Y725 W728	W575-L579 HydrophobicContact CE3-CD1 4.31Å; W575-L579 WeakPolarHBondContact O-CB 3.42Å; W575-L579 WeakPolarHBondContact O-CD1 3.34Å; W575-L579 VanDerWaalsContact O-CG 3.29Å; W575-L579 WeakPolarHBondContact O-CG 3.46Å; W575-L579 PolarHBondContact O-N 2.67Å; S577-L579 PolarHBondContact O-N 3.02Å; L579-R583 VanDerWaalsContact O-CD 3.27Å; L579-R583 WeakPolarHBondContact O-CD 3.21Å; L579-R583 WeakPolarHBondContact O-CG 3.48Å; L579-A724 HydrophobicContact CD2-CB 3.86Å; L579-Y725 HydrophobicContact CB-CD2 3.74Å; L579-Y725 HydrophobicContact CD1-CD2 4.46Å; L579-W728 HydrophobicContact CD1-CB 4.05Å; L579-W728 HydrophobicContact CD1-CD2 4.34Å; L579-W728 HydrophobicContact CD1-CG 4.08Å
580	R	81.2	Confident	73.7	Confident	88 Å²	88	85.6 Å²	85.6	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-72.9	-47.1	172.1	-76.3	-179.9	-67.4	-100.5	2.9	111.5	V572 G576 S577 E578 R583 L584 Y725	V572-R580 VanDerWaalsContact CG1-NH2 3.32Å; G576-R580 VanDerWaalsContact C-CZ 3.45Å; G576-R580 WeakPolarHBondContact O-CG 3.37Å; G576-R580 PolarHBondContact O-N 3.11Å; G576-R580 PolarHBondContact O-NE 2.89Å; S577-R580 VanDerWaalsContact N-NH2 3.17Å; S577-R580 PolarHBondContact O-N 2.74Å; S577-R580 VanDerWaalsContact O-N 3.13Å; S577-R580 PolarHBondContact OG-NH2 3.1Å; E578-R580 VanDerWaalsContact C-N 3.33Å; E578-R580 PolarHBondContact O-N 2.87Å; R580-R583 PolarHBondContact O-N 3.03Å; R580-L584 PolarHBondContact O-N 3.16Å; R580-Y725 HydrophobicContact CG-CD2 4.47Å; R580-Y725 HydrophobicContact CG-CE2 3.68Å; R580-Y725 PolarHBondContact NH1-OH 3.07Å
581	A	79.3	Confident	76.4	Confident	58 Å²	58	82 Å²	82	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-47.4	-178.6	0	0	0	0	0	111.6	S577 E578 R583 L584 E585	S577-A581 WeakPolarHBondContact O-CB 3.23Å; S577-A581 PolarHBondContact O-N 3.34Å; E578-A581 PolarHBondContact O-N 3.02Å; A581-R583 PolarHBondContact O-N 3.17Å; A581-L584 PolarHBondContact O-N 3.14Å; A581-L584 VanDerWaalsContact O-N 3.15Å; A581-E585 WeakPolarHBondContact O-CB 3.45Å; A581-E585 PolarHBondContact O-N 3.04Å
582	R	85.5	Confident	79.2	Confident	117 Å²	117	78.2 Å²	78.2	44%	0.442	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-44.7	177.9	-66.3	168.2	92.8	134.4	7.5	111.8	E578 L584 E585 C586	E578-R582 WeakPolarHBondContact O-CB 3.3Å; E578-R582 WeakPolarHBondContact O-CG 3.39Å; E578-R582 PolarHBondContact O-N 3.45Å; E578-R582 IonicContact OE1-CZ 2.81Å; E578-R582 IonicContact OE1-NH1 3.94Å; E578-R582 PolarHBondContact OE1-NH1 3.03Å; R582-L584 VanDerWaalsContact C-N 3.35Å; R582-L584 PolarHBondContact O-N 3.48Å; R582-E585 PolarHBondContact O-N 3.1Å; R582-C586 WeakPolarHBondContact O-CB 3.02Å; R582-C586 PolarHBondContact O-N 3.16Å; R582-C586 PolarHBondContact O-SG 3.21Å
583	R	86.9	Confident	81.7	Confident	79 Å²	79	74.9 Å²	74.9	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-38.5	175	-70.6	172.7	69.6	-123.7	-6.7	112.8	L579 R580 A581 K587 L718 E721 S722	L579-R583 VanDerWaalsContact O-CD 3.27Å; L579-R583 WeakPolarHBondContact O-CD 3.21Å; L579-R583 WeakPolarHBondContact O-CG 3.48Å; R580-R583 PolarHBondContact O-N 3.03Å; A581-R583 PolarHBondContact O-N 3.17Å; R583-K587 PolarHBondContact O-N 3.44Å; R583-K587 VanDerWaalsContact O-N 3.11Å; R583-L718 HydrophobicContact CB-CD1 3.97Å; R583-L718 HydrophobicContact CG-CD1 4.24Å; R583-L718 WeakPolarHBondContact O-CD1 3.42Å; R583-E721 HydrophobicContact CG-CB 3.64Å; R583-E721 PolarHBondContact N-OE2 3.27Å; R583-S722 PolarHBondContact NE-OG 3.4Å; R583-S722 PolarHBondContact NH2-OG 2.86Å
584	L	85.5	Confident	83.4	Confident	94 Å²	94	76.3 Å²	76.3	49%	0.492	35%	0.348	S	S	.	.	H	α-helix	trans	-68.2	-45.6	176.1	-179.1	61.3	0	0	0	111.4	R580 A581 R582 C586 K587 Q588	R580-L584 PolarHBondContact O-N 3.16Å; A581-L584 PolarHBondContact O-N 3.14Å; A581-L584 VanDerWaalsContact O-N 3.15Å; R582-L584 VanDerWaalsContact C-N 3.35Å; R582-L584 PolarHBondContact O-N 3.48Å; L584-C586 VanDerWaalsContact C-N 3.35Å; L584-C586 PolarHBondContact O-N 3.43Å; L584-K587 WeakPolarHBondContact O-CB 3.43Å; L584-K587 PolarHBondContact O-N 3.11Å; L584-K587 VanDerWaalsContact O-N 3.09Å; L584-Q588 HydrophobicContact CD1-CG 4.44Å; L584-Q588 WeakPolarHBondContact O-CG 3.42Å; L584-Q588 PolarHBondContact O-N 3.26Å
585	E	87.6	Confident	85.2	Confident	82 Å²	82	68.5 Å²	68.5	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-41	177.7	-163.5	-163.8	-158.9	0	0	111.3	A581 R582 Q588 R589	A581-E585 WeakPolarHBondContact O-CB 3.45Å; A581-E585 PolarHBondContact O-N 3.04Å; R582-E585 PolarHBondContact O-N 3.1Å; E585-Q588 PolarHBondContact O-N 3.12Å; E585-R589 WeakPolarHBondContact O-CB 3.41Å; E585-R589 VanDerWaalsContact O-CG 3.29Å; E585-R589 WeakPolarHBondContact O-CG 3.44Å; E585-R589 PolarHBondContact O-N 3.38Å; E585-R589 IonicContact OE1-CZ 2.67Å; E585-R589 IonicContact OE1-NH1 3.6Å; E585-R589 IonicContact OE1-NH2 2.66Å; E585-R589 PolarHBondContact OE1-NH2 3.1Å; E585-R589 IonicContact OE2-CZ 2.86Å; E585-R589 IonicContact OE2-NH1 3.21Å; E585-R589 PolarHBondContact OE2-NH1 3.22Å; E585-R589 IonicContact OE2-NH2 2.66Å; E585-R589 PolarHBondContact OE2-NH2 3.08Å
586	C	89.6	Confident	86.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-38.7	171.5	-79	0	0	0	0	113	R582 L584 I590 Q717 L718	R582-C586 WeakPolarHBondContact O-CB 3.02Å; R582-C586 PolarHBondContact O-N 3.16Å; R582-C586 PolarHBondContact O-SG 3.21Å; L584-C586 VanDerWaalsContact C-N 3.35Å; L584-C586 PolarHBondContact O-N 3.43Å; C586-I590 WeakPolarHBondContact O-CD1 3.32Å; C586-I590 VanDerWaalsContact O-CG1 3.31Å; C586-I590 WeakPolarHBondContact O-CG1 3.43Å; C586-I590 PolarHBondContact O-N 3.11Å; C586-Q717 PolarHBondContact SG-NE2 2.79Å; C586-Q717 VanDerWaalsContact SG-NE2 3.37Å; C586-L718 HydrophobicContact CB-CB 4.11Å; C586-L718 HydrophobicContact CB-CD1 4.18Å
587	K	90.7	Very high	87.6	Confident	102 Å²	102	63.6 Å²	63.6	44%	0.443	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-48.2	175.3	-178	174.7	178.9	-71.4	0	111.6	R583 L584 R589 I590 E591	R583-K587 PolarHBondContact O-N 3.44Å; R583-K587 VanDerWaalsContact O-N 3.11Å; L584-K587 WeakPolarHBondContact O-CB 3.43Å; L584-K587 PolarHBondContact O-N 3.11Å; L584-K587 VanDerWaalsContact O-N 3.09Å; K587-R589 VanDerWaalsContact C-N 3.31Å; K587-R589 PolarHBondContact O-N 3.4Å; K587-I590 WeakPolarHBondContact O-CB 3.33Å; K587-I590 PolarHBondContact O-N 3.31Å; K587-I590 VanDerWaalsContact O-N 3.08Å; K587-E591 WeakPolarHBondContact CE-OE1 3.38Å; K587-E591 IonicContact NZ-OE1 2.8Å; K587-E591 PolarHBondContact NZ-OE1 3.38Å; K587-E591 IonicContact NZ-OE2 2.77Å; K587-E591 WeakPolarHBondContact O-CG 3.15Å; K587-E591 PolarHBondContact O-N 3.08Å
588	Q	90.1	Very high	88.5	Confident	96 Å²	96	68.4 Å²	68.4	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-38	176.4	-72.1	171	-23.3	0	0	112.5	L584 E585 E591 T592	L584-Q588 HydrophobicContact CD1-CG 4.44Å; L584-Q588 WeakPolarHBondContact O-CG 3.42Å; L584-Q588 PolarHBondContact O-N 3.26Å; E585-Q588 PolarHBondContact O-N 3.12Å; Q588-E591 PolarHBondContact O-N 3.24Å; Q588-T592 VanDerWaalsContact O-CB 3.31Å; Q588-T592 WeakPolarHBondContact O-CB 3.39Å; Q588-T592 PolarHBondContact O-N 2.97Å; Q588-T592 PolarHBondContact O-OG1 3.43Å
589	R	92.1	Very high	89.2	Confident	102 Å²	102	71.3 Å²	71.3	39%	0.385	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-42.8	172.3	-79.2	177.9	179.2	120.1	9.3	112.3	E585 K587 I593	E585-R589 WeakPolarHBondContact O-CB 3.41Å; E585-R589 VanDerWaalsContact O-CG 3.29Å; E585-R589 WeakPolarHBondContact O-CG 3.44Å; E585-R589 PolarHBondContact O-N 3.38Å; E585-R589 IonicContact OE1-CZ 2.67Å; E585-R589 IonicContact OE1-NH1 3.6Å; E585-R589 IonicContact OE1-NH2 2.66Å; E585-R589 PolarHBondContact OE1-NH2 3.1Å; E585-R589 IonicContact OE2-CZ 2.86Å; E585-R589 IonicContact OE2-NH1 3.21Å; E585-R589 PolarHBondContact OE2-NH1 3.22Å; E585-R589 IonicContact OE2-NH2 2.66Å; E585-R589 PolarHBondContact OE2-NH2 3.08Å; K587-R589 VanDerWaalsContact C-N 3.31Å; K587-R589 PolarHBondContact O-N 3.4Å; R589-I593 WeakPolarHBondContact O-CB 3.27Å; R589-I593 WeakPolarHBondContact O-CD1 3.38Å; R589-I593 WeakPolarHBondContact O-CG1 3.49Å; R589-I593 PolarHBondContact O-N 3.12Å
590	I	92.3	Very high	89.8	Confident	23 Å²	23	72.5 Å²	72.5	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-50.9	176.6	-67	160.9	0	0	0	109.8	C586 K587 T592 I593 E594 M711 A715 L718	C586-I590 WeakPolarHBondContact O-CD1 3.32Å; C586-I590 VanDerWaalsContact O-CG1 3.31Å; C586-I590 WeakPolarHBondContact O-CG1 3.43Å; C586-I590 PolarHBondContact O-N 3.11Å; K587-I590 WeakPolarHBondContact O-CB 3.33Å; K587-I590 PolarHBondContact O-N 3.31Å; K587-I590 VanDerWaalsContact O-N 3.08Å; I590-T592 VanDerWaalsContact C-N 3.3Å; I590-T592 PolarHBondContact O-N 3.39Å; I590-I593 PolarHBondContact O-N 2.94Å; I590-I593 VanDerWaalsContact O-N 3.13Å; I590-E594 HydrophobicContact CG2-CG 4.34Å; I590-E594 WeakPolarHBondContact O-CG 3.25Å; I590-E594 PolarHBondContact O-N 3.38Å; I590-M711 HydrophobicContact CG2-CG 4.15Å; I590-A715 HydrophobicContact CD1-CB 4.19Å; I590-L718 HydrophobicContact CD1-CD2 3.96Å
591	E	90.3	Very high	90.3	Very high	79 Å²	79	71.2 Å²	71.2	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-59.2	-39.7	-179.5	-70.3	165.3	168.7	0	0	112.3	K587 Q588 E594 A595	K587-E591 WeakPolarHBondContact CE-OE1 3.38Å; K587-E591 IonicContact NZ-OE1 2.8Å; K587-E591 PolarHBondContact NZ-OE1 3.38Å; K587-E591 IonicContact NZ-OE2 2.77Å; K587-E591 WeakPolarHBondContact O-CG 3.15Å; K587-E591 PolarHBondContact O-N 3.08Å; Q588-E591 PolarHBondContact O-N 3.24Å; E591-E594 PolarHBondContact O-N 2.97Å; E591-A595 WeakPolarHBondContact O-CB 3.13Å; E591-A595 PolarHBondContact O-N 3.23Å
592	T	93.1	Very high	90.9	Very high	86 Å²	86	73.4 Å²	73.4	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-43.1	175.8	-56.7	0	0	0	0	111.9	Q588 I590 A595 T596	Q588-T592 VanDerWaalsContact O-CB 3.31Å; Q588-T592 WeakPolarHBondContact O-CB 3.39Å; Q588-T592 PolarHBondContact O-N 2.97Å; Q588-T592 PolarHBondContact O-OG1 3.43Å; I590-T592 VanDerWaalsContact C-N 3.3Å; I590-T592 PolarHBondContact O-N 3.39Å; T592-A595 PolarHBondContact O-N 2.95Å; T592-T596 PolarHBondContact O-N 2.99Å; T592-T596 PolarHBondContact O-OG1 3.37Å
593	I	93.7	Very high	91.2	Very high	21 Å²	21	72.7 Å²	72.7	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-40.9	176.2	-68.6	164.1	0	0	0	110.5	R589 I590 T596 I597 L707 M711	R589-I593 WeakPolarHBondContact O-CB 3.27Å; R589-I593 WeakPolarHBondContact O-CD1 3.38Å; R589-I593 WeakPolarHBondContact O-CG1 3.49Å; R589-I593 PolarHBondContact O-N 3.12Å; I590-I593 PolarHBondContact O-N 2.94Å; I590-I593 VanDerWaalsContact O-N 3.13Å; I593-T596 PolarHBondContact O-N 3.34Å; I593-I597 HydrophobicContact CG2-CD1 3.74Å; I593-I597 HydrophobicContact CG2-CG1 4.38Å; I593-I597 WeakPolarHBondContact O-CB 3.24Å; I593-I597 VanDerWaalsContact O-CG1 3.26Å; I593-I597 WeakPolarHBondContact O-CG1 3.33Å; I593-I597 PolarHBondContact O-N 3.39Å; I593-L707 HydrophobicContact CG2-CB 4.2Å; I593-L707 HydrophobicContact CG2-CD2 4.38Å; I593-L707 WeakPolarHBondContact CG2-O 3.42Å; I593-M711 HydrophobicContact CG2-CB 3.83Å; I593-M711 HydrophobicContact CG2-CG 4.25Å
594	E	91.6	Very high	91.4	Very high	74 Å²	74	69.7 Å²	69.7	35%	0.346	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-38.9	174.6	-71.7	178.4	178.1	0	0	112.7	I590 E591 R598 M711	I590-E594 HydrophobicContact CG2-CG 4.34Å; I590-E594 WeakPolarHBondContact O-CG 3.25Å; I590-E594 PolarHBondContact O-N 3.38Å; E591-E594 PolarHBondContact O-N 2.97Å; E594-R598 WeakPolarHBondContact O-CB 3.37Å; E594-R598 WeakPolarHBondContact O-CG 3.43Å; E594-R598 PolarHBondContact O-N 3.26Å; E594-R598 PolarHBondContact O-NE 2.97Å; E594-R598 IonicContact OE2-NH2 3.37Å; E594-M711 HydrophobicContact CG-SD 3.7Å
595	A	92.1	Very high	91.6	Very high	41 Å²	41	69.3 Å²	69.3	34%	0.339	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-44.5	172.8	0	0	0	0	0	111.3	E591 T592 I597 R598 Q599	E591-A595 WeakPolarHBondContact O-CB 3.13Å; E591-A595 PolarHBondContact O-N 3.23Å; T592-A595 PolarHBondContact O-N 2.95Å; A595-I597 PolarHBondContact O-N 2.74Å; A595-R598 PolarHBondContact O-N 2.88Å; A595-Q599 PolarHBondContact O-N 2.88Å
596	T	94.2	Very high	91.6	Very high	43 Å²	43	69.2 Å²	69.2	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-41.1	177.1	-51	0	0	0	0	111.8	T592 I593 Q599 K600 L707	T592-T596 PolarHBondContact O-N 2.99Å; T592-T596 PolarHBondContact O-OG1 3.37Å; I593-T596 PolarHBondContact O-N 3.34Å; T596-Q599 PolarHBondContact O-N 2.71Å; T596-K600 HydrophobicContact CG2-CD 4.46Å; T596-K600 WeakPolarHBondContact O-CG 3.46Å; T596-K600 PolarHBondContact O-N 2.88Å; T596-L707 HydrophobicContact CG2-CD1 3.68Å; T596-L707 HydrophobicContact CG2-CD2 4.43Å
597	I	94	Very high	91.4	Very high	15 Å²	15	71.1 Å²	71.1	8%	0.077	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-43.8	174.7	-72.3	165.4	0	0	0	110.6	I593 A595 K600 N601 I704 L707 K708 M711	I593-I597 HydrophobicContact CG2-CD1 3.74Å; I593-I597 HydrophobicContact CG2-CG1 4.38Å; I593-I597 WeakPolarHBondContact O-CB 3.24Å; I593-I597 VanDerWaalsContact O-CG1 3.26Å; I593-I597 WeakPolarHBondContact O-CG1 3.33Å; I593-I597 PolarHBondContact O-N 3.39Å; A595-I597 PolarHBondContact O-N 2.74Å; I597-K600 PolarHBondContact O-N 2.96Å; I597-N601 WeakPolarHBondContact O-CB 3.5Å; I597-N601 PolarHBondContact O-N 2.86Å; I597-N601 PolarHBondContact O-ND2 2.96Å; I597-I704 HydrophobicContact CG2-CG2 4.42Å; I597-L707 HydrophobicContact CD1-CB 3.94Å; I597-L707 HydrophobicContact CG1-CB 3.68Å; I597-L707 HydrophobicContact CG1-CD1 4.15Å; I597-K708 HydrophobicContact CD1-CG 3.88Å; I597-M711 HydrophobicContact CD1-SD 4.34Å
598	R	92.5	Very high	91.2	Very high	142 Å²	142	68.6 Å²	68.6	54%	0.536	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-49.4	176.1	-79.9	173.6	-80.5	-158.2	-4.1	111.7	E594 A595 K600 N601 V602	E594-R598 WeakPolarHBondContact O-CB 3.37Å; E594-R598 WeakPolarHBondContact O-CG 3.43Å; E594-R598 PolarHBondContact O-N 3.26Å; E594-R598 PolarHBondContact O-NE 2.97Å; E594-R598 IonicContact OE2-NH2 3.37Å; A595-R598 PolarHBondContact O-N 2.88Å; R598-K600 PolarHBondContact O-N 3.27Å; R598-N601 PolarHBondContact O-N 2.64Å; R598-V602 WeakPolarHBondContact O-CG2 3.48Å; R598-V602 PolarHBondContact O-N 2.73Å; R598-V602 VanDerWaalsContact O-N 3.09Å
599	Q	90.7	Very high	90.9	Very high	132 Å²	132	65.9 Å²	65.9	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-59.6	-46.8	176.8	-72.2	176	-15.7	0	0	112.4	A595 T596 N601 V602 L603	A595-Q599 PolarHBondContact O-N 2.88Å; T596-Q599 PolarHBondContact O-N 2.71Å; Q599-N601 PolarHBondContact O-N 2.8Å; Q599-V602 PolarHBondContact O-N 2.57Å; Q599-L603 WeakPolarHBondContact O-CG 3.43Å; Q599-L603 PolarHBondContact O-N 3.11Å
600	K	93.5	Very high	90.3	Very high	49 Å²	49	63.1 Å²	63.1	21%	0.213	35%	0.348	C	S	.	.	H	α-helix	trans	-68.7	-32.1	179.8	-69.4	-170.7	-177.3	-169.6	0	113.3	T596 I597 R598 L604 L700 E703 I704 L707	T596-K600 HydrophobicContact CG2-CD 4.46Å; T596-K600 WeakPolarHBondContact O-CG 3.46Å; T596-K600 PolarHBondContact O-N 2.88Å; I597-K600 PolarHBondContact O-N 2.96Å; R598-K600 PolarHBondContact O-N 3.27Å; K600-L604 VanDerWaalsContact O-CB 3.23Å; K600-L604 WeakPolarHBondContact O-CB 3.38Å; K600-L604 PolarHBondContact O-N 3.1Å; K600-L700 HydrophobicContact CD-CD2 4.49Å; K600-E703 HydrophobicContact CD-CB 4.46Å; K600-E703 IonicContact NZ-OE2 2.69Å; K600-E703 PolarHBondContact NZ-OE2 3.24Å; K600-I704 HydrophobicContact CB-CD1 3.96Å; K600-I704 HydrophobicContact CB-CG1 3.71Å; K600-L707 HydrophobicContact CD-CD1 4.01Å
601	N	91.5	Very high	89.6	Confident	60 Å²	60	63.4 Å²	63.4	32%	0.321	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-45.2	170.8	-70.4	-23.4	0	0	0	111.1	I597 R598 Q599 L603 L604 T605	I597-N601 WeakPolarHBondContact O-CB 3.5Å; I597-N601 PolarHBondContact O-N 2.86Å; I597-N601 PolarHBondContact O-ND2 2.96Å; R598-N601 PolarHBondContact O-N 2.64Å; Q599-N601 PolarHBondContact O-N 2.8Å; N601-L603 PolarHBondContact O-N 3.3Å; N601-L604 PolarHBondContact O-N 2.85Å; N601-T605 PolarHBondContact O-N 3.41Å; N601-T605 PolarHBondContact O-OG1 3.26Å
602	V	91.7	Very high	88.9	Confident	105 Å²	105	66.5 Å²	66.5	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-62	-44.2	178.3	172.1	0	0	0	0	111.4	R598 Q599 T605 S606	R598-V602 WeakPolarHBondContact O-CG2 3.48Å; R598-V602 PolarHBondContact O-N 2.73Å; R598-V602 VanDerWaalsContact O-N 3.09Å; Q599-V602 PolarHBondContact O-N 2.57Å; V602-T605 PolarHBondContact O-N 3.32Å; V602-S606 WeakPolarHBondContact O-CB 3.04Å; V602-S606 PolarHBondContact O-N 3.45Å
603	L	90.6	Very high	87.9	Confident	102 Å²	102	69.5 Å²	69.5	53%	0.534	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-43.5	174.5	-69.5	172.8	0	0	0	112	Q599 N601 S606 L607 L700	Q599-L603 WeakPolarHBondContact O-CG 3.43Å; Q599-L603 PolarHBondContact O-N 3.11Å; N601-L603 PolarHBondContact O-N 3.3Å; L603-S606 PolarHBondContact O-N 3.28Å; L603-L607 WeakPolarHBondContact O-CG 3.11Å; L603-L607 PolarHBondContact O-N 2.65Å; L603-L700 HydrophobicContact CB-CD1 4.43Å
604	L	91.7	Very high	86.7	Confident	16 Å²	16	70.3 Å²	70.3	8%	0.084	39%	0.389	C	S	.	.	H	α-helix	trans	-61.6	-50	177.6	177.5	62.5	0	0	0	111.3	K600 N601 S606 L607 E608 C697 L700 R701 I704	K600-L604 VanDerWaalsContact O-CB 3.23Å; K600-L604 WeakPolarHBondContact O-CB 3.38Å; K600-L604 PolarHBondContact O-N 3.1Å; N601-L604 PolarHBondContact O-N 2.85Å; L604-S606 VanDerWaalsContact C-N 3.3Å; L604-S606 PolarHBondContact O-N 2.98Å; L604-L607 PolarHBondContact O-N 3.1Å; L604-L607 VanDerWaalsContact O-N 3.14Å; L604-E608 HydrophobicContact CD1-CG 4.08Å; L604-E608 WeakPolarHBondContact CD1-OE1 3.48Å; L604-E608 HydrophobicContact CG-CG 4.33Å; L604-E608 WeakPolarHBondContact CG-OE1 3.46Å; L604-E608 WeakPolarHBondContact O-CB 3.23Å; L604-E608 VanDerWaalsContact O-CG 3.26Å; L604-E608 WeakPolarHBondContact O-CG 3.46Å; L604-E608 PolarHBondContact O-N 3.25Å; L604-C697 HydrophobicContact CD1-CB 3.88Å; L604-L700 HydrophobicContact CB-CD1 4.43Å; L604-L700 HydrophobicContact CD1-CB 4.25Å; L604-R701 HydrophobicContact CD1-CG 4.01Å; L604-R701 HydrophobicContact CD2-CG 3.55Å; L604-R701 HydrophobicContact CG-CG 4.45Å; L604-I704 HydrophobicContact CB-CD1 4.43Å; L604-I704 HydrophobicContact CD2-CD1 3.85Å
605	T	89.4	Confident	85.8	Confident	86 Å²	86	69.7 Å²	69.7	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-35	177.5	-59.2	0	0	0	0	112.2	N601 V602 A609	N601-T605 PolarHBondContact O-N 3.41Å; N601-T605 PolarHBondContact O-OG1 3.26Å; V602-T605 PolarHBondContact O-N 3.32Å; T605-A609 WeakPolarHBondContact O-CB 3.42Å; T605-A609 PolarHBondContact O-N 2.95Å
606	S	87.8	Confident	84.9	Confident	80 Å²	80	74.5 Å²	74.5	56%	0.559	40%	0.404	S	S	*	.	H	α-helix	trans	-67.3	-37	174.3	-175	0	0	0	0	112.7	V602 L603 L604 A610	V602-S606 WeakPolarHBondContact O-CB 3.04Å; V602-S606 PolarHBondContact O-N 3.45Å; L603-S606 PolarHBondContact O-N 3.28Å; L604-S606 VanDerWaalsContact C-N 3.3Å; L604-S606 PolarHBondContact O-N 2.98Å; S606-A610 VanDerWaalsContact O-CB 3.31Å; S606-A610 WeakPolarHBondContact O-CB 3.31Å; S606-A610 PolarHBondContact O-N 3.26Å; S606-A610 VanDerWaalsContact O-N 3.14Å
607	L	86.4	Confident	83.7	Confident	39 Å²	39	76.2 Å²	76.2	20%	0.204	42%	0.417	C	S	.	.	H	α-helix	trans	-74.9	-35.6	175.5	-72.4	166.7	0	0	0	112.3	L603 L604 A610 A611 E696 L700	L603-L607 WeakPolarHBondContact O-CG 3.11Å; L603-L607 PolarHBondContact O-N 2.65Å; L604-L607 PolarHBondContact O-N 3.1Å; L604-L607 VanDerWaalsContact O-N 3.14Å; L607-A610 PolarHBondContact O-N 3.13Å; L607-A611 WeakPolarHBondContact O-CB 2.81Å; L607-A611 PolarHBondContact O-N 3.41Å; L607-E696 HydrophobicContact CD1-CG 4.02Å; L607-L700 HydrophobicContact CD1-CD1 3.59Å
608	E	85.6	Confident	82.6	Confident	50 Å²	50	78.8 Å²	78.8	23%	0.234	43%	0.427	C	S	.	.	H	α-helix	trans	-64.2	-49.7	174	-73	167.5	160.9	0	0	110.7	L604 A610 A611 E612 R701	L604-E608 HydrophobicContact CD1-CG 4.08Å; L604-E608 WeakPolarHBondContact CD1-OE1 3.48Å; L604-E608 HydrophobicContact CG-CG 4.33Å; L604-E608 WeakPolarHBondContact CG-OE1 3.46Å; L604-E608 WeakPolarHBondContact O-CB 3.23Å; L604-E608 VanDerWaalsContact O-CG 3.26Å; L604-E608 WeakPolarHBondContact O-CG 3.46Å; L604-E608 PolarHBondContact O-N 3.25Å; E608-A610 VanDerWaalsContact C-N 3.32Å; E608-A610 PolarHBondContact O-N 3.39Å; E608-A611 WeakPolarHBondContact O-CA 3.38Å; E608-A611 WeakPolarHBondContact O-CB 3.2Å; E608-A611 PolarHBondContact O-N 3.38Å; E608-E612 PolarHBondContact O-N 3.35Å; E608-R701 IonicContact OE1-CZ 3.34Å; E608-R701 VanDerWaalsContact OE1-CZ 3.28Å; E608-R701 IonicContact OE1-NE 3.79Å; E608-R701 PolarHBondContact OE1-NE 3.24Å; E608-R701 VanDerWaalsContact OE1-NE 3.1Å; E608-R701 IonicContact OE1-NH2 2.7Å; E608-R701 PolarHBondContact OE1-NH2 2.79Å
609	A	83.6	Confident	81.7	Confident	39 Å²	39	79 Å²	79	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-36.5	175.4	0	0	0	0	0	112.9	T605 A611 E612 Q613	T605-A609 WeakPolarHBondContact O-CB 3.42Å; T605-A609 PolarHBondContact O-N 2.95Å; A609-A611 VanDerWaalsContact C-N 3.32Å; A609-E612 PolarHBondContact O-N 3.15Å; A609-Q613 WeakPolarHBondContact O-CG 3.48Å; A609-Q613 PolarHBondContact O-N 3.38Å; A609-Q613 VanDerWaalsContact O-N 3.13Å
610	A	79.2	Confident	80.9	Confident	44 Å²	44	77.7 Å²	77.7	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-69.9	-28.1	173.8	0	0	0	0	0	113	S606 L607 E608 G614	S606-A610 VanDerWaalsContact O-CB 3.31Å; S606-A610 WeakPolarHBondContact O-CB 3.31Å; S606-A610 PolarHBondContact O-N 3.26Å; S606-A610 VanDerWaalsContact O-N 3.14Å; L607-A610 PolarHBondContact O-N 3.13Å; E608-A610 VanDerWaalsContact C-N 3.32Å; E608-A610 PolarHBondContact O-N 3.39Å; A610-G614 PolarHBondContact O-N 3.24Å
611	A	78	Confident	79.9	Confident	29 Å²	29	77.7 Å²	77.7	24%	0.24	43%	0.427	C	S	.	.	H	α-helix	trans	-73.8	-42.7	172.6	0	0	0	0	0	111.4	L607 E608 A609 G614 D615	L607-A611 WeakPolarHBondContact O-CB 2.81Å; L607-A611 PolarHBondContact O-N 3.41Å; E608-A611 WeakPolarHBondContact O-CA 3.38Å; E608-A611 WeakPolarHBondContact O-CB 3.2Å; E608-A611 PolarHBondContact O-N 3.38Å; A609-A611 VanDerWaalsContact C-N 3.32Å; A611-G614 CarbonylContact O-C 3.58Å; A611-G614 WeakPolarHBondContact O-CA 3.34Å; A611-G614 PolarHBondContact O-N 2.95Å; A611-G614 VanDerWaalsContact O-N 3.14Å; A611-D615 WeakPolarHBondContact O-CB 3.31Å; A611-D615 PolarHBondContact O-N 2.91Å
612	E	75.5	Confident	79	Confident	143 Å²	143	77.8 Å²	77.8	67%	0.668	43%	0.427	S	S	*	.	H	α-helix	trans	-59.9	-47.4	176.5	-71.4	176.7	169.9	0	0	112.1	E608 A609 G614 D615 E616	E608-E612 PolarHBondContact O-N 3.35Å; A609-E612 PolarHBondContact O-N 3.15Å; E612-G614 VanDerWaalsContact C-N 3.28Å; E612-G614 PolarHBondContact O-N 2.72Å; E612-D615 PolarHBondContact O-N 3.33Å; E612-E616 PolarHBondContact O-N 2.78Å; E612-E616 VanDerWaalsContact O-N 3.13Å
613	Q	72	Confident	78.4	Confident	150 Å²	150	78.3 Å²	78.3	70%	0.701	42%	0.421	S	S	*	.	H	α-helix	trans	-62.4	-35.7	173.9	-69.6	178.3	9.1	0	0	112.6	A609	A609-Q613 WeakPolarHBondContact O-CG 3.48Å; A609-Q613 PolarHBondContact O-N 3.38Å; A609-Q613 VanDerWaalsContact O-N 3.13Å
614	G	69.9	Low	77.6	Confident	37 Å²	37	79.6 Å²	79.6	38%	0.381	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-40.3	174.2	0	0	0	0	0	112.6	A610 A611 E612 Y618	A610-G614 PolarHBondContact O-N 3.24Å; A611-G614 CarbonylContact O-C 3.58Å; A611-G614 WeakPolarHBondContact O-CA 3.34Å; A611-G614 PolarHBondContact O-N 2.95Å; A611-G614 VanDerWaalsContact O-N 3.14Å; E612-G614 VanDerWaalsContact C-N 3.28Å; E612-G614 PolarHBondContact O-N 2.72Å; G614-Y618 WeakPolarHBondContact O-CB 3.36Å; G614-Y618 PolarHBondContact O-N 3.11Å
615	D	72.8	Confident	76.5	Confident	62 Å²	62	80.5 Å²	80.5	33%	0.332	43%	0.425	S	S	.	.	H	α-helix	trans	-74.9	-37.1	-175.1	-92.4	7	0	0	0	113.7	A611 E612 Y618 Y619 K690	A611-D615 WeakPolarHBondContact O-CB 3.31Å; A611-D615 PolarHBondContact O-N 2.91Å; E612-D615 PolarHBondContact O-N 3.33Å; D615-Y618 PolarHBondContact O-N 3.13Å; D615-Y619 VanDerWaalsContact O-CB 3.23Å; D615-Y619 WeakPolarHBondContact O-CB 3.36Å; D615-Y619 PolarHBondContact O-N 2.78Å; D615-K690 WeakPolarHBondContact OD1-CD 3.37Å; D615-K690 WeakPolarHBondContact OD1-CE 3.45Å; D615-K690 IonicContact OD1-NZ 2.91Å; D615-K690 PolarHBondContact OD1-NZ 3.35Å; D615-K690 IonicContact OD2-NZ 3.65Å; D615-K690 PolarHBondContact OD2-NZ 2.92Å
616	E	71.4	Confident	75.8	Confident	142 Å²	142	80.6 Å²	80.6	66%	0.664	42%	0.419	S	S	*	.	H	α-helix	trans	-62.9	-46.5	173.1	-175.9	174.3	-150.6	0	0	110.9	E612 Y619 L620	E612-E616 PolarHBondContact O-N 2.78Å; E612-E616 VanDerWaalsContact O-N 3.13Å; E616-Y619 PolarHBondContact O-N 3.15Å; E616-L620 HydrophobicContact CG-CD1 4.31Å; E616-L620 WeakPolarHBondContact O-CG 3.45Å; E616-L620 PolarHBondContact O-N 2.79Å
617	S	69.3	Low	75.3	Confident	79 Å²	79	80 Å²	80	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-61.1	-45	175.4	-174	0	0	0	0	111.8	L621	S617-L621 VanDerWaalsContact O-CB 3.22Å; S617-L621 WeakPolarHBondContact O-CB 3.43Å; S617-L621 PolarHBondContact O-N 3.41Å
618	Y	71.7	Confident	74.7	Confident	69 Å²	69	81.3 Å²	81.3	27%	0.271	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-42	177.7	-179.3	-107.9	0	0	0	112.4	G614 D615 L621 L622 L683	G614-Y618 WeakPolarHBondContact O-CB 3.36Å; G614-Y618 PolarHBondContact O-N 3.11Å; D615-Y618 PolarHBondContact O-N 3.13Å; Y618-L621 PolarHBondContact O-N 2.67Å; Y618-L622 HydrophobicContact CE1-CD1 4.29Å; Y618-L622 HydrophobicContact CE2-CD1 4.26Å; Y618-L622 WeakPolarHBondContact O-CB 3.28Å; Y618-L622 PolarHBondContact O-N 3.49Å; Y618-L683 HydrophobicContact CE2-CD2 4.46Å
619	Y	72.7	Confident	74	Confident	147 Å²	147	82.8 Å²	82.8	58%	0.576	43%	0.429	S	S	*	.	H	α-helix	trans	-65	-45.3	178.4	174.1	-115.1	0	0	0	112.2	D615 E616 L621 L622 K623	D615-Y619 VanDerWaalsContact O-CB 3.23Å; D615-Y619 WeakPolarHBondContact O-CB 3.36Å; D615-Y619 PolarHBondContact O-N 2.78Å; E616-Y619 PolarHBondContact O-N 3.15Å; Y619-L621 VanDerWaalsContact C-N 3.32Å; Y619-L621 PolarHBondContact O-N 3.36Å; Y619-L622 PolarHBondContact O-N 3.32Å; Y619-K623 WeakPolarHBondContact O-CB 3.48Å; Y619-K623 PolarHBondContact O-N 3.35Å
620	L	74.6	Confident	73.8	Confident	103 Å²	103	87.4 Å²	87.4	54%	0.539	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.1	-70.3	172	0	0	0	111.6	E616 K624	E616-L620 HydrophobicContact CG-CD1 4.31Å; E616-L620 WeakPolarHBondContact O-CG 3.45Å; E616-L620 PolarHBondContact O-N 2.79Å; L620-K624 WeakPolarHBondContact O-CB 3.46Å; L620-K624 PolarHBondContact O-N 3.47Å
621	L	72.7	Confident	73.8	Confident	50 Å²	50	90 Å²	90	26%	0.262	44%	0.443	S	S	.	.	H	α-helix	trans	-67.1	-42.7	177.2	-173.1	62.8	0	0	0	112.1	S617 Y618 Y619 K624 Y625 L683 L686	S617-L621 VanDerWaalsContact O-CB 3.22Å; S617-L621 WeakPolarHBondContact O-CB 3.43Å; S617-L621 PolarHBondContact O-N 3.41Å; Y618-L621 PolarHBondContact O-N 2.67Å; Y619-L621 VanDerWaalsContact C-N 3.32Å; Y619-L621 PolarHBondContact O-N 3.36Å; L621-K624 WeakPolarHBondContact O-CB 3.44Å; L621-K624 PolarHBondContact O-N 3.08Å; L621-Y625 HydrophobicContact CD1-CD2 4.08Å; L621-Y625 HydrophobicContact CD1-CE2 3.43Å; L621-Y625 VanDerWaalsContact CD1-CE2 3.43Å; L621-Y625 HydrophobicContact CD2-CE2 4.27Å; L621-Y625 HydrophobicContact CG-CD2 3.98Å; L621-Y625 HydrophobicContact CG-CE2 3.61Å; L621-Y625 WeakPolarHBondContact O-CD2 3.37Å; L621-Y625 PolarHBondContact O-N 2.68Å; L621-L683 HydrophobicContact CD2-CD2 3.81Å; L621-L683 HydrophobicContact CG-CD2 4.21Å; L621-L686 HydrophobicContact CD2-CD1 4.41Å
622	L	71.8	Confident	73.4	Confident	61 Å²	61	91.3 Å²	91.3	32%	0.319	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-50.1	176.7	-152.2	86	0	0	0	110.3	Y618 Y619 K624 Y625 E626	Y618-L622 HydrophobicContact CE1-CD1 4.29Å; Y618-L622 HydrophobicContact CE2-CD1 4.26Å; Y618-L622 WeakPolarHBondContact O-CB 3.28Å; Y618-L622 PolarHBondContact O-N 3.49Å; Y619-L622 PolarHBondContact O-N 3.32Å; L622-K624 VanDerWaalsContact C-N 3.27Å; L622-K624 PolarHBondContact O-N 2.62Å; L622-Y625 CarbonylContact O-C 3.53Å; L622-Y625 PolarHBondContact O-N 3.11Å; L622-E626 WeakPolarHBondContact O-CG 3.44Å; L622-E626 PolarHBondContact O-N 3.16Å
623	K	78.6	Confident	73.2	Confident	117 Å²	117	89.6 Å²	89.6	51%	0.509	44%	0.437	S	S	.	.	H	α-helix	trans	-59.6	-36.1	178	-172.2	176.2	-178.2	178.3	0	112.5	Y619 S627	Y619-K623 WeakPolarHBondContact O-CB 3.48Å; Y619-K623 PolarHBondContact O-N 3.35Å; K623-S627 PolarHBondContact O-N 3.39Å
624	K	75.6	Confident	73.5	Confident	128 Å²	128	85.2 Å²	85.2	56%	0.557	42%	0.423	S	S	*	.	H	α-helix	trans	-63.6	-45.5	172.2	-175.4	179.2	-179.9	179.1	0	111.5	L620 L621 L622 S627 Q628	L620-K624 WeakPolarHBondContact O-CB 3.46Å; L620-K624 PolarHBondContact O-N 3.47Å; L621-K624 WeakPolarHBondContact O-CB 3.44Å; L621-K624 PolarHBondContact O-N 3.08Å; L622-K624 VanDerWaalsContact C-N 3.27Å; L622-K624 PolarHBondContact O-N 2.62Å; K624-S627 WeakPolarHBondContact O-CB 3.43Å; K624-S627 PolarHBondContact O-N 3.32Å; K624-Q628 WeakPolarHBondContact O-CG 3.48Å; K624-Q628 PolarHBondContact O-N 2.98Å
625	Y	67.2	Low	73.7	Confident	35 Å²	35	87.6 Å²	87.6	14%	0.137	42%	0.423	C	S	.	.	H	α-helix	trans	-69.9	-36.7	177.1	-72.5	-57.8	0	0	0	113.1	L621 L622 S627 Q628 I629 Q679 L683	L621-Y625 HydrophobicContact CD1-CD2 4.08Å; L621-Y625 HydrophobicContact CD1-CE2 3.43Å; L621-Y625 VanDerWaalsContact CD1-CE2 3.43Å; L621-Y625 HydrophobicContact CD2-CE2 4.27Å; L621-Y625 HydrophobicContact CG-CD2 3.98Å; L621-Y625 HydrophobicContact CG-CE2 3.61Å; L621-Y625 WeakPolarHBondContact O-CD2 3.37Å; L621-Y625 PolarHBondContact O-N 2.68Å; L622-Y625 CarbonylContact O-C 3.53Å; L622-Y625 PolarHBondContact O-N 3.11Å; Y625-S627 PolarHBondContact O-N 3.41Å; Y625-Q628 VanDerWaalsContact CD1-OE1 3.24Å; Y625-Q628 PolarHBondContact O-N 3.42Å; Y625-I629 WeakPolarHBondContact O-CB 3.33Å; Y625-I629 VanDerWaalsContact O-CG1 3.25Å; Y625-I629 WeakPolarHBondContact O-CG1 3.48Å; Y625-I629 PolarHBondContact O-N 3.16Å; Y625-Q679 HydrophobicContact CE1-CB 3.95Å; Y625-Q679 HydrophobicContact CE1-CG 4.18Å; Y625-Q679 WeakPolarHBondContact OH-CB 3.47Å; Y625-Q679 VanDerWaalsContact OH-CG 3.3Å; Y625-Q679 WeakPolarHBondContact OH-CG 3.37Å; Y625-Q679 PolarHBondContact OH-NE2 3.28Å; Y625-L683 HydrophobicContact CD2-CD1 3.68Å; Y625-L683 HydrophobicContact CD2-CD2 4.21Å; Y625-L683 HydrophobicContact CD2-CG 4.35Å; Y625-L683 HydrophobicContact CE2-CD1 3.92Å; Y625-L683 HydrophobicContact CE2-CD2 4.08Å; Y625-L683 HydrophobicContact CE2-CG 4.18Å; Y625-L683 HydrophobicContact CG-CD1 4.35Å
626	E	74.6	Confident	73.5	Confident	88 Å²	88	88.2 Å²	88.2	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-32.1	170	-66.3	178.8	-175	0	0	112.4	L622 R630	L622-E626 WeakPolarHBondContact O-CG 3.44Å; L622-E626 PolarHBondContact O-N 3.16Å; E626-R630 WeakPolarHBondContact O-CB 3.36Å; E626-R630 WeakPolarHBondContact O-CG 3.17Å; E626-R630 PolarHBondContact O-N 3.48Å; E626-R630 VanDerWaalsContact O-N 3.08Å; E626-R630 PolarHBondContact O-NE 3.04Å; E626-R630 IonicContact OE2-CZ 3.12Å; E626-R630 IonicContact OE2-NH2 2.69Å; E626-R630 PolarHBondContact OE2-NH2 3.19Å
627	S	77.6	Confident	73.9	Confident	68 Å²	68	85.5 Å²	85.5	48%	0.476	42%	0.418	S	S	.	.	H	α-helix	trans	-70.3	-43.7	174	-164.7	0	0	0	0	110.9	K623 K624 Y625 R630 E631	K623-S627 PolarHBondContact O-N 3.39Å; K624-S627 WeakPolarHBondContact O-CB 3.43Å; K624-S627 PolarHBondContact O-N 3.32Å; Y625-S627 PolarHBondContact O-N 3.41Å; S627-R630 PolarHBondContact O-N 3.3Å; S627-E631 VanDerWaalsContact O-CB 3.28Å; S627-E631 WeakPolarHBondContact O-CB 3.4Å; S627-E631 PolarHBondContact O-N 3.44Å
628	Q	74.6	Confident	74.2	Confident	66 Å²	66	84.8 Å²	84.8	31%	0.308	41%	0.408	S	S	.	.	H	α-helix	trans	-67.7	-37.2	177.5	-71.2	-178.7	-33.2	0	0	112.5	K624 Y625 E631 L632	K624-Q628 WeakPolarHBondContact O-CG 3.48Å; K624-Q628 PolarHBondContact O-N 2.98Å; Y625-Q628 VanDerWaalsContact CD1-OE1 3.24Å; Y625-Q628 PolarHBondContact O-N 3.42Å; Q628-E631 PolarHBondContact O-N 3.09Å; Q628-L632 WeakPolarHBondContact O-CB 3.44Å; Q628-L632 VanDerWaalsContact O-CG 3.25Å; Q628-L632 WeakPolarHBondContact O-CG 3.38Å; Q628-L632 PolarHBondContact O-N 3.38Å
629	I	70.3	Confident	74	Confident	81 Å²	81	83.7 Å²	83.7	42%	0.415	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-49.7	174	-70.8	165.5	0	0	0	109.6	Y625 E631 L632 E633	Y625-I629 WeakPolarHBondContact O-CB 3.33Å; Y625-I629 VanDerWaalsContact O-CG1 3.25Å; Y625-I629 WeakPolarHBondContact O-CG1 3.48Å; Y625-I629 PolarHBondContact O-N 3.16Å; I629-E631 VanDerWaalsContact C-N 3.3Å; I629-E631 PolarHBondContact O-N 2.93Å; I629-L632 CarbonylContact O-C 3.55Å; I629-L632 PolarHBondContact O-N 3.42Å; I629-L632 VanDerWaalsContact O-N 3.13Å; I629-E633 HydrophobicContact CG2-CG 4.21Å; I629-E633 WeakPolarHBondContact CG2-OE1 3.44Å; I629-E633 WeakPolarHBondContact O-CB 3.35Å; I629-E633 VanDerWaalsContact O-CG 3.28Å; I629-E633 WeakPolarHBondContact O-CG 3.29Å; I629-E633 PolarHBondContact O-N 3.04Å
630	R	79	Confident	73.9	Confident	137 Å²	137	81.7 Å²	81.7	52%	0.517	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-35	175.5	-78.1	176.7	-75.1	-156.4	-10.3	113.5	E626 S627 S634	E626-R630 WeakPolarHBondContact O-CB 3.36Å; E626-R630 WeakPolarHBondContact O-CG 3.17Å; E626-R630 PolarHBondContact O-N 3.48Å; E626-R630 VanDerWaalsContact O-N 3.08Å; E626-R630 PolarHBondContact O-NE 3.04Å; E626-R630 IonicContact OE2-CZ 3.12Å; E626-R630 IonicContact OE2-NH2 2.69Å; E626-R630 PolarHBondContact OE2-NH2 3.19Å; S627-R630 PolarHBondContact O-N 3.3Å; R630-S634 WeakPolarHBondContact O-CB 3.41Å; R630-S634 PolarHBondContact O-N 3.17Å
631	E	79	Confident	73.9	Confident	98 Å²	98	83.4 Å²	83.4	46%	0.458	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-42.5	173.9	-169.8	-168.3	152	0	0	111.2	S627 Q628 I629 K635	S627-E631 VanDerWaalsContact O-CB 3.28Å; S627-E631 WeakPolarHBondContact O-CB 3.4Å; S627-E631 PolarHBondContact O-N 3.44Å; Q628-E631 PolarHBondContact O-N 3.09Å; I629-E631 VanDerWaalsContact C-N 3.3Å; I629-E631 PolarHBondContact O-N 2.93Å; E631-K635 HydrophobicContact CG-CD 4.4Å; E631-K635 WeakPolarHBondContact O-CB 3.46Å; E631-K635 WeakPolarHBondContact O-CG 3.45Å; E631-K635 PolarHBondContact O-N 3.16Å; E631-K635 VanDerWaalsContact OE1-CE 3.22Å; E631-K635 WeakPolarHBondContact OE1-CE 3.15Å; E631-K635 IonicContact OE1-NZ 2.72Å; E631-K635 PolarHBondContact OE1-NZ 3.08Å
632	L	70.5	Confident	73.7	Confident	57 Å²	57	85.3 Å²	85.3	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-69.5	-38	174.9	-72.8	168.6	0	0	0	112.4	Q628 I629 K635 V636	Q628-L632 WeakPolarHBondContact O-CB 3.44Å; Q628-L632 VanDerWaalsContact O-CG 3.25Å; Q628-L632 WeakPolarHBondContact O-CG 3.38Å; Q628-L632 PolarHBondContact O-N 3.38Å; I629-L632 CarbonylContact O-C 3.55Å; I629-L632 PolarHBondContact O-N 3.42Å; I629-L632 VanDerWaalsContact O-N 3.13Å; L632-K635 HydrophobicContact CD2-CD 4.44Å; L632-K635 PolarHBondContact O-N 3.26Å; L632-V636 WeakPolarHBondContact O-CB 3.37Å; L632-V636 VanDerWaalsContact O-CG2 3.27Å; L632-V636 WeakPolarHBondContact O-CG2 3.42Å; L632-V636 PolarHBondContact O-N 2.66Å
633	E	72	Confident	73.5	Confident	107 Å²	107	88.7 Å²	88.7	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-45.9	173.8	-73.2	168.2	160.1	0	0	110.9	I629 V636 I637	I629-E633 HydrophobicContact CG2-CG 4.21Å; I629-E633 WeakPolarHBondContact CG2-OE1 3.44Å; I629-E633 WeakPolarHBondContact O-CB 3.35Å; I629-E633 VanDerWaalsContact O-CG 3.28Å; I629-E633 WeakPolarHBondContact O-CG 3.29Å; I629-E633 PolarHBondContact O-N 3.04Å; E633-V636 PolarHBondContact O-N 3.13Å; E633-I637 VanDerWaalsContact O-CG1 3.27Å; E633-I637 WeakPolarHBondContact O-CG1 3.48Å; E633-I637 PolarHBondContact O-N 3.32Å
634	S	78	Confident	72.6	Confident	58 Å²	58	86.7 Å²	86.7	41%	0.406	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-51.4	171.8	-166.6	0	0	0	0	110.3	R630 V636 I637 D638	R630-S634 WeakPolarHBondContact O-CB 3.41Å; R630-S634 PolarHBondContact O-N 3.17Å; S634-V636 PolarHBondContact O-N 3.35Å; S634-I637 CarbonylContact O-C 3.56Å; S634-I637 PolarHBondContact O-N 2.93Å; S634-D638 VanDerWaalsContact C-OD2 3.31Å; S634-D638 VanDerWaalsContact O-CB 3.3Å; S634-D638 WeakPolarHBondContact O-CB 3.4Å; S634-D638 PolarHBondContact O-N 2.96Å; S634-D638 PolarHBondContact OG-OD2 2.69Å
635	K	73.6	Confident	72.3	Confident	87 Å²	87	86.5 Å²	86.5	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-55.1	-38.4	176.6	-76.9	168.3	-178.5	172.7	0	112.4	E631 L632 L639	E631-K635 HydrophobicContact CG-CD 4.4Å; E631-K635 WeakPolarHBondContact O-CB 3.46Å; E631-K635 WeakPolarHBondContact O-CG 3.45Å; E631-K635 PolarHBondContact O-N 3.16Å; E631-K635 VanDerWaalsContact OE1-CE 3.22Å; E631-K635 WeakPolarHBondContact OE1-CE 3.15Å; E631-K635 IonicContact OE1-NZ 2.72Å; E631-K635 PolarHBondContact OE1-NZ 3.08Å; L632-K635 HydrophobicContact CD2-CD 4.44Å; L632-K635 PolarHBondContact O-N 3.26Å; K635-L639 WeakPolarHBondContact O-CB 3.43Å; K635-L639 WeakPolarHBondContact O-CD1 3.46Å; K635-L639 WeakPolarHBondContact O-CG 3.42Å; K635-L639 PolarHBondContact O-N 2.95Å
636	V	69	Low	71.7	Confident	74 Å²	74	88 Å²	88	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-65.9	-49.9	174.8	165.7	0	0	0	0	110.6	L632 E633 S634 D638 L639 E640	L632-V636 WeakPolarHBondContact O-CB 3.37Å; L632-V636 VanDerWaalsContact O-CG2 3.27Å; L632-V636 WeakPolarHBondContact O-CG2 3.42Å; L632-V636 PolarHBondContact O-N 2.66Å; E633-V636 PolarHBondContact O-N 3.13Å; S634-V636 PolarHBondContact O-N 3.35Å; V636-D638 VanDerWaalsContact C-N 3.31Å; V636-D638 PolarHBondContact O-N 3.13Å; V636-L639 CarbonylContact O-C 3.57Å; V636-L639 PolarHBondContact O-N 3.45Å; V636-E640 HydrophobicContact CG1-CG 4.31Å; V636-E640 VanDerWaalsContact O-CB 3.32Å; V636-E640 WeakPolarHBondContact O-CB 3.25Å; V636-E640 VanDerWaalsContact O-CG 3.27Å; V636-E640 WeakPolarHBondContact O-CG 3.32Å; V636-E640 PolarHBondContact O-N 3.17Å
637	I	78.8	Confident	70.8	Confident	85 Å²	85	90 Å²	90	44%	0.436	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-37	179.1	-60.1	161.8	0	0	0	111.2	E633 S634 E640 R641	E633-I637 VanDerWaalsContact O-CG1 3.27Å; E633-I637 WeakPolarHBondContact O-CG1 3.48Å; E633-I637 PolarHBondContact O-N 3.32Å; S634-I637 CarbonylContact O-C 3.56Å; S634-I637 PolarHBondContact O-N 2.93Å; I637-E640 PolarHBondContact O-N 3.06Å; I637-R641 WeakPolarHBondContact O-CB 3.47Å; I637-R641 WeakPolarHBondContact O-CG 3.41Å; I637-R641 PolarHBondContact O-N 2.93Å
638	D	75.7	Confident	69.8	Low	65 Å²	65	90.4 Å²	90.4	35%	0.348	45%	0.452	S	S	.	.	H	α-helix	trans	-67.6	-43.3	175.4	-68.3	-46.2	0	0	0	111	S634 V636 R641 E642	S634-D638 VanDerWaalsContact C-OD2 3.31Å; S634-D638 VanDerWaalsContact O-CB 3.3Å; S634-D638 WeakPolarHBondContact O-CB 3.4Å; S634-D638 PolarHBondContact O-N 2.96Å; S634-D638 PolarHBondContact OG-OD2 2.69Å; V636-D638 VanDerWaalsContact C-N 3.31Å; V636-D638 PolarHBondContact O-N 3.13Å; D638-R641 PolarHBondContact O-N 2.82Å; D638-R641 IonicContact OD1-CZ 3.44Å; D638-R641 IonicContact OD1-NH1 3.99Å; D638-R641 PolarHBondContact OD1-NH1 2.82Å; D638-R641 IonicContact OD1-NH2 2.64Å; D638-R641 PolarHBondContact OD1-NH2 3.14Å; D638-E642 WeakPolarHBondContact O-CB 3.5Å; D638-E642 PolarHBondContact O-N 3.21Å
639	L	68.8	Low	68.8	Low	46 Å²	46	92.5 Å²	92.5	24%	0.241	46%	0.461	C	S	.	.	H	α-helix	trans	-69.3	-29.4	172.9	-76.9	168	0	0	0	112.9	K635 V636 E642 K643 M669	K635-L639 WeakPolarHBondContact O-CB 3.43Å; K635-L639 WeakPolarHBondContact O-CD1 3.46Å; K635-L639 WeakPolarHBondContact O-CG 3.42Å; K635-L639 PolarHBondContact O-N 2.95Å; V636-L639 CarbonylContact O-C 3.57Å; V636-L639 PolarHBondContact O-N 3.45Å; L639-E642 WeakPolarHBondContact CD2-OE2 3.47Å; L639-K643 WeakPolarHBondContact O-CB 3.45Å; L639-K643 PolarHBondContact O-N 2.92Å; L639-M669 HydrophobicContact CD1-CE 4.36Å; L639-M669 HydrophobicContact CD1-SD 4.2Å
640	E	69.2	Low	67.7	Low	105 Å²	105	95 Å²	95	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-75	-36.5	174.1	-78	-179.7	158.1	0	0	111.1	V636 I637 S644	V636-E640 HydrophobicContact CG1-CG 4.31Å; V636-E640 VanDerWaalsContact O-CB 3.32Å; V636-E640 WeakPolarHBondContact O-CB 3.25Å; V636-E640 VanDerWaalsContact O-CG 3.27Å; V636-E640 WeakPolarHBondContact O-CG 3.32Å; V636-E640 PolarHBondContact O-N 3.17Å; I637-E640 PolarHBondContact O-N 3.06Å; E640-S644 VanDerWaalsContact O-CB 3.24Å; E640-S644 WeakPolarHBondContact O-CB 3.4Å; E640-S644 PolarHBondContact O-N 2.93Å; E640-S644 PolarHBondContact O-OG 2.58Å
641	R	75.5	Confident	66.4	Low	139 Å²	139	93.7 Å²	93.7	53%	0.525	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-43.9	167.2	-78.7	-172.5	-94	100.4	0.6	111.6	I637 D638 S644 K645	I637-R641 WeakPolarHBondContact O-CB 3.47Å; I637-R641 WeakPolarHBondContact O-CG 3.41Å; I637-R641 PolarHBondContact O-N 2.93Å; D638-R641 PolarHBondContact O-N 2.82Å; D638-R641 IonicContact OD1-CZ 3.44Å; D638-R641 IonicContact OD1-NH1 3.99Å; D638-R641 PolarHBondContact OD1-NH1 2.82Å; D638-R641 IonicContact OD1-NH2 2.64Å; D638-R641 PolarHBondContact OD1-NH2 3.14Å; R641-S644 PolarHBondContact O-N 2.74Å; R641-K645 VanDerWaalsContact O-CB 3.27Å; R641-K645 WeakPolarHBondContact O-CB 3.25Å; R641-K645 PolarHBondContact O-N 2.86Å
642	E	68.8	Low	64.7	Low	90 Å²	90	95.8 Å²	95.8	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-46.4	174.8	-168.7	-177.1	-177.5	0	0	110.9	D638 L639 K645 L646 R665	D638-E642 WeakPolarHBondContact O-CB 3.5Å; D638-E642 PolarHBondContact O-N 3.21Å; L639-E642 WeakPolarHBondContact CD2-OE2 3.47Å; E642-K645 PolarHBondContact O-N 3.4Å; E642-L646 HydrophobicContact CG-CD1 4.03Å; E642-L646 HydrophobicContact CG-CG 4.48Å; E642-L646 VanDerWaalsContact O-CB 3.31Å; E642-L646 WeakPolarHBondContact O-CB 3.32Å; E642-L646 VanDerWaalsContact O-CG 3.26Å; E642-L646 WeakPolarHBondContact O-CG 3.26Å; E642-L646 PolarHBondContact O-N 3.38Å; E642-R665 IonicContact OE2-NH1 2.74Å
643	K	66.3	Low	63.6	Low	131 Å²	131	101.5 Å²	101.5	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-61.1	-43.8	174.7	176.4	-174.9	173.3	-170.2	0	112.1	L639 L646 L647	L639-K643 WeakPolarHBondContact O-CB 3.45Å; L639-K643 PolarHBondContact O-N 2.92Å; K643-L646 PolarHBondContact O-N 3.09Å; K643-L647 HydrophobicContact CG-CD1 4.1Å; K643-L647 WeakPolarHBondContact O-CB 3.35Å; K643-L647 VanDerWaalsContact O-CG 3.24Å; K643-L647 WeakPolarHBondContact O-CG 3.44Å; K643-L647 PolarHBondContact O-N 3.29Å
644	S	60	Low	62.4	Low	75 Å²	75	104.6 Å²	104.6	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-68.1	-38.9	179	-58.5	0	0	0	0	111.7	E640 R641 L647 A648	E640-S644 VanDerWaalsContact O-CB 3.24Å; E640-S644 WeakPolarHBondContact O-CB 3.4Å; E640-S644 PolarHBondContact O-N 2.93Å; E640-S644 PolarHBondContact O-OG 2.58Å; R641-S644 PolarHBondContact O-N 2.74Å; S644-L647 PolarHBondContact O-N 3.09Å; S644-A648 PolarHBondContact O-N 2.9Å
645	K	69.2	Low	60.9	Low	125 Å²	125	108.6 Å²	108.6	54%	0.543	55%	0.553	S	S	.	*	H	α-helix	trans	-65.7	-46.7	173.5	-177.1	-179.2	169.2	-173.3	0	111.3	R641 E642 L647 A648 E649	R641-K645 VanDerWaalsContact O-CB 3.27Å; R641-K645 WeakPolarHBondContact O-CB 3.25Å; R641-K645 PolarHBondContact O-N 2.86Å; E642-K645 PolarHBondContact O-N 3.4Å; K645-L647 VanDerWaalsContact C-N 3.31Å; K645-L647 PolarHBondContact O-N 2.95Å; K645-A648 CarbonylContact O-C 3.55Å; K645-A648 WeakPolarHBondContact O-CA 3.42Å; K645-A648 WeakPolarHBondContact O-CB 3.48Å; K645-A648 PolarHBondContact O-N 3.02Å; K645-E649 WeakPolarHBondContact CE-OE1 3.42Å; K645-E649 VanDerWaalsContact CE-OE2 3.24Å; K645-E649 WeakPolarHBondContact CE-OE2 3.48Å; K645-E649 HydrophobicContact CG-CG 4.45Å; K645-E649 IonicContact NZ-OE1 2.66Å; K645-E649 PolarHBondContact NZ-OE1 3.1Å; K645-E649 PolarHBondContact O-N 2.88Å
646	L	55.5	Low	60	Low	66 Å²	66	113.3 Å²	113.3	35%	0.346	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-33	175.8	-72.1	173.7	0	0	0	112.1	E642 K643 A648 E649 H650	E642-L646 HydrophobicContact CG-CD1 4.03Å; E642-L646 HydrophobicContact CG-CG 4.48Å; E642-L646 VanDerWaalsContact O-CB 3.31Å; E642-L646 WeakPolarHBondContact O-CB 3.32Å; E642-L646 VanDerWaalsContact O-CG 3.26Å; E642-L646 WeakPolarHBondContact O-CG 3.26Å; E642-L646 PolarHBondContact O-N 3.38Å; K643-L646 PolarHBondContact O-N 3.09Å; L646-A648 PolarHBondContact O-N 3.17Å; L646-E649 PolarHBondContact O-N 2.91Å; L646-H650 WeakPolarHBondContact O-CB 3.49Å; L646-H650 PolarHBondContact O-N 3.06Å
647	L	56.4	Low	59.4	Low	131 Å²	131	115.6 Å²	115.6	69%	0.686	58%	0.583	S	S	*	*	H	α-helix	trans	-65.9	-25.8	171.1	-78.1	166.9	0	0	0	112.9	K643 S644 K645	K643-L647 HydrophobicContact CG-CD1 4.1Å; K643-L647 WeakPolarHBondContact O-CB 3.35Å; K643-L647 VanDerWaalsContact O-CG 3.24Å; K643-L647 WeakPolarHBondContact O-CG 3.44Å; K643-L647 PolarHBondContact O-N 3.29Å; S644-L647 PolarHBondContact O-N 3.09Å; K645-L647 VanDerWaalsContact C-N 3.31Å; K645-L647 PolarHBondContact O-N 2.95Å
648	A	55.1	Low	58.4	Low	76 Å²	76	114 Å²	114	63%	0.628	58%	0.579	S	S	*	*	H	α-helix	trans	-83.2	-32.5	171.2	0	0	0	0	0	112.9	S644 K645 L646	S644-A648 PolarHBondContact O-N 2.9Å; K645-A648 CarbonylContact O-C 3.55Å; K645-A648 WeakPolarHBondContact O-CA 3.42Å; K645-A648 WeakPolarHBondContact O-CB 3.48Å; K645-A648 PolarHBondContact O-N 3.02Å; L646-A648 PolarHBondContact O-N 3.17Å
649	E	53.8	Low	57.7	Low	109 Å²	109	117.1 Å²	117.1	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-87.2	-23.9	-177.8	-70.6	177.3	157.4	0	0	113.8	K645 L646 S651	K645-E649 WeakPolarHBondContact CE-OE1 3.42Å; K645-E649 VanDerWaalsContact CE-OE2 3.24Å; K645-E649 WeakPolarHBondContact CE-OE2 3.48Å; K645-E649 HydrophobicContact CG-CG 4.45Å; K645-E649 IonicContact NZ-OE1 2.66Å; K645-E649 PolarHBondContact NZ-OE1 3.1Å; K645-E649 PolarHBondContact O-N 2.88Å; L646-E649 PolarHBondContact O-N 2.91Å; E649-S651 PolarHBondContact O-N 3.1Å
650	H	48	Very low	57.5	Low	135 Å²	135	121.3 Å²	121.3	63%	0.625	61%	0.61	S	S	*	*			trans	-81.4	42.9	-176.7	-154.2	26.4	0	0	0	113.3	L646 N652	L646-H650 WeakPolarHBondContact O-CB 3.49Å; L646-H650 PolarHBondContact O-N 3.06Å; H650-N652 PolarHBondContact CE1-O 3.43Å; H650-N652 PolarHBondContact ND1-O 2.99Å
651	S	50.6	Low	57.4	Low	109 Å²	109	123.5 Å²	123.5	76%	0.762	62%	0.62	S	S	*	*	S	Bend	trans	-86.3	7.1	159.9	-60.6	0	0	0	0	112.3	E649	E649-S651 PolarHBondContact O-N 3.1Å
652	N	45	Very low	56.9	Low	141 Å²	141	122.5 Å²	122.5	75%	0.754	62%	0.616	S	S	*	*	S	Bend	trans	-126.3	143.5	168.4	-87.3	-43.8	0	0	0	110.4	H650	H650-N652 PolarHBondContact CE1-O 3.43Å; H650-N652 PolarHBondContact ND1-O 2.99Å
653	E	45.4	Very low	57	Low	178 Å²	178	122.9 Å²	122.9	83%	0.832	62%	0.618	S	S	*	*			trans	-98	172.4	-163.5	-145.8	164.6	-170.2	0	0	112.7
654	E	47.2	Very low	57.4	Low	171 Å²	171	119.3 Å²	119.3	80%	0.799	61%	0.613	S	S	*	*			trans	63.5	114.6	170.3	-52.1	-156.3	130.1	0	0	120.2
655	L	47.8	Very low	58.1	Low	143 Å²	143	122.2 Å²	122.2	75%	0.749	61%	0.613	S	S	*	*				-168	134.8	112.7	-103.9	169.6	0	0	0	111.6	S658	L655-S658 VanDerWaalsContact O-CB 3.29Å; L655-S658 WeakPolarHBondContact O-CB 3.46Å; L655-S658 PolarHBondContact O-N 3.44Å
656	K	54.7	Low	58.1	Low	185 Å²	185	121.1 Å²	121.1	80%	0.804	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-36.7	-159.9	-154.7	170.5	-174.1	173.8	0	114.5	S658 K659	K656-S658 PolarHBondContact O-N 3.22Å; K656-K659 WeakPolarHBondContact O-CB 3.47Å; K656-K659 PolarHBondContact O-N 3.18Å
657	D	56.5	Low	59.1	Low	122 Å²	122	124.4 Å²	124.4	65%	0.652	62%	0.624	S	S	*	*	H	α-helix	trans	-63	-30.8	-180	-59.3	-35.7	0	0	0	112.2	K659 M660 Q661	D657-K659 PolarHBondContact O-N 3.46Å; D657-K659 VanDerWaalsContact O-N 3.12Å; D657-M660 PolarHBondContact O-N 3.16Å; D657-M660 VanDerWaalsContact O-N 3.13Å; D657-Q661 PolarHBondContact O-N 3.34Å
658	S	56.3	Low	60.1	Low	51 Å²	51	121.4 Å²	121.4	36%	0.357	61%	0.611	S	S	.	*	H	α-helix	trans	-60.7	-20.8	175.2	-148.7	0	0	0	0	112.6	L655 K656 R662	L655-S658 VanDerWaalsContact O-CB 3.29Å; L655-S658 WeakPolarHBondContact O-CB 3.46Å; L655-S658 PolarHBondContact O-N 3.44Å; K656-S658 PolarHBondContact O-N 3.22Å; S658-R662 VanDerWaalsContact O-CG 3.3Å; S658-R662 WeakPolarHBondContact O-CG 3.45Å; S658-R662 PolarHBondContact O-N 2.93Å; S658-R662 PolarHBondContact O-NH1 3.4Å; S658-R662 PolarHBondContact OG-NH1 3.2Å
659	K	62.2	Low	60.8	Low	132 Å²	132	121.2 Å²	121.2	57%	0.574	60%	0.598	S	S	*	*	H	α-helix	trans	-80.2	-47.6	172	-168.4	176.5	-171.9	-94.3	0	112	K656 D657 Q661 R662 E663	K656-K659 WeakPolarHBondContact O-CB 3.47Å; K656-K659 PolarHBondContact O-N 3.18Å; D657-K659 PolarHBondContact O-N 3.46Å; D657-K659 VanDerWaalsContact O-N 3.12Å; K659-Q661 VanDerWaalsContact C-N 3.27Å; K659-Q661 PolarHBondContact O-N 3.37Å; K659-R662 WeakPolarHBondContact O-CB 3.37Å; K659-R662 PolarHBondContact O-N 2.82Å; K659-R662 VanDerWaalsContact O-N 3.1Å; K659-E663 WeakPolarHBondContact CE-OE1 3.49Å; K659-E663 IonicContact NZ-OE1 2.69Å; K659-E663 PolarHBondContact NZ-OE1 3.09Å; K659-E663 PolarHBondContact O-N 3.34Å
660	M	65.1	Low	61.6	Low	133 Å²	133	121.8 Å²	121.8	66%	0.655	60%	0.6	S	S	*	*	H	α-helix	trans	-60.1	-40.1	179	-167.3	-168.2	-56.7	0	0	111.3	D657 R662 E663 A664	D657-M660 PolarHBondContact O-N 3.16Å; D657-M660 VanDerWaalsContact O-N 3.13Å; M660-R662 PolarHBondContact O-N 3.07Å; M660-E663 PolarHBondContact O-N 2.73Å; M660-A664 WeakPolarHBondContact O-CB 3.46Å; M660-A664 PolarHBondContact O-N 3.29Å
661	Q	66.9	Low	63.1	Low	151 Å²	151	121.2 Å²	121.2	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-68	-32.5	177.4	-156.2	174.5	27.2	0	0	112.6	D657 K659 R665	D657-Q661 PolarHBondContact O-N 3.34Å; K659-Q661 VanDerWaalsContact C-N 3.27Å; K659-Q661 PolarHBondContact O-N 3.37Å; Q661-R665 WeakPolarHBondContact O-CB 3.42Å; Q661-R665 PolarHBondContact O-N 2.9Å
662	R	64.4	Low	64.5	Low	119 Å²	119	119.7 Å²	119.7	45%	0.449	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-44.1	170.7	-78.4	177.4	-179.1	87.6	-6.9	112	S658 K659 M660 A664 R665 L666	S658-R662 VanDerWaalsContact O-CG 3.3Å; S658-R662 WeakPolarHBondContact O-CG 3.45Å; S658-R662 PolarHBondContact O-N 2.93Å; S658-R662 PolarHBondContact O-NH1 3.4Å; S658-R662 PolarHBondContact OG-NH1 3.2Å; K659-R662 WeakPolarHBondContact O-CB 3.37Å; K659-R662 PolarHBondContact O-N 2.82Å; K659-R662 VanDerWaalsContact O-N 3.1Å; M660-R662 PolarHBondContact O-N 3.07Å; R662-A664 VanDerWaalsContact C-N 3.35Å; R662-A664 PolarHBondContact O-N 3.42Å; R662-R665 PolarHBondContact O-N 2.98Å; R662-L666 WeakPolarHBondContact O-CB 3.45Å; R662-L666 WeakPolarHBondContact O-CG 3.45Å; R662-L666 PolarHBondContact O-N 3.48Å
663	E	70.7	Confident	66	Low	97 Å²	97	117.8 Å²	117.8	45%	0.453	57%	0.568	S	S	.	*	H	α-helix	trans	-62.9	-40.3	177.9	-72.2	171.1	-177.1	0	0	111.8	K659 M660 K667	K659-E663 WeakPolarHBondContact CE-OE1 3.49Å; K659-E663 IonicContact NZ-OE1 2.69Å; K659-E663 PolarHBondContact NZ-OE1 3.09Å; K659-E663 PolarHBondContact O-N 3.34Å; M660-E663 PolarHBondContact O-N 2.73Å; E663-K667 PolarHBondContact O-N 3.04Å
664	A	75.5	Confident	67.5	Low	56 Å²	56	113.2 Å²	113.2	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-48.1	171.3	0	0	0	0	0	112.2	M660 R662 L666 K667 T668	M660-A664 WeakPolarHBondContact O-CB 3.46Å; M660-A664 PolarHBondContact O-N 3.29Å; R662-A664 VanDerWaalsContact C-N 3.35Å; R662-A664 PolarHBondContact O-N 3.42Å; A664-L666 VanDerWaalsContact C-N 3.34Å; A664-L666 PolarHBondContact O-N 3.28Å; A664-K667 PolarHBondContact O-N 3.33Å; A664-T668 PolarHBondContact O-N 3.37Å; A664-T668 PolarHBondContact O-OG1 2.74Å
665	R	74.7	Confident	69	Low	137 Å²	137	110.7 Å²	110.7	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-39.9	178.9	-167.6	175.2	-176	-170.2	-0.4	112	E642 Q661 R662 T668 M669	E642-R665 IonicContact OE2-NH1 2.74Å; Q661-R665 WeakPolarHBondContact O-CB 3.42Å; Q661-R665 PolarHBondContact O-N 2.9Å; R662-R665 PolarHBondContact O-N 2.98Å; R665-T668 PolarHBondContact O-N 3.17Å; R665-M669 WeakPolarHBondContact O-CG 3.18Å; R665-M669 PolarHBondContact O-N 3.32Å
666	L	69.5	Low	70.3	Confident	102 Å²	102	106.3 Å²	106.3	53%	0.534	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-47	173.7	-76.5	167.3	0	0	0	111.7	R662 A664 T668 M669 E670	R662-L666 WeakPolarHBondContact O-CB 3.45Å; R662-L666 WeakPolarHBondContact O-CG 3.45Å; R662-L666 PolarHBondContact O-N 3.48Å; A664-L666 VanDerWaalsContact C-N 3.34Å; A664-L666 PolarHBondContact O-N 3.28Å; L666-T668 VanDerWaalsContact C-N 3.29Å; L666-T668 PolarHBondContact O-N 3.39Å; L666-M669 PolarHBondContact O-N 2.81Å; L666-M669 VanDerWaalsContact O-N 3.08Å; L666-E670 PolarHBondContact O-N 3.22Å
667	K	75.5	Confident	71.4	Confident	135 Å²	135	105.6 Å²	105.6	59%	0.587	51%	0.509	S	S	*	.	H	α-helix	trans	-61.8	-35.1	177.8	-173.2	172.9	-178.9	177.5	0	112.7	E663 A664 Q671	E663-K667 PolarHBondContact O-N 3.04Å; A664-K667 PolarHBondContact O-N 3.33Å; K667-Q671 WeakPolarHBondContact O-CG 3.45Å; K667-Q671 PolarHBondContact O-N 3.38Å; K667-Q671 VanDerWaalsContact O-N 3.16Å
668	T	77.4	Confident	72.6	Confident	68 Å²	68	108.6 Å²	108.6	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-45.9	171	-55.5	0	0	0	0	111.3	A664 R665 L666 E670 Q671 E672	A664-T668 PolarHBondContact O-N 3.37Å; A664-T668 PolarHBondContact O-OG1 2.74Å; R665-T668 PolarHBondContact O-N 3.17Å; L666-T668 VanDerWaalsContact C-N 3.29Å; L666-T668 PolarHBondContact O-N 3.39Å; T668-E670 VanDerWaalsContact C-N 3.31Å; T668-E670 PolarHBondContact O-N 3.34Å; T668-Q671 WeakPolarHBondContact O-CB 3.47Å; T668-Q671 PolarHBondContact O-N 2.89Å; T668-E672 PolarHBondContact O-N 3.12Å
669	M	69.5	Low	73.7	Confident	71 Å²	71	108 Å²	108	35%	0.35	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-31.2	177.5	-61.9	-151	-49.2	0	0	112.9	L639 R665 L666 Q671 E672 L673	L639-M669 HydrophobicContact CD1-CE 4.36Å; L639-M669 HydrophobicContact CD1-SD 4.2Å; R665-M669 WeakPolarHBondContact O-CG 3.18Å; R665-M669 PolarHBondContact O-N 3.32Å; L666-M669 PolarHBondContact O-N 2.81Å; L666-M669 VanDerWaalsContact O-N 3.08Å; M669-Q671 VanDerWaalsContact C-N 3.34Å; M669-E672 PolarHBondContact O-N 3.34Å; M669-L673 WeakPolarHBondContact O-CB 3.26Å; M669-L673 VanDerWaalsContact O-CG 3.26Å; M669-L673 WeakPolarHBondContact O-CG 3.37Å; M669-L673 PolarHBondContact O-N 3.14Å
670	E	71.7	Confident	74.3	Confident	122 Å²	122	107.3 Å²	107.3	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-64.5	-36.2	169.9	-72.8	-175	155.5	0	0	112.6	L666 T668 N674	L666-E670 PolarHBondContact O-N 3.22Å; T668-E670 VanDerWaalsContact C-N 3.31Å; T668-E670 PolarHBondContact O-N 3.34Å; E670-N674 WeakPolarHBondContact O-CB 3.29Å; E670-N674 PolarHBondContact O-N 3.32Å; E670-N674 VanDerWaalsContact O-N 3.08Å; E670-N674 PolarHBondContact O-ND2 3.25Å
671	Q	79	Confident	75	Confident	122 Å²	122	104.8 Å²	104.8	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-68.5	-45.1	174.6	-71.5	176.4	-9.1	0	0	111.2	K667 T668 M669 N674 Q675	K667-Q671 WeakPolarHBondContact O-CG 3.45Å; K667-Q671 PolarHBondContact O-N 3.38Å; K667-Q671 VanDerWaalsContact O-N 3.16Å; T668-Q671 WeakPolarHBondContact O-CB 3.47Å; T668-Q671 PolarHBondContact O-N 2.89Å; M669-Q671 VanDerWaalsContact C-N 3.34Å; Q671-N674 PolarHBondContact O-N 3.37Å; Q671-Q675 WeakPolarHBondContact O-CB 3.3Å; Q671-Q675 PolarHBondContact O-N 3.49Å
672	E	79.8	Confident	75.4	Confident	78 Å²	78	102.8 Å²	102.8	36%	0.364	49%	0.488	S	S	.	.	H	α-helix	trans	-58.3	-50.2	174.4	-69.5	176	-177.3	0	0	111.3	T668 M669 N674 Q675 T676	T668-E672 PolarHBondContact O-N 3.12Å; M669-E672 PolarHBondContact O-N 3.34Å; E672-N674 VanDerWaalsContact C-N 3.32Å; E672-N674 PolarHBondContact O-N 3.08Å; E672-Q675 WeakPolarHBondContact O-CA 3.37Å; E672-Q675 WeakPolarHBondContact O-CB 3.39Å; E672-Q675 PolarHBondContact O-N 3.05Å; E672-T676 PolarHBondContact O-N 3Å; E672-T676 PolarHBondContact O-OG1 3.46Å; E672-T676 VanDerWaalsContact O-OG1 3.06Å
673	L	75.5	Confident	75.8	Confident	101 Å²	101	98.3 Å²	98.3	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-58.7	-39.5	177.1	-76.5	169.5	0	0	0	113	M669 R677	M669-L673 WeakPolarHBondContact O-CB 3.26Å; M669-L673 VanDerWaalsContact O-CG 3.26Å; M669-L673 WeakPolarHBondContact O-CG 3.37Å; M669-L673 PolarHBondContact O-N 3.14Å; L673-R677 WeakPolarHBondContact O-CB 3.41Å; L673-R677 VanDerWaalsContact O-CG 3.28Å; L673-R677 WeakPolarHBondContact O-CG 3.34Å; L673-R677 PolarHBondContact O-N 3.43Å
674	N	76.9	Confident	76.2	Confident	82 Å²	82	96.8 Å²	96.8	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-71.6	-30.6	176.3	-78.9	-58.2	0	0	0	112.5	E670 Q671 E672 R678	E670-N674 WeakPolarHBondContact O-CB 3.29Å; E670-N674 PolarHBondContact O-N 3.32Å; E670-N674 VanDerWaalsContact O-N 3.08Å; E670-N674 PolarHBondContact O-ND2 3.25Å; Q671-N674 PolarHBondContact O-N 3.37Å; E672-N674 VanDerWaalsContact C-N 3.32Å; E672-N674 PolarHBondContact O-N 3.08Å; N674-R678 WeakPolarHBondContact O-CG 3.46Å; N674-R678 PolarHBondContact O-N 3.38Å
675	Q	80.6	Confident	76.4	Confident	118 Å²	118	102.9 Å²	102.9	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-67.3	-47.7	171.2	-173.5	170.5	-3.2	0	0	111.1	Q671 E672 R677 R678 Q679	Q671-Q675 WeakPolarHBondContact O-CB 3.3Å; Q671-Q675 PolarHBondContact O-N 3.49Å; E672-Q675 WeakPolarHBondContact O-CA 3.37Å; E672-Q675 WeakPolarHBondContact O-CB 3.39Å; E672-Q675 PolarHBondContact O-N 3.05Å; Q675-R677 VanDerWaalsContact C-N 3.31Å; Q675-R677 PolarHBondContact O-N 3.01Å; Q675-R678 PolarHBondContact O-N 3.39Å; Q675-R678 VanDerWaalsContact O-N 3.15Å; Q675-Q679 WeakPolarHBondContact O-CG 3.08Å; Q675-Q679 PolarHBondContact O-N 2.93Å; Q675-Q679 PolarHBondContact O-OE1 2.88Å
676	T	74.7	Confident	76.5	Confident	50 Å²	50	100.8 Å²	100.8	31%	0.307	48%	0.482	S	S	.	.	H	α-helix	trans	-58.4	-41	174.9	-48.5	0	0	0	0	112	E672 R678 Q679 L680	E672-T676 PolarHBondContact O-N 3Å; E672-T676 PolarHBondContact O-OG1 3.46Å; E672-T676 VanDerWaalsContact O-OG1 3.06Å; T676-R678 PolarHBondContact O-N 2.76Å; T676-Q679 PolarHBondContact O-N 2.94Å; T676-L680 WeakPolarHBondContact O-CB 3.45Å; T676-L680 PolarHBondContact O-N 3.14Å
677	R	78.1	Confident	77	Confident	170 Å²	170	101 Å²	101	64%	0.642	48%	0.479	S	S	*	.	H	α-helix	trans	-61	-42.2	175.4	-78.2	171.9	174.3	-172.3	-2.1	112.8	L673 Q675 L680 T681	L673-R677 WeakPolarHBondContact O-CB 3.41Å; L673-R677 VanDerWaalsContact O-CG 3.28Å; L673-R677 WeakPolarHBondContact O-CG 3.34Å; L673-R677 PolarHBondContact O-N 3.43Å; Q675-R677 VanDerWaalsContact C-N 3.31Å; Q675-R677 PolarHBondContact O-N 3.01Å; R677-L680 PolarHBondContact O-N 2.79Å; R677-T681 PolarHBondContact O-N 3.31Å
678	R	81.4	Confident	77.4	Confident	186 Å²	186	101.2 Å²	101.2	70%	0.702	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-49.3	175.3	-71.7	173.9	-177.7	-175	1	110.9	N674 Q675 T676 L680 T681 E682	N674-R678 WeakPolarHBondContact O-CG 3.46Å; N674-R678 PolarHBondContact O-N 3.38Å; Q675-R678 PolarHBondContact O-N 3.39Å; Q675-R678 VanDerWaalsContact O-N 3.15Å; T676-R678 PolarHBondContact O-N 2.76Å; R678-L680 VanDerWaalsContact C-N 3.29Å; R678-L680 PolarHBondContact O-N 2.93Å; R678-T681 PolarHBondContact O-N 3.33Å; R678-T681 PolarHBondContact O-OG1 3.09Å; R678-E682 PolarHBondContact O-N 3.01Å; R678-E682 VanDerWaalsContact O-N 3.16Å
679	Q	77.7	Confident	77.6	Confident	39 Å²	39	99.9 Å²	99.9	18%	0.182	48%	0.475	C	S	.	.	H	α-helix	trans	-57.4	-40.1	178.5	-69.4	167.7	-44.8	0	0	112.4	Y625 Q675 T676 T681 E682 L683	Y625-Q679 HydrophobicContact CE1-CB 3.95Å; Y625-Q679 HydrophobicContact CE1-CG 4.18Å; Y625-Q679 WeakPolarHBondContact OH-CB 3.47Å; Y625-Q679 VanDerWaalsContact OH-CG 3.3Å; Y625-Q679 WeakPolarHBondContact OH-CG 3.37Å; Y625-Q679 PolarHBondContact OH-NE2 3.28Å; Q675-Q679 WeakPolarHBondContact O-CG 3.08Å; Q675-Q679 PolarHBondContact O-N 2.93Å; Q675-Q679 PolarHBondContact O-OE1 2.88Å; T676-Q679 PolarHBondContact O-N 2.94Å; Q679-T681 VanDerWaalsContact C-N 3.33Å; Q679-T681 PolarHBondContact O-N 3.12Å; Q679-E682 PolarHBondContact O-N 3.28Å; Q679-L683 WeakPolarHBondContact O-CG 3.16Å; Q679-L683 PolarHBondContact O-N 3.46Å
680	L	76	Confident	78.2	Confident	116 Å²	116	99.1 Å²	99.1	61%	0.607	47%	0.47	S	S	*	.	H	α-helix	trans	-62.4	-36.4	174.7	-174	63.3	0	0	0	112.9	T676 R677 R678 S684	T676-L680 WeakPolarHBondContact O-CB 3.45Å; T676-L680 PolarHBondContact O-N 3.14Å; R677-L680 PolarHBondContact O-N 2.79Å; R678-L680 VanDerWaalsContact C-N 3.29Å; R678-L680 PolarHBondContact O-N 2.93Å; L680-S684 PolarHBondContact O-N 2.88Å; L680-S684 VanDerWaalsContact O-N 3.07Å
681	T	78.4	Confident	78.9	Confident	81 Å²	81	97.6 Å²	97.6	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-70.5	-31.6	175.1	64.7	0	0	0	0	113.1	R677 R678 Q679 S684 R685	R677-T681 PolarHBondContact O-N 3.31Å; R678-T681 PolarHBondContact O-N 3.33Å; R678-T681 PolarHBondContact O-OG1 3.09Å; Q679-T681 VanDerWaalsContact C-N 3.33Å; Q679-T681 PolarHBondContact O-N 3.12Å; T681-S684 PolarHBondContact O-N 2.87Å; T681-R685 WeakPolarHBondContact O-CG 3.41Å; T681-R685 PolarHBondContact O-N 3.34Å; T681-R685 VanDerWaalsContact O-N 3.16Å
682	E	77.3	Confident	79.2	Confident	109 Å²	109	94.8 Å²	94.8	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-70.7	-43.6	174.2	-66.1	-179.5	149.6	0	0	111.3	R678 Q679 S684 R685 L686	R678-E682 PolarHBondContact O-N 3.01Å; R678-E682 VanDerWaalsContact O-N 3.16Å; Q679-E682 PolarHBondContact O-N 3.28Å; E682-S684 VanDerWaalsContact C-N 3.28Å; E682-S684 PolarHBondContact O-N 3Å; E682-R685 WeakPolarHBondContact O-CB 3.35Å; E682-R685 PolarHBondContact O-N 3.19Å; E682-R685 VanDerWaalsContact O-N 3.12Å; E682-L686 WeakPolarHBondContact O-CG 3.47Å; E682-L686 PolarHBondContact O-N 2.82Å
683	L	72.4	Confident	79.4	Confident	25 Å²	25	96.5 Å²	96.5	13%	0.131	46%	0.464	C	S	.	.	H	α-helix	trans	-57.6	-39.5	171.7	-70.5	174.2	0	0	0	112.4	Y618 L621 Y625 Q679 L686 K687	Y618-L683 HydrophobicContact CE2-CD2 4.46Å; L621-L683 HydrophobicContact CD2-CD2 3.81Å; L621-L683 HydrophobicContact CG-CD2 4.21Å; Y625-L683 HydrophobicContact CD2-CD1 3.68Å; Y625-L683 HydrophobicContact CD2-CD2 4.21Å; Y625-L683 HydrophobicContact CD2-CG 4.35Å; Y625-L683 HydrophobicContact CE2-CD1 3.92Å; Y625-L683 HydrophobicContact CE2-CD2 4.08Å; Y625-L683 HydrophobicContact CE2-CG 4.18Å; Y625-L683 HydrophobicContact CG-CD1 4.35Å; Q679-L683 WeakPolarHBondContact O-CG 3.16Å; Q679-L683 PolarHBondContact O-N 3.46Å; L683-L686 PolarHBondContact O-N 3.33Å; L683-K687 WeakPolarHBondContact O-CB 3.47Å; L683-K687 PolarHBondContact O-N 3.42Å
684	S	77.5	Confident	79.9	Confident	64 Å²	64	96.3 Å²	96.3	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.2	-171.9	0	0	0	0	112.6	L680 T681 E682 K688	L680-S684 PolarHBondContact O-N 2.88Å; L680-S684 VanDerWaalsContact O-N 3.07Å; T681-S684 PolarHBondContact O-N 2.87Å; E682-S684 VanDerWaalsContact C-N 3.28Å; E682-S684 PolarHBondContact O-N 3Å; S684-K688 WeakPolarHBondContact O-CG 3.47Å; S684-K688 PolarHBondContact O-N 3.13Å
685	R	81	Confident	80.5	Confident	184 Å²	184	95.3 Å²	95.3	69%	0.694	46%	0.463	S	S	*	.	H	α-helix	trans	-67.2	-46	172.7	-72.4	172.4	171.5	167.8	-3.5	111.8	T681 E682 K688 A689	T681-R685 WeakPolarHBondContact O-CG 3.41Å; T681-R685 PolarHBondContact O-N 3.34Å; T681-R685 VanDerWaalsContact O-N 3.16Å; E682-R685 WeakPolarHBondContact O-CB 3.35Å; E682-R685 PolarHBondContact O-N 3.19Å; E682-R685 VanDerWaalsContact O-N 3.12Å; R685-K688 PolarHBondContact O-N 3.44Å; R685-A689 WeakPolarHBondContact O-CB 3.26Å; R685-A689 PolarHBondContact O-N 2.92Å
686	L	77	Confident	81	Confident	93 Å²	93	93.4 Å²	93.4	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-62.5	-43	178.7	-70.8	171.3	0	0	0	111.9	L621 E682 L683 K688 A689 K690	L621-L686 HydrophobicContact CD2-CD1 4.41Å; E682-L686 WeakPolarHBondContact O-CG 3.47Å; E682-L686 PolarHBondContact O-N 2.82Å; L683-L686 PolarHBondContact O-N 3.33Å; L686-K688 PolarHBondContact O-N 3.33Å; L686-A689 CarbonylContact O-C 3.59Å; L686-A689 PolarHBondContact O-N 2.87Å; L686-A689 VanDerWaalsContact O-N 3.17Å; L686-K690 PolarHBondContact O-N 3.27Å
687	K	79.7	Confident	81.8	Confident	108 Å²	108	91.4 Å²	91.4	47%	0.47	44%	0.442	S	S	.	.	H	α-helix	trans	-57.6	-49.9	174.9	174.8	169.1	171	170	0	111.7	L683 A689 K690 E691	L683-K687 WeakPolarHBondContact O-CB 3.47Å; L683-K687 PolarHBondContact O-N 3.42Å; K687-A689 VanDerWaalsContact C-N 3.26Å; K687-A689 PolarHBondContact O-N 3.22Å; K687-K690 WeakPolarHBondContact O-CA 3.43Å; K687-K690 WeakPolarHBondContact O-CB 3.33Å; K687-K690 PolarHBondContact O-N 3.29Å; K687-E691 WeakPolarHBondContact CE-OE1 3.46Å; K687-E691 HydrophobicContact CG-CG 4.38Å; K687-E691 IonicContact NZ-OE1 3.64Å; K687-E691 WeakPolarHBondContact O-CG 3.31Å; K687-E691 PolarHBondContact O-N 2.99Å
688	K	84.5	Confident	82.5	Confident	138 Å²	138	88 Å²	88	60%	0.6	44%	0.436	S	S	*	.	H	α-helix	trans	-60.8	-35.4	176.7	-71.7	-179.4	178.1	-172.5	0	112.7	S684 R685 L686 K690 A692	S684-K688 WeakPolarHBondContact O-CG 3.47Å; S684-K688 PolarHBondContact O-N 3.13Å; R685-K688 PolarHBondContact O-N 3.44Å; L686-K688 PolarHBondContact O-N 3.33Å; K688-K690 VanDerWaalsContact C-N 3.34Å; K688-A692 WeakPolarHBondContact O-CB 3.24Å; K688-A692 PolarHBondContact O-N 2.98Å
689	A	81.2	Confident	83.1	Confident	40 Å²	40	84 Å²	84	33%	0.331	42%	0.421	S	S	.	.	H	α-helix	trans	-72.8	-22.4	175.2	0	0	0	0	0	113.6	R685 L686 K687 R693	R685-A689 WeakPolarHBondContact O-CB 3.26Å; R685-A689 PolarHBondContact O-N 2.92Å; L686-A689 CarbonylContact O-C 3.59Å; L686-A689 PolarHBondContact O-N 2.87Å; L686-A689 VanDerWaalsContact O-N 3.17Å; K687-A689 VanDerWaalsContact C-N 3.26Å; K687-A689 PolarHBondContact O-N 3.22Å; A689-R693 WeakPolarHBondContact O-CG 3.38Å; A689-R693 PolarHBondContact O-NH1 2.89Å
690	K	82.6	Confident	83.9	Confident	55 Å²	55	82.5 Å²	82.5	24%	0.239	41%	0.414	C	S	.	.	H	α-helix	trans	-74.4	-53.8	167.1	172.7	172.3	174.3	163.8	0	110.7	D615 L686 K687 K688 A692 R693 E694	D615-K690 WeakPolarHBondContact OD1-CD 3.37Å; D615-K690 WeakPolarHBondContact OD1-CE 3.45Å; D615-K690 IonicContact OD1-NZ 2.91Å; D615-K690 PolarHBondContact OD1-NZ 3.35Å; D615-K690 IonicContact OD2-NZ 3.65Å; D615-K690 PolarHBondContact OD2-NZ 2.92Å; L686-K690 PolarHBondContact O-N 3.27Å; K687-K690 WeakPolarHBondContact O-CA 3.43Å; K687-K690 WeakPolarHBondContact O-CB 3.33Å; K687-K690 PolarHBondContact O-N 3.29Å; K688-K690 VanDerWaalsContact C-N 3.34Å; K690-A692 PolarHBondContact O-N 2.75Å; K690-A692 VanDerWaalsContact O-N 3.15Å; K690-R693 PolarHBondContact O-N 3.02Å; K690-E694 WeakPolarHBondContact CE-OE1 3.46Å; K690-E694 WeakPolarHBondContact CE-OE2 3.5Å; K690-E694 HydrophobicContact CG-CG 4.2Å; K690-E694 IonicContact NZ-OE1 3.53Å; K690-E694 PolarHBondContact NZ-OE1 3.34Å; K690-E694 PolarHBondContact O-N 3.15Å
691	E	85	Confident	84.7	Confident	90 Å²	90	83.1 Å²	83.1	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-53.7	-38.6	-178.7	-69	168.6	151.8	0	0	111.6	K687 A695	K687-E691 WeakPolarHBondContact CE-OE1 3.46Å; K687-E691 HydrophobicContact CG-CG 4.38Å; K687-E691 IonicContact NZ-OE1 3.64Å; K687-E691 WeakPolarHBondContact O-CG 3.31Å; K687-E691 PolarHBondContact O-N 2.99Å; E691-A695 WeakPolarHBondContact O-CB 3.49Å; E691-A695 PolarHBondContact O-N 2.86Å; E691-A695 VanDerWaalsContact O-N 3.12Å
692	A	86.4	Confident	85.4	Confident	63 Å²	63	83.6 Å²	83.6	52%	0.521	41%	0.408	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.3	0	0	0	0	0	114	K688 K690 E696	K688-A692 WeakPolarHBondContact O-CB 3.24Å; K688-A692 PolarHBondContact O-N 2.98Å; K690-A692 PolarHBondContact O-N 2.75Å; K690-A692 VanDerWaalsContact O-N 3.15Å; A692-E696 PolarHBondContact O-N 3Å
693	R	83.8	Confident	86.3	Confident	115 Å²	115	81.1 Å²	81.1	43%	0.434	40%	0.396	S	S	.	.	H	α-helix	trans	-70.8	-41.3	177.5	-71.9	-179.5	-175.6	100.3	-15.1	111.8	A689 K690 A695 E696 C697	A689-R693 WeakPolarHBondContact O-CG 3.38Å; A689-R693 PolarHBondContact O-NH1 2.89Å; K690-R693 PolarHBondContact O-N 3.02Å; R693-A695 VanDerWaalsContact C-N 3.31Å; R693-A695 PolarHBondContact O-N 3.42Å; R693-E696 PolarHBondContact O-N 3.05Å; R693-E696 VanDerWaalsContact O-N 3.12Å; R693-C697 PolarHBondContact O-N 2.93Å; R693-C697 PolarHBondContact O-SG 3.31Å
694	E	86.3	Confident	87.4	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-41.4	177	-68.9	179.6	133.3	0	0	111.5	K690 E696 C697 L698	K690-E694 WeakPolarHBondContact CE-OE1 3.46Å; K690-E694 WeakPolarHBondContact CE-OE2 3.5Å; K690-E694 HydrophobicContact CG-CG 4.2Å; K690-E694 IonicContact NZ-OE1 3.53Å; K690-E694 PolarHBondContact NZ-OE1 3.34Å; K690-E694 PolarHBondContact O-N 3.15Å; E694-E696 VanDerWaalsContact C-N 3.33Å; E694-E696 PolarHBondContact O-N 3.03Å; E694-C697 PolarHBondContact O-N 3.13Å; E694-L698 PolarHBondContact O-N 3.46Å
695	A	89	Confident	88.1	Confident	60 Å²	60	83.4 Å²	83.4	50%	0.496	40%	0.4	S	S	.	.	H	α-helix	trans	-62.3	-37.7	173.3	0	0	0	0	0	112.7	E691 R693 R699	E691-A695 WeakPolarHBondContact O-CB 3.49Å; E691-A695 PolarHBondContact O-N 2.86Å; E691-A695 VanDerWaalsContact O-N 3.12Å; R693-A695 VanDerWaalsContact C-N 3.31Å; R693-A695 PolarHBondContact O-N 3.42Å; A695-R699 WeakPolarHBondContact O-CB 3.46Å; A695-R699 PolarHBondContact O-N 3.28Å
696	E	91.6	Very high	88.8	Confident	78 Å²	78	78.4 Å²	78.4	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-70.8	-41.3	175.7	-178.6	151.3	-123.2	0	0	113.1	L607 A692 R693 E694 L698 R699 L700	L607-E696 HydrophobicContact CD1-CG 4.02Å; A692-E696 PolarHBondContact O-N 3Å; R693-E696 PolarHBondContact O-N 3.05Å; R693-E696 VanDerWaalsContact O-N 3.12Å; E694-E696 VanDerWaalsContact C-N 3.33Å; E694-E696 PolarHBondContact O-N 3.03Å; E696-L698 VanDerWaalsContact C-N 3.29Å; E696-L698 PolarHBondContact O-N 3.1Å; E696-R699 WeakPolarHBondContact O-CB 3.47Å; E696-R699 PolarHBondContact O-N 3.46Å; E696-R699 IonicContact OE1-CZ 3.26Å; E696-R699 IonicContact OE1-NE 2.68Å; E696-R699 IonicContact OE1-NH2 2.74Å; E696-R699 PolarHBondContact OE1-NH2 3.19Å; E696-L700 HydrophobicContact CG-CD1 4.33Å; E696-L700 WeakPolarHBondContact O-CG 3.46Å; E696-L700 PolarHBondContact O-N 3.28Å
697	C	90.9	Very high	89.7	Confident	8 Å²	8	75.7 Å²	75.7	5%	0.054	38%	0.378	C	S	.	.	H	α-helix	trans	-59.2	-41.6	172.7	-68.9	0	0	0	0	111.3	L604 R693 E694 L700 R701	L604-C697 HydrophobicContact CD1-CB 3.88Å; R693-C697 PolarHBondContact O-N 2.93Å; R693-C697 PolarHBondContact O-SG 3.31Å; E694-C697 PolarHBondContact O-N 3.13Å; C697-L700 PolarHBondContact O-N 3.49Å; C697-R701 VanDerWaalsContact O-CG 3.26Å; C697-R701 WeakPolarHBondContact O-CG 3.45Å; C697-R701 PolarHBondContact O-N 3.1Å
698	L	92.4	Very high	90.4	Very high	98 Å²	98	75.4 Å²	75.4	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-42.1	175	-175.5	61	0	0	0	112.2	E694 E696 R701 N702	E694-L698 PolarHBondContact O-N 3.46Å; E696-L698 VanDerWaalsContact C-N 3.29Å; E696-L698 PolarHBondContact O-N 3.1Å; L698-R701 PolarHBondContact O-N 2.64Å; L698-N702 VanDerWaalsContact O-CG 3.31Å; L698-N702 PolarHBondContact O-N 3.44Å; L698-N702 VanDerWaalsContact O-N 3.11Å; L698-N702 PolarHBondContact O-ND2 3.02Å
699	R	94	Very high	90.7	Very high	104 Å²	104	71.8 Å²	71.8	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-56.7	-51.4	173.3	179.3	-175	69.3	79.8	-6.7	111.4	A695 E696 R701 N702 E703	A695-R699 WeakPolarHBondContact O-CB 3.46Å; A695-R699 PolarHBondContact O-N 3.28Å; E696-R699 WeakPolarHBondContact O-CB 3.47Å; E696-R699 PolarHBondContact O-N 3.46Å; E696-R699 IonicContact OE1-CZ 3.26Å; E696-R699 IonicContact OE1-NE 2.68Å; E696-R699 IonicContact OE1-NH2 2.74Å; E696-R699 PolarHBondContact OE1-NH2 3.19Å; R699-R701 PolarHBondContact O-N 3.07Å; R699-N702 PolarHBondContact O-N 2.89Å; R699-E703 VanDerWaalsContact CG-OE1 3.27Å; R699-E703 WeakPolarHBondContact CG-OE1 3.26Å; R699-E703 IonicContact CZ-OE1 2.64Å; R699-E703 VanDerWaalsContact NH1-CD 3.34Å; R699-E703 IonicContact NH1-OE1 3.47Å; R699-E703 PolarHBondContact NH1-OE1 3.35Å; R699-E703 IonicContact NH1-OE2 3.43Å; R699-E703 PolarHBondContact NH1-OE2 3.14Å; R699-E703 WeakPolarHBondContact O-CG 3.34Å; R699-E703 PolarHBondContact O-N 3.4Å
700	L	94.5	Very high	91.3	Very high	7 Å²	7	71.7 Å²	71.7	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-42.6	-179.2	-72.5	173.9	0	0	0	112.2	K600 L603 L604 L607 E696 C697 N702 E703 I704	K600-L700 HydrophobicContact CD-CD2 4.49Å; L603-L700 HydrophobicContact CB-CD1 4.43Å; L604-L700 HydrophobicContact CB-CD1 4.43Å; L604-L700 HydrophobicContact CD1-CB 4.25Å; L607-L700 HydrophobicContact CD1-CD1 3.59Å; E696-L700 HydrophobicContact CG-CD1 4.33Å; E696-L700 WeakPolarHBondContact O-CG 3.46Å; E696-L700 PolarHBondContact O-N 3.28Å; C697-L700 PolarHBondContact O-N 3.49Å; L700-N702 PolarHBondContact O-N 2.8Å; L700-E703 PolarHBondContact O-N 2.95Å; L700-I704 WeakPolarHBondContact O-CB 3.48Å; L700-I704 WeakPolarHBondContact O-CD1 3.45Å; L700-I704 VanDerWaalsContact O-CG1 3.24Å; L700-I704 WeakPolarHBondContact O-CG1 3.41Å; L700-I704 PolarHBondContact O-N 2.72Å
701	R	92.9	Very high	91.9	Very high	128 Å²	128	71.5 Å²	71.5	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-57.8	-45.5	175.2	-72.8	168.4	-178.4	175.2	-1.7	111.9	L604 E608 C697 L698 R699 I704 Q705	L604-R701 HydrophobicContact CD1-CG 4.01Å; L604-R701 HydrophobicContact CD2-CG 3.55Å; L604-R701 HydrophobicContact CG-CG 4.45Å; E608-R701 IonicContact OE1-CZ 3.34Å; E608-R701 VanDerWaalsContact OE1-CZ 3.28Å; E608-R701 IonicContact OE1-NE 3.79Å; E608-R701 PolarHBondContact OE1-NE 3.24Å; E608-R701 VanDerWaalsContact OE1-NE 3.1Å; E608-R701 IonicContact OE1-NH2 2.7Å; E608-R701 PolarHBondContact OE1-NH2 2.79Å; C697-R701 VanDerWaalsContact O-CG 3.26Å; C697-R701 WeakPolarHBondContact O-CG 3.45Å; C697-R701 PolarHBondContact O-N 3.1Å; L698-R701 PolarHBondContact O-N 2.64Å; R699-R701 PolarHBondContact O-N 3.07Å; R701-I704 PolarHBondContact O-N 2.89Å; R701-Q705 PolarHBondContact O-N 3.39Å
702	N	94	Very high	92.3	Very high	92 Å²	92	72.7 Å²	72.7	49%	0.492	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-41.3	177	-69.7	-21.9	0	0	0	112.3	L698 R699 L700 Q705 S706	L698-N702 VanDerWaalsContact O-CG 3.31Å; L698-N702 PolarHBondContact O-N 3.44Å; L698-N702 VanDerWaalsContact O-N 3.11Å; L698-N702 PolarHBondContact O-ND2 3.02Å; R699-N702 PolarHBondContact O-N 2.89Å; L700-N702 PolarHBondContact O-N 2.8Å; N702-Q705 PolarHBondContact O-N 2.98Å; N702-S706 PolarHBondContact O-N 3.43Å
703	E	95.5	Very high	92.6	Very high	56 Å²	56	77.3 Å²	77.3	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-41.2	175.7	-73.1	175.1	-156.8	0	0	112.4	K600 R699 L700 Q705 S706 L707	K600-E703 HydrophobicContact CD-CB 4.46Å; K600-E703 IonicContact NZ-OE2 2.69Å; K600-E703 PolarHBondContact NZ-OE2 3.24Å; R699-E703 VanDerWaalsContact CG-OE1 3.27Å; R699-E703 WeakPolarHBondContact CG-OE1 3.26Å; R699-E703 IonicContact CZ-OE1 2.64Å; R699-E703 VanDerWaalsContact NH1-CD 3.34Å; R699-E703 IonicContact NH1-OE1 3.47Å; R699-E703 PolarHBondContact NH1-OE1 3.35Å; R699-E703 IonicContact NH1-OE2 3.43Å; R699-E703 PolarHBondContact NH1-OE2 3.14Å; R699-E703 WeakPolarHBondContact O-CG 3.34Å; R699-E703 PolarHBondContact O-N 3.4Å; L700-E703 PolarHBondContact O-N 2.95Å; E703-Q705 VanDerWaalsContact C-N 3.33Å; E703-Q705 PolarHBondContact O-N 3.45Å; E703-S706 PolarHBondContact O-N 2.9Å; E703-L707 WeakPolarHBondContact O-CG 3.47Å; E703-L707 PolarHBondContact O-N 3.37Å
704	I	94.8	Very high	93	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-40	175.5	-69.3	157.6	0	0	0	110.8	I597 K600 L604 L700 R701 L707 K708	I597-I704 HydrophobicContact CG2-CG2 4.42Å; K600-I704 HydrophobicContact CB-CD1 3.96Å; K600-I704 HydrophobicContact CB-CG1 3.71Å; L604-I704 HydrophobicContact CB-CD1 4.43Å; L604-I704 HydrophobicContact CD2-CD1 3.85Å; L700-I704 WeakPolarHBondContact O-CB 3.48Å; L700-I704 WeakPolarHBondContact O-CD1 3.45Å; L700-I704 VanDerWaalsContact O-CG1 3.24Å; L700-I704 WeakPolarHBondContact O-CG1 3.41Å; L700-I704 PolarHBondContact O-N 2.72Å; R701-I704 PolarHBondContact O-N 2.89Å; I704-L707 PolarHBondContact O-N 3Å; I704-K708 HydrophobicContact CG2-CD 4.24Å; I704-K708 WeakPolarHBondContact O-CG 3.47Å; I704-K708 PolarHBondContact O-N 3.08Å
705	Q	93.6	Very high	93.2	Very high	131 Å²	131	70.1 Å²	70.1	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-64.3	-44.8	175.4	-174.3	172.7	-6.7	0	0	111.7	R701 N702 E703 L707 K708 S709	R701-Q705 PolarHBondContact O-N 3.39Å; N702-Q705 PolarHBondContact O-N 2.98Å; E703-Q705 VanDerWaalsContact C-N 3.33Å; E703-Q705 PolarHBondContact O-N 3.45Å; Q705-L707 PolarHBondContact O-N 2.88Å; Q705-K708 PolarHBondContact O-N 3Å; Q705-S709 PolarHBondContact O-N 2.91Å; Q705-S709 PolarHBondContact O-OG 3.49Å
706	S	94.8	Very high	93.3	Very high	78 Å²	78	73.4 Å²	73.4	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-43.7	175.3	-174.3	0	0	0	0	112.4	N702 E703 S709 S710	N702-S706 PolarHBondContact O-N 3.43Å; E703-S706 PolarHBondContact O-N 2.9Å; S706-S709 CarbonylContact O-C 3.53Å; S706-S709 PolarHBondContact O-N 3.3Å; S706-S710 PolarHBondContact O-N 3.5Å
707	L	95.9	Very high	93.2	Very high	36 Å²	36	73.1 Å²	73.1	19%	0.188	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-44.4	175.6	-73.7	168.7	0	0	0	112.2	I593 T596 I597 K600 E703 I704 Q705 S709 S710 M711	I593-L707 HydrophobicContact CG2-CB 4.2Å; I593-L707 HydrophobicContact CG2-CD2 4.38Å; I593-L707 WeakPolarHBondContact CG2-O 3.42Å; T596-L707 HydrophobicContact CG2-CD1 3.68Å; T596-L707 HydrophobicContact CG2-CD2 4.43Å; I597-L707 HydrophobicContact CD1-CB 3.94Å; I597-L707 HydrophobicContact CG1-CB 3.68Å; I597-L707 HydrophobicContact CG1-CD1 4.15Å; K600-L707 HydrophobicContact CD-CD1 4.01Å; E703-L707 WeakPolarHBondContact O-CG 3.47Å; E703-L707 PolarHBondContact O-N 3.37Å; I704-L707 PolarHBondContact O-N 3Å; Q705-L707 PolarHBondContact O-N 2.88Å; L707-S709 VanDerWaalsContact C-N 3.33Å; L707-S709 PolarHBondContact O-N 2.93Å; L707-S710 WeakPolarHBondContact O-CA 3.19Å; L707-S710 WeakPolarHBondContact O-CB 3.37Å; L707-S710 PolarHBondContact O-N 3.48Å; L707-M711 PolarHBondContact O-N 2.87Å
708	K	94.2	Very high	93.3	Very high	102 Å²	102	74.7 Å²	74.7	44%	0.443	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-43	174.1	-73	170.7	180	175.8	0	111.7	I597 I704 Q705 S710 M711 I712	I597-K708 HydrophobicContact CD1-CG 3.88Å; I704-K708 HydrophobicContact CG2-CD 4.24Å; I704-K708 WeakPolarHBondContact O-CG 3.47Å; I704-K708 PolarHBondContact O-N 3.08Å; Q705-K708 PolarHBondContact O-N 3Å; K708-S710 PolarHBondContact O-N 3.08Å; K708-M711 WeakPolarHBondContact O-CB 3.37Å; K708-M711 PolarHBondContact O-N 2.84Å; K708-I712 WeakPolarHBondContact O-CG1 3.29Å; K708-I712 PolarHBondContact O-N 3.44Å
709	S	92	Very high	93.2	Very high	63 Å²	63	77.7 Å²	77.7	44%	0.441	38%	0.378	S	S	.	.	H	α-helix	trans	-68.5	-18.2	174	-62.1	0	0	0	0	114.1	Q705 S706 L707 R713	Q705-S709 PolarHBondContact O-N 2.91Å; Q705-S709 PolarHBondContact O-OG 3.49Å; S706-S709 CarbonylContact O-C 3.53Å; S706-S709 PolarHBondContact O-N 3.3Å; L707-S709 VanDerWaalsContact C-N 3.33Å; L707-S709 PolarHBondContact O-N 2.93Å; S709-R713 PolarHBondContact O-NE 2.99Å
710	S	93.4	Very high	92.9	Very high	37 Å²	37	77.5 Å²	77.5	26%	0.259	38%	0.382	S	S	.	.	H	α-helix	trans	-80.3	-46.3	169.3	-154.4	0	0	0	0	111.7	S706 L707 K708 I712 R713 S714	S706-S710 PolarHBondContact O-N 3.5Å; L707-S710 WeakPolarHBondContact O-CA 3.19Å; L707-S710 WeakPolarHBondContact O-CB 3.37Å; L707-S710 PolarHBondContact O-N 3.48Å; K708-S710 PolarHBondContact O-N 3.08Å; S710-I712 VanDerWaalsContact C-N 3.31Å; S710-I712 PolarHBondContact O-N 3.15Å; S710-R713 WeakPolarHBondContact O-CB 3.47Å; S710-R713 PolarHBondContact O-N 3.34Å; S710-S714 PolarHBondContact O-N 3.14Å
711	M	94.6	Very high	92.6	Very high	52 Å²	52	78.1 Å²	78.1	26%	0.256	38%	0.384	S	S	.	.	H	α-helix	trans	-53	-45.8	178.2	-163.7	-175.7	81	0	0	112.4	I590 I593 E594 I597 L707 K708 R713 S714 A715	I590-M711 HydrophobicContact CG2-CG 4.15Å; I593-M711 HydrophobicContact CG2-CB 3.83Å; I593-M711 HydrophobicContact CG2-CG 4.25Å; E594-M711 HydrophobicContact CG-SD 3.7Å; I597-M711 HydrophobicContact CD1-SD 4.34Å; L707-M711 PolarHBondContact O-N 2.87Å; K708-M711 WeakPolarHBondContact O-CB 3.37Å; K708-M711 PolarHBondContact O-N 2.84Å; M711-R713 VanDerWaalsContact C-N 3.3Å; M711-R713 PolarHBondContact O-N 3.39Å; M711-S714 PolarHBondContact O-N 3.1Å; M711-A715 WeakPolarHBondContact O-CB 3.27Å; M711-A715 PolarHBondContact O-N 3.39Å
712	I	93.3	Very high	92.2	Very high	114 Å²	114	73.4 Å²	73.4	59%	0.585	37%	0.371	S	S	*	.	H	α-helix	trans	-62.6	-35	179.4	-66.2	165.8	0	0	0	111.9	K708 S710 A715 K716	K708-I712 WeakPolarHBondContact O-CG1 3.29Å; K708-I712 PolarHBondContact O-N 3.44Å; S710-I712 VanDerWaalsContact C-N 3.31Å; S710-I712 PolarHBondContact O-N 3.15Å; I712-A715 PolarHBondContact O-N 3.13Å; I712-K716 PolarHBondContact O-N 3.36Å
713	R	92.9	Very high	91.9	Very high	161 Å²	161	73.3 Å²	73.3	61%	0.608	37%	0.374	S	S	*	.	H	α-helix	trans	-68.6	-45.1	176.8	-72.9	178	-76.4	151.1	-2.7	111.3	S709 S710 M711 A715 K716 Q717	S709-R713 PolarHBondContact O-NE 2.99Å; S710-R713 WeakPolarHBondContact O-CB 3.47Å; S710-R713 PolarHBondContact O-N 3.34Å; M711-R713 VanDerWaalsContact C-N 3.3Å; M711-R713 PolarHBondContact O-N 3.39Å; R713-A715 VanDerWaalsContact C-N 3.33Å; R713-A715 PolarHBondContact O-N 3.12Å; R713-K716 PolarHBondContact O-N 3.46Å; R713-Q717 PolarHBondContact O-N 3.17Å; R713-Q717 VanDerWaalsContact O-N 3.09Å
714	S	92	Very high	91.3	Very high	13 Å²	13	72.8 Å²	72.8	9%	0.091	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-38.5	174.7	-57.6	0	0	0	0	112.5	S710 M711 K716 Q717 L718	S710-S714 PolarHBondContact O-N 3.14Å; M711-S714 PolarHBondContact O-N 3.1Å; S714-K716 PolarHBondContact O-N 3.04Å; S714-Q717 PolarHBondContact O-N 2.83Å; S714-L718 PolarHBondContact O-N 2.96Å
715	A	91.8	Very high	90.8	Very high	48 Å²	48	74.7 Å²	74.7	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-36.4	175.4	0	0	0	0	0	113	I590 M711 I712 R713 K719	I590-A715 HydrophobicContact CD1-CB 4.19Å; M711-A715 WeakPolarHBondContact O-CB 3.27Å; M711-A715 PolarHBondContact O-N 3.39Å; I712-A715 PolarHBondContact O-N 3.13Å; R713-A715 VanDerWaalsContact C-N 3.33Å; R713-A715 PolarHBondContact O-N 3.12Å; A715-K719 PolarHBondContact O-N 3.27Å
716	K	91.5	Very high	90.4	Very high	128 Å²	128	77.9 Å²	77.9	56%	0.557	39%	0.392	S	S	*	.	H	α-helix	trans	-65.2	-46.9	172.8	-174.7	175.8	-178.3	-81.2	0	111.5	I712 R713 S714 L718 K719 E720	I712-K716 PolarHBondContact O-N 3.36Å; R713-K716 PolarHBondContact O-N 3.46Å; S714-K716 PolarHBondContact O-N 3.04Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 3.26Å; K716-K719 WeakPolarHBondContact O-CB 3.48Å; K716-K719 PolarHBondContact O-N 2.88Å; K716-K719 VanDerWaalsContact O-N 3.12Å; K716-E720 WeakPolarHBondContact CE-OE1 3.4Å; K716-E720 IonicContact NZ-OE1 3.78Å; K716-E720 PolarHBondContact NZ-OE1 2.91Å; K716-E720 IonicContact NZ-OE2 3.3Å; K716-E720 PolarHBondContact O-N 3.49Å
717	Q	89.5	Confident	89.8	Confident	73 Å²	73	80.7 Å²	80.7	34%	0.341	40%	0.395	S	S	.	.	H	α-helix	trans	-58.3	-44.9	177.5	-175.8	-179.4	-14.6	0	0	111.7	C586 R713 S714 K719 E720 E721	C586-Q717 PolarHBondContact SG-NE2 2.79Å; C586-Q717 VanDerWaalsContact SG-NE2 3.37Å; R713-Q717 PolarHBondContact O-N 3.17Å; R713-Q717 VanDerWaalsContact O-N 3.09Å; S714-Q717 PolarHBondContact O-N 2.83Å; Q717-K719 PolarHBondContact O-N 3.34Å; Q717-E720 PolarHBondContact O-N 3.48Å; Q717-E720 VanDerWaalsContact O-N 3.09Å; Q717-E721 HydrophobicContact CG-CG 4.33Å; Q717-E721 WeakPolarHBondContact CG-OE1 3.4Å; Q717-E721 PolarHBondContact NE2-OE1 3.15Å; Q717-E721 WeakPolarHBondContact O-CG 3.35Å; Q717-E721 PolarHBondContact O-N 3.07Å
718	L	92.7	Very high	89.4	Confident	41 Å²	41	80.2 Å²	80.2	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-33.7	176.9	-178.8	58.5	0	0	0	113.1	R583 C586 I590 S714 K716 S722	R583-L718 HydrophobicContact CB-CD1 3.97Å; R583-L718 HydrophobicContact CG-CD1 4.24Å; R583-L718 WeakPolarHBondContact O-CD1 3.42Å; C586-L718 HydrophobicContact CB-CB 4.11Å; C586-L718 HydrophobicContact CB-CD1 4.18Å; I590-L718 HydrophobicContact CD1-CD2 3.96Å; S714-L718 PolarHBondContact O-N 2.96Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 3.26Å; L718-S722 VanDerWaalsContact O-CB 3.23Å; L718-S722 WeakPolarHBondContact O-CB 3.39Å; L718-S722 PolarHBondContact O-N 2.94Å; L718-S722 VanDerWaalsContact O-N 3.15Å; L718-S722 PolarHBondContact O-OG 3.35Å
719	K	88.7	Confident	88.9	Confident	160 Å²	160	82.9 Å²	82.9	70%	0.696	40%	0.398	S	S	*	.	H	α-helix	trans	-69.6	-42.8	175.6	-169.5	177.1	-178.7	177.6	0	111.5	A715 K716 Q717 S722 T723	A715-K719 PolarHBondContact O-N 3.27Å; K716-K719 WeakPolarHBondContact O-CB 3.48Å; K716-K719 PolarHBondContact O-N 2.88Å; K716-K719 VanDerWaalsContact O-N 3.12Å; Q717-K719 PolarHBondContact O-N 3.34Å; K719-S722 PolarHBondContact O-N 3.49Å; K719-T723 PolarHBondContact O-N 2.91Å
720	E	87.7	Confident	88.4	Confident	101 Å²	101	87 Å²	87	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-67.2	-44.1	179.7	-69.4	167.9	-178.9	0	0	111.9	K716 Q717 S722 T723 A724	K716-E720 WeakPolarHBondContact CE-OE1 3.4Å; K716-E720 IonicContact NZ-OE1 3.78Å; K716-E720 PolarHBondContact NZ-OE1 2.91Å; K716-E720 IonicContact NZ-OE2 3.3Å; K716-E720 PolarHBondContact O-N 3.49Å; Q717-E720 PolarHBondContact O-N 3.48Å; Q717-E720 VanDerWaalsContact O-N 3.09Å; E720-S722 VanDerWaalsContact C-N 3.3Å; E720-S722 PolarHBondContact O-N 2.7Å; E720-T723 PolarHBondContact O-N 3.3Å; E720-T723 PolarHBondContact O-OG1 2.86Å; E720-A724 PolarHBondContact O-N 2.77Å
721	E	88.1	Confident	87.8	Confident	20 Å²	20	89.7 Å²	89.7	9%	0.093	42%	0.416	C	S	.	.	H	α-helix	trans	-67.2	-31.8	175.6	-65.9	174.6	173.4	0	0	112.3	R583 Q717 A724 Y725	R583-E721 HydrophobicContact CG-CB 3.64Å; R583-E721 PolarHBondContact N-OE2 3.27Å; Q717-E721 HydrophobicContact CG-CG 4.33Å; Q717-E721 WeakPolarHBondContact CG-OE1 3.4Å; Q717-E721 PolarHBondContact NE2-OE1 3.15Å; Q717-E721 WeakPolarHBondContact O-CG 3.35Å; Q717-E721 PolarHBondContact O-N 3.07Å; E721-A724 PolarHBondContact O-N 2.8Å; E721-Y725 PolarHBondContact O-N 3.43Å; E721-Y725 VanDerWaalsContact O-N 3.1Å
722	S	86.3	Confident	87.2	Confident	29 Å²	29	90.6 Å²	90.6	20%	0.203	42%	0.419	C	S	.	.	H	α-helix	trans	-70.8	-28	177.9	-64.4	0	0	0	0	113.8	R583 L718 K719 E720	R583-S722 PolarHBondContact NE-OG 3.4Å; R583-S722 PolarHBondContact NH2-OG 2.86Å; L718-S722 VanDerWaalsContact O-CB 3.23Å; L718-S722 WeakPolarHBondContact O-CB 3.39Å; L718-S722 PolarHBondContact O-N 2.94Å; L718-S722 VanDerWaalsContact O-N 3.15Å; L718-S722 PolarHBondContact O-OG 3.35Å; K719-S722 PolarHBondContact O-N 3.49Å; E720-S722 VanDerWaalsContact C-N 3.3Å; E720-S722 PolarHBondContact O-N 2.7Å
723	T	85.9	Confident	86.3	Confident	90 Å²	90	89.7 Å²	89.7	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-77.8	-39	172.9	57.8	0	0	0	0	111.5	K719 E720 Y725 R726 K727	K719-T723 PolarHBondContact O-N 2.91Å; E720-T723 PolarHBondContact O-N 3.3Å; E720-T723 PolarHBondContact O-OG1 2.86Å; T723-Y725 VanDerWaalsContact C-N 3.35Å; T723-Y725 PolarHBondContact O-N 3.06Å; T723-R726 PolarHBondContact O-N 3.03Å; T723-K727 PolarHBondContact O-N 3.44Å
724	A	83.9	Confident	85.7	Confident	44 Å²	44	85.7 Å²	85.7	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-57.2	-45.5	174.1	0	0	0	0	0	112.2	L579 E720 E721 R726 K727 W728	L579-A724 HydrophobicContact CD2-CB 3.86Å; E720-A724 PolarHBondContact O-N 2.77Å; E721-A724 PolarHBondContact O-N 2.8Å; A724-R726 VanDerWaalsContact C-N 3.34Å; A724-R726 PolarHBondContact O-N 3.13Å; A724-K727 PolarHBondContact O-N 2.97Å; A724-W728 PolarHBondContact O-N 3.01Å; A724-W728 VanDerWaalsContact O-N 3.11Å
725	Y	84.2	Confident	84.9	Confident	47 Å²	47	89.3 Å²	89.3	18%	0.184	42%	0.421	C	S	.	.	H	α-helix	trans	-60.4	-38.4	177	-173.5	-108.5	0	0	0	113.6	L579 R580 E721 T723 W728 R729	L579-Y725 HydrophobicContact CB-CD2 3.74Å; L579-Y725 HydrophobicContact CD1-CD2 4.46Å; R580-Y725 HydrophobicContact CG-CD2 4.47Å; R580-Y725 HydrophobicContact CG-CE2 3.68Å; R580-Y725 PolarHBondContact NH1-OH 3.07Å; E721-Y725 PolarHBondContact O-N 3.43Å; E721-Y725 VanDerWaalsContact O-N 3.1Å; T723-Y725 VanDerWaalsContact C-N 3.35Å; T723-Y725 PolarHBondContact O-N 3.06Å; Y725-W728 AromaticContact CD2-CE3 3.71Å; Y725-W728 HydrophobicContact CD2-CE3 3.71Å; Y725-W728 AromaticContact CD2-CZ3 3.84Å; Y725-W728 HydrophobicContact CD2-CZ3 3.84Å; Y725-W728 AromaticContact CE2-CE3 3.7Å; Y725-W728 HydrophobicContact CE2-CE3 3.7Å; Y725-W728 HydrophobicContact CE2-CH2 4.27Å; Y725-W728 AromaticContact CE2-CZ3 3.3Å; Y725-W728 HydrophobicContact CE2-CZ3 3.3Å; Y725-W728 AromaticContact CZ-CZ3 3.84Å; Y725-R729 WeakPolarHBondContact O-CB 3.3Å; Y725-R729 PolarHBondContact O-N 3.27Å; Y725-R729 VanDerWaalsContact O-N 3.16Å
726	R	84.4	Confident	84.1	Confident	198 Å²	198	90.5 Å²	90.5	75%	0.747	42%	0.423	S	S	*	.	H	α-helix	trans	-63.3	-42	176.2	-72.5	-179.5	-179.8	-159	-0.3	111.8	T723 A724 K730	T723-R726 PolarHBondContact O-N 3.03Å; A724-R726 VanDerWaalsContact C-N 3.34Å; A724-R726 PolarHBondContact O-N 3.13Å; R726-K730 PolarHBondContact O-N 3.31Å
727	K	83.3	Confident	83.6	Confident	138 Å²	138	90.2 Å²	90.2	60%	0.6	42%	0.422	S	S	*	.	H	α-helix	trans	-64.9	-54.8	179.3	-179.5	178	168.3	179.9	0	111.6	T723 A724 R729 K730 E731	T723-K727 PolarHBondContact O-N 3.44Å; A724-K727 PolarHBondContact O-N 2.97Å; K727-R729 VanDerWaalsContact C-N 3.26Å; K727-R729 PolarHBondContact O-N 3.38Å; K727-K730 PolarHBondContact O-N 3.39Å; K727-K730 VanDerWaalsContact O-N 3.09Å; K727-E731 WeakPolarHBondContact CE-OE1 3.34Å; K727-E731 IonicContact NZ-OE1 3.67Å; K727-E731 PolarHBondContact O-N 3.06Å
728	W	86.4	Confident	83.3	Confident	26 Å²	26	94.1 Å²	94.1	10%	0.098	44%	0.438	C	S	.	.	H	α-helix	trans	-55.5	-40	179.7	158.2	85.8	0	0	0	112.1	D573 W575 L579 A724 Y725 K730 E731 K732	D573-W728 HydrophobicContact CB-CZ2 3.76Å; D573-W728 VanDerWaalsContact CG-CZ2 3.48Å; D573-W728 PolarHBondContact OD1-NE1 2.85Å; D573-W728 WeakPolarHBondContact OD2-CZ2 3.28Å; D573-W728 PolarHBondContact OD2-NE1 3.42Å; W575-W728 HydrophobicContact CE3-CB 4.48Å; W575-W728 AromaticContact CE3-CD1 3.82Å; W575-W728 HydrophobicContact CE3-CG 4.34Å; L579-W728 HydrophobicContact CD1-CB 4.05Å; L579-W728 HydrophobicContact CD1-CD2 4.34Å; L579-W728 HydrophobicContact CD1-CG 4.08Å; A724-W728 PolarHBondContact O-N 3.01Å; A724-W728 VanDerWaalsContact O-N 3.11Å; Y725-W728 AromaticContact CD2-CE3 3.71Å; Y725-W728 HydrophobicContact CD2-CE3 3.71Å; Y725-W728 AromaticContact CD2-CZ3 3.84Å; Y725-W728 HydrophobicContact CD2-CZ3 3.84Å; Y725-W728 AromaticContact CE2-CE3 3.7Å; Y725-W728 HydrophobicContact CE2-CE3 3.7Å; Y725-W728 HydrophobicContact CE2-CH2 4.27Å; Y725-W728 AromaticContact CE2-CZ3 3.3Å; Y725-W728 HydrophobicContact CE2-CZ3 3.3Å; Y725-W728 AromaticContact CZ-CZ3 3.84Å; W728-K730 PolarHBondContact O-N 3.09Å; W728-E731 PolarHBondContact O-N 3.37Å; W728-K732 HydrophobicContact CZ2-CG 4.15Å; W728-K732 PolarHBondContact O-N 3.45Å
729	R	83.5	Confident	82.5	Confident	157 Å²	157	97.4 Å²	97.4	59%	0.592	46%	0.455	S	S	*	.	H	α-helix	trans	-60.8	-43.7	177.4	-177.2	-178.8	173	-175.7	-1.1	112.3	Y725 K727 E731 K732 E733	Y725-R729 WeakPolarHBondContact O-CB 3.3Å; Y725-R729 PolarHBondContact O-N 3.27Å; Y725-R729 VanDerWaalsContact O-N 3.16Å; K727-R729 VanDerWaalsContact C-N 3.26Å; K727-R729 PolarHBondContact O-N 3.38Å; R729-E731 VanDerWaalsContact C-N 3.33Å; R729-K732 PolarHBondContact O-N 2.93Å; R729-E733 PolarHBondContact O-N 3.2Å; R729-E733 VanDerWaalsContact O-N 3.16Å
730	K	82.2	Confident	81.8	Confident	150 Å²	150	95.7 Å²	95.7	65%	0.652	45%	0.45	S	S	*	.	H	α-helix	trans	-65.6	-37.5	179.6	-172.7	170.2	-177.6	171.5	0	111.5	R726 K727 W728	R726-K730 PolarHBondContact O-N 3.31Å; K727-K730 PolarHBondContact O-N 3.39Å; K727-K730 VanDerWaalsContact O-N 3.09Å; W728-K730 PolarHBondContact O-N 3.09Å
731	E	80.1	Confident	81.4	Confident	94 Å²	94	94 Å²	94	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-51.3	176.3	-69.2	168.3	168.5	0	0	110.9	K727 W728 R729 E733 T734 E735	K727-E731 WeakPolarHBondContact CE-OE1 3.34Å; K727-E731 IonicContact NZ-OE1 3.67Å; K727-E731 PolarHBondContact O-N 3.06Å; W728-E731 PolarHBondContact O-N 3.37Å; R729-E731 VanDerWaalsContact C-N 3.33Å; E731-E733 PolarHBondContact O-N 3.42Å; E731-T734 PolarHBondContact O-N 3.38Å; E731-T734 VanDerWaalsContact O-N 3.09Å; E731-T734 PolarHBondContact O-OG1 2.95Å; E731-E735 PolarHBondContact O-N 3.28Å
732	K	82	Confident	80.9	Confident	70 Å²	70	98.5 Å²	98.5	30%	0.304	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-34.2	-177.5	-76.6	-74.6	162.2	-172.4	0	114.5	D573 W728 R729 T734 E735 V736	D573-K732 WeakPolarHBondContact OD2-CD 3.32Å; D573-K732 WeakPolarHBondContact OD2-CE 3.28Å; D573-K732 WeakPolarHBondContact OD2-CG 3.46Å; D573-K732 IonicContact OD2-NZ 3.03Å; W728-K732 HydrophobicContact CZ2-CG 4.15Å; W728-K732 PolarHBondContact O-N 3.45Å; R729-K732 PolarHBondContact O-N 2.93Å; K732-T734 PolarHBondContact O-N 2.83Å; K732-E735 WeakPolarHBondContact CD-OE2 3.5Å; K732-E735 WeakPolarHBondContact CE-OE2 3.4Å; K732-E735 VanDerWaalsContact NZ-CD 3.29Å; K732-E735 IonicContact NZ-OE1 2.92Å; K732-E735 PolarHBondContact NZ-OE1 3.37Å; K732-E735 VanDerWaalsContact NZ-OE1 3.17Å; K732-E735 IonicContact NZ-OE2 3.91Å; K732-E735 PolarHBondContact NZ-OE2 3.43Å; K732-E735 WeakPolarHBondContact O-CB 3.38Å; K732-E735 PolarHBondContact O-N 3.45Å; K732-E735 VanDerWaalsContact O-N 3.12Å; K732-V736 PolarHBondContact O-N 2.86Å; K732-V736 VanDerWaalsContact O-N 3.17Å
733	E	74.7	Confident	80.4	Confident	96 Å²	96	102 Å²	102	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-61.9	-31.2	175.1	-159.3	-169.3	124.8	0	0	112.5	R729 E731 K737	R729-E733 PolarHBondContact O-N 3.2Å; R729-E733 VanDerWaalsContact O-N 3.16Å; E731-E733 PolarHBondContact O-N 3.42Å; E733-K737 WeakPolarHBondContact O-CG 3.4Å; E733-K737 WeakPolarHBondContact OE1-CE 3.37Å; E733-K737 IonicContact OE1-NZ 2.6Å; E733-K737 PolarHBondContact OE1-NZ 3.15Å
734	T	79.9	Confident	80.1	Confident	77 Å²	77	104.3 Å²	104.3	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-79.7	-18.5	176.4	71	0	0	0	0	114	E731 K732 K738	E731-T734 PolarHBondContact O-N 3.38Å; E731-T734 VanDerWaalsContact O-N 3.09Å; E731-T734 PolarHBondContact O-OG1 2.95Å; K732-T734 PolarHBondContact O-N 2.83Å; T734-K738 WeakPolarHBondContact O-CG 3.41Å
735	E	76.9	Confident	79.7	Confident	88 Å²	88	109.6 Å²	109.6	41%	0.411	49%	0.488	S	S	.	.	H	α-helix	trans	-80.3	-47.8	176.9	-169.3	178.9	159.3	0	0	110.6	E731 K732 K737 K738 L739	E731-E735 PolarHBondContact O-N 3.28Å; K732-E735 WeakPolarHBondContact CD-OE2 3.5Å; K732-E735 WeakPolarHBondContact CE-OE2 3.4Å; K732-E735 VanDerWaalsContact NZ-CD 3.29Å; K732-E735 IonicContact NZ-OE1 2.92Å; K732-E735 PolarHBondContact NZ-OE1 3.37Å; K732-E735 VanDerWaalsContact NZ-OE1 3.17Å; K732-E735 IonicContact NZ-OE2 3.91Å; K732-E735 PolarHBondContact NZ-OE2 3.43Å; K732-E735 WeakPolarHBondContact O-CB 3.38Å; K732-E735 PolarHBondContact O-N 3.45Å; K732-E735 VanDerWaalsContact O-N 3.12Å; E735-K737 VanDerWaalsContact C-N 3.32Å; E735-K737 PolarHBondContact O-N 3.22Å; E735-K738 WeakPolarHBondContact O-CB 3.49Å; E735-K738 PolarHBondContact O-N 3.07Å; E735-L739 PolarHBondContact O-N 3.26Å
736	V	74	Confident	79.2	Confident	73 Å²	73	111.5 Å²	111.5	44%	0.442	50%	0.501	S	S	.	.	H	α-helix	trans	-56.1	-45.2	177.9	173.9	0	0	0	0	111.7	K732 K738 L739 Q740	K732-V736 PolarHBondContact O-N 2.86Å; K732-V736 VanDerWaalsContact O-N 3.17Å; V736-K738 PolarHBondContact O-N 3.16Å; V736-L739 PolarHBondContact O-N 3.41Å; V736-L739 VanDerWaalsContact O-N 3.14Å; V736-Q740 HydrophobicContact CG1-CG 4.38Å; V736-Q740 WeakPolarHBondContact O-CG 3.4Å; V736-Q740 PolarHBondContact O-N 3.37Å; V736-Q740 VanDerWaalsContact O-N 3.1Å
737	K	80.2	Confident	78.6	Confident	123 Å²	123	108.4 Å²	108.4	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-24.9	179	-69.3	173.8	-172.2	172.6	0	113.6	E733 E735	E733-K737 WeakPolarHBondContact O-CG 3.4Å; E733-K737 WeakPolarHBondContact OE1-CE 3.37Å; E733-K737 IonicContact OE1-NZ 2.6Å; E733-K737 PolarHBondContact OE1-NZ 3.15Å; E735-K737 VanDerWaalsContact C-N 3.32Å; E735-K737 PolarHBondContact O-N 3.22Å
738	K	83.4	Confident	78.1	Confident	154 Å²	154	105.9 Å²	105.9	67%	0.67	49%	0.494	S	S	*	.	H	α-helix	trans	-81.5	-38	175.3	-67.6	170.9	-176.1	172.5	0	112.2	T734 E735 V736 H742	T734-K738 WeakPolarHBondContact O-CG 3.41Å; E735-K738 WeakPolarHBondContact O-CB 3.49Å; E735-K738 PolarHBondContact O-N 3.07Å; V736-K738 PolarHBondContact O-N 3.16Å; K738-H742 PolarHBondContact O-N 3.44Å
739	L	76.1	Confident	77.5	Confident	110 Å²	110	110.8 Å²	110.8	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-67.3	-41.1	179.2	-66.9	172	0	0	0	111.7	E735 V736 E741 H742 D743	E735-L739 PolarHBondContact O-N 3.26Å; V736-L739 PolarHBondContact O-N 3.41Å; V736-L739 VanDerWaalsContact O-N 3.14Å; L739-E741 VanDerWaalsContact C-N 3.35Å; L739-E741 PolarHBondContact O-N 2.64Å; L739-H742 WeakPolarHBondContact O-CB 3.49Å; L739-H742 PolarHBondContact O-N 3.01Å; L739-H742 VanDerWaalsContact O-N 3.07Å; L739-D743 PolarHBondContact O-N 3.05Å
740	Q	75.2	Confident	76.4	Confident	125 Å²	125	109.6 Å²	109.6	58%	0.584	52%	0.52	S	S	*	.	H	α-helix	trans	-59.9	-40.5	178.2	-71.4	173.2	-39.7	0	0	113	V736 H742 R744	V736-Q740 HydrophobicContact CG1-CG 4.38Å; V736-Q740 WeakPolarHBondContact O-CG 3.4Å; V736-Q740 PolarHBondContact O-N 3.37Å; V736-Q740 VanDerWaalsContact O-N 3.1Å; Q740-H742 VanDerWaalsContact C-N 3.3Å; Q740-H742 PolarHBondContact O-N 3.5Å; Q740-R744 WeakPolarHBondContact O-CB 3.47Å; Q740-R744 PolarHBondContact O-N 2.91Å
741	E	78.7	Confident	75.8	Confident	65 Å²	65	106.5 Å²	106.5	30%	0.304	52%	0.518	S	S	.	.	H	α-helix	trans	-74.5	-17.8	176.6	173.7	52.9	-163.4	0	0	113.3	L739 R744 R745	L739-E741 VanDerWaalsContact C-N 3.35Å; L739-E741 PolarHBondContact O-N 2.64Å; E741-R744 VanDerWaalsContact CD-NH2 3.3Å; E741-R744 IonicContact OE1-NH2 2.66Å; E741-R744 PolarHBondContact OE1-NH2 2.84Å; E741-R744 IonicContact OE2-CZ 2.69Å; E741-R744 IonicContact OE2-NE 2.57Å; E741-R744 PolarHBondContact OE2-NE 2.91Å; E741-R744 IonicContact OE2-NH2 2.68Å; E741-R744 PolarHBondContact OE2-NH2 3.28Å; E741-R745 WeakPolarHBondContact O-CD 3.46Å; E741-R745 WeakPolarHBondContact O-CG 3.37Å; E741-R745 PolarHBondContact O-NE 3.1Å; E741-R745 IonicContact OE1-CZ 3.35Å; E741-R745 IonicContact OE1-NE 3.13Å; E741-R745 PolarHBondContact OE1-NE 3.42Å; E741-R745 IonicContact OE1-NH2 2.65Å; E741-R745 PolarHBondContact OE1-NH2 2.87Å
742	H	78	Confident	75.6	Confident	114 Å²	114	110.6 Å²	110.6	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-80.5	-48.3	172.6	-172.4	-85.1	0	0	0	111.6	K738 L739 Q740 R744 R745 L746	K738-H742 PolarHBondContact O-N 3.44Å; L739-H742 WeakPolarHBondContact O-CB 3.49Å; L739-H742 PolarHBondContact O-N 3.01Å; L739-H742 VanDerWaalsContact O-N 3.07Å; Q740-H742 VanDerWaalsContact C-N 3.3Å; Q740-H742 PolarHBondContact O-N 3.5Å; H742-R744 VanDerWaalsContact C-N 3.35Å; H742-R744 PolarHBondContact O-N 2.76Å; H742-R745 WeakPolarHBondContact O-CB 3.31Å; H742-R745 PolarHBondContact O-N 3.39Å; H742-R745 VanDerWaalsContact O-N 3.09Å; H742-L746 PolarHBondContact O-N 3.12Å
743	D	75.1	Confident	74.3	Confident	103 Å²	103	113.3 Å²	113.3	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-57.9	-45.6	-179.7	-171.8	57	0	0	0	112.1	L739 R745 L746 Q747	L739-D743 PolarHBondContact O-N 3.05Å; D743-R745 PolarHBondContact O-N 2.94Å; D743-L746 PolarHBondContact O-N 3.4Å; D743-L746 VanDerWaalsContact O-N 3.13Å; D743-Q747 PolarHBondContact O-N 3.3Å; D743-Q747 VanDerWaalsContact O-N 3.07Å
744	R	80.4	Confident	73.8	Confident	139 Å²	139	113.3 Å²	113.3	53%	0.525	55%	0.551	S	S	.	*	H	α-helix	trans	-52.5	-31.5	175.3	-168.1	-179.6	71.1	87.1	-0.3	113.7	Q740 E741 H742 C748	Q740-R744 WeakPolarHBondContact O-CB 3.47Å; Q740-R744 PolarHBondContact O-N 2.91Å; E741-R744 VanDerWaalsContact CD-NH2 3.3Å; E741-R744 IonicContact OE1-NH2 2.66Å; E741-R744 PolarHBondContact OE1-NH2 2.84Å; E741-R744 IonicContact OE2-CZ 2.69Å; E741-R744 IonicContact OE2-NE 2.57Å; E741-R744 PolarHBondContact OE2-NE 2.91Å; E741-R744 IonicContact OE2-NH2 2.68Å; E741-R744 PolarHBondContact OE2-NH2 3.28Å; H742-R744 VanDerWaalsContact C-N 3.35Å; H742-R744 PolarHBondContact O-N 2.76Å; R744-C748 PolarHBondContact O-SG 2.89Å; R744-C748 VanDerWaalsContact O-SG 3.37Å
745	R	75.8	Confident	73.3	Confident	154 Å²	154	111.5 Å²	111.5	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-78.8	-45.4	179.6	-64.1	170.1	-175.7	-161.9	0.8	111.8	E741 H742 D743 Q747 C748 E749	E741-R745 WeakPolarHBondContact O-CD 3.46Å; E741-R745 WeakPolarHBondContact O-CG 3.37Å; E741-R745 PolarHBondContact O-NE 3.1Å; E741-R745 IonicContact OE1-CZ 3.35Å; E741-R745 IonicContact OE1-NE 3.13Å; E741-R745 PolarHBondContact OE1-NE 3.42Å; E741-R745 IonicContact OE1-NH2 2.65Å; E741-R745 PolarHBondContact OE1-NH2 2.87Å; H742-R745 WeakPolarHBondContact O-CB 3.31Å; H742-R745 PolarHBondContact O-N 3.39Å; H742-R745 VanDerWaalsContact O-N 3.09Å; D743-R745 PolarHBondContact O-N 2.94Å; R745-Q747 VanDerWaalsContact C-N 3.28Å; R745-Q747 PolarHBondContact O-N 3.36Å; R745-C748 PolarHBondContact O-N 3.07Å; R745-E749 PolarHBondContact O-N 3.45Å
746	L	73.1	Confident	73	Confident	87 Å²	87	110.4 Å²	110.4	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-59.7	-40.5	177.4	-65.5	178.9	0	0	0	111.6	H742 D743 C748 E749 M750	H742-L746 PolarHBondContact O-N 3.12Å; D743-L746 PolarHBondContact O-N 3.4Å; D743-L746 VanDerWaalsContact O-N 3.13Å; L746-C748 PolarHBondContact O-N 3.35Å; L746-E749 PolarHBondContact O-N 3.39Å; L746-M750 WeakPolarHBondContact O-CB 3.32Å; L746-M750 PolarHBondContact O-N 3.36Å
747	Q	71.2	Confident	72.8	Confident	133 Å²	133	112.1 Å²	112.1	62%	0.621	54%	0.543	S	S	*	.	H	α-helix	trans	-62.8	-40.4	-179.7	-161.5	178.2	28.1	0	0	112.4	D743 R745 S751	D743-Q747 PolarHBondContact O-N 3.3Å; D743-Q747 VanDerWaalsContact O-N 3.07Å; R745-Q747 VanDerWaalsContact C-N 3.28Å; R745-Q747 PolarHBondContact O-N 3.36Å; Q747-S751 WeakPolarHBondContact O-CB 3.41Å; Q747-S751 PolarHBondContact O-N 3.28Å
748	C	72.8	Confident	72.2	Confident	85 Å²	85	112 Å²	112	57%	0.574	55%	0.545	S	S	*	.	H	α-helix	trans	-65.3	-41.3	174.5	-68	0	0	0	0	112.7	R744 R745 L746 R752	R744-C748 PolarHBondContact O-SG 2.89Å; R744-C748 VanDerWaalsContact O-SG 3.37Å; R745-C748 PolarHBondContact O-N 3.07Å; L746-C748 PolarHBondContact O-N 3.35Å; C748-R752 PolarHBondContact O-N 3.23Å
749	E	73.3	Confident	71.5	Confident	129 Å²	129	112.7 Å²	112.7	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-70.7	-41.9	-178.3	-173.5	158.6	-146.6	0	0	112.4	R745 L746 R752 M753	R745-E749 PolarHBondContact O-N 3.45Å; L746-E749 PolarHBondContact O-N 3.39Å; E749-R752 WeakPolarHBondContact O-CB 3.43Å; E749-R752 PolarHBondContact O-N 3.02Å; E749-M753 WeakPolarHBondContact O-CG 3.46Å; E749-M753 PolarHBondContact O-N 3.43Å; E749-M753 VanDerWaalsContact O-N 3.12Å
750	M	61.4	Low	70.9	Confident	132 Å²	132	112.9 Å²	112.9	65%	0.65	54%	0.541	S	S	*	.	H	α-helix	trans	-65.8	-40.8	177.7	-176.7	155.5	52.1	0	0	112.4	L746 R752 M753 V754	L746-M750 WeakPolarHBondContact O-CB 3.32Å; L746-M750 PolarHBondContact O-N 3.36Å; M750-R752 VanDerWaalsContact C-N 3.32Å; M750-R752 PolarHBondContact O-N 2.8Å; M750-M753 PolarHBondContact O-N 3.14Å; M750-M753 VanDerWaalsContact O-N 3.16Å; M750-V754 PolarHBondContact O-N 3.06Å; M750-V754 VanDerWaalsContact O-N 3.15Å
751	S	69.7	Low	70.4	Confident	85 Å²	85	112.4 Å²	112.4	59%	0.594	54%	0.539	S	S	*	.	H	α-helix	trans	-57.7	-43.8	174.3	-179.7	0	0	0	0	112.2	Q747 M753 S755	Q747-S751 WeakPolarHBondContact O-CB 3.41Å; Q747-S751 PolarHBondContact O-N 3.28Å; S751-M753 PolarHBondContact O-N 3.39Å; S751-S755 PolarHBondContact O-N 3.34Å
752	R	75.7	Confident	70.1	Confident	180 Å²	180	112.1 Å²	112.1	68%	0.679	54%	0.542	S	S	*	.	H	α-helix	trans	-60.4	-41.5	174.9	168.3	-177.7	158.8	83.2	3.4	112.4	C748 E749 M750 V756	C748-R752 PolarHBondContact O-N 3.23Å; E749-R752 WeakPolarHBondContact O-CB 3.43Å; E749-R752 PolarHBondContact O-N 3.02Å; M750-R752 VanDerWaalsContact C-N 3.32Å; M750-R752 PolarHBondContact O-N 2.8Å; R752-V756 WeakPolarHBondContact O-CG2 3.49Å; R752-V756 PolarHBondContact O-N 3.1Å
753	M	54.3	Low	69.9	Low	128 Å²	128	110.2 Å²	110.2	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-67.4	-44.6	-178.4	-72.4	-66.5	-75.6	0	0	112.6	E749 M750 S751 S755 V756 H757	E749-M753 WeakPolarHBondContact O-CG 3.46Å; E749-M753 PolarHBondContact O-N 3.43Å; E749-M753 VanDerWaalsContact O-N 3.12Å; M750-M753 PolarHBondContact O-N 3.14Å; M750-M753 VanDerWaalsContact O-N 3.16Å; S751-M753 PolarHBondContact O-N 3.39Å; M753-S755 PolarHBondContact O-N 2.99Å; M753-V756 PolarHBondContact O-N 3.22Å; M753-H757 PolarHBondContact O-N 3.47Å
754	V	63.9	Low	69.7	Low	95 Å²	95	110.5 Å²	110.5	58%	0.576	54%	0.539	S	S	*	.	H	α-helix	trans	-59	-47.5	179.3	174.6	0	0	0	0	111.2	M750 V756 H757 E758	M750-V754 PolarHBondContact O-N 3.06Å; M750-V754 VanDerWaalsContact O-N 3.15Å; V754-V756 PolarHBondContact O-N 3.42Å; V754-H757 PolarHBondContact O-N 3.24Å; V754-H757 VanDerWaalsContact O-N 3.11Å; V754-E758 PolarHBondContact O-N 3.03Å
755	S	70.7	Confident	69.5	Low	39 Å²	39	110.3 Å²	110.3	27%	0.273	54%	0.542	S	S	.	.	H	α-helix	trans	-65.7	-19.5	-178.8	-164.5	0	0	0	0	113.8	S751 M753 R759	S751-S755 PolarHBondContact O-N 3.34Å; M753-S755 PolarHBondContact O-N 2.99Å; S755-R759 VanDerWaalsContact O-CD 3.24Å; S755-R759 WeakPolarHBondContact O-CD 3.48Å; S755-R759 VanDerWaalsContact O-CG 3.24Å; S755-R759 WeakPolarHBondContact O-CG 3.46Å; S755-R759 PolarHBondContact O-NE 3.01Å; S755-R759 PolarHBondContact OG-NH2 2.98Å
756	V	70.1	Confident	69.5	Low	65 Å²	65	111.2 Å²	111.2	39%	0.394	55%	0.545	S	S	.	.	H	α-helix	trans	-79.2	-39.7	173	172	0	0	0	0	111.3	R752 M753 V754 Q760	R752-V756 WeakPolarHBondContact O-CG2 3.49Å; R752-V756 PolarHBondContact O-N 3.1Å; M753-V756 PolarHBondContact O-N 3.22Å; V754-V756 PolarHBondContact O-N 3.42Å; V756-Q760 WeakPolarHBondContact O-CG 3.37Å; V756-Q760 PolarHBondContact O-N 3Å
757	H	69.2	Low	69.7	Low	109 Å²	109	113.6 Å²	113.6	51%	0.505	55%	0.548	S	S	.	.	H	α-helix	trans	-67.6	-45.4	-176.4	-171.1	77.6	0	0	0	112.7	M753 V754 R759 Q760 Q761	M753-H757 PolarHBondContact O-N 3.47Å; V754-H757 PolarHBondContact O-N 3.24Å; V754-H757 VanDerWaalsContact O-N 3.11Å; H757-R759 VanDerWaalsContact C-N 3.3Å; H757-R759 PolarHBondContact O-N 3.45Å; H757-Q760 WeakPolarHBondContact O-CB 3.42Å; H757-Q760 PolarHBondContact O-N 2.88Å; H757-Q761 PolarHBondContact CD2-NE2 3.33Å; H757-Q761 PolarHBondContact NE2-NE2 3.32Å; H757-Q761 PolarHBondContact O-N 2.72Å; H757-Q761 VanDerWaalsContact O-N 3.12Å
758	E	67.8	Low	69.9	Low	122 Å²	122	111.7 Å²	111.7	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-56.1	-41.9	178.1	-177.4	-176	-160.1	0	0	112.7	V754 Q760 Q761 T762	V754-E758 PolarHBondContact O-N 3.03Å; E758-Q760 VanDerWaalsContact C-N 3.33Å; E758-Q760 PolarHBondContact O-N 2.89Å; E758-Q761 PolarHBondContact O-N 3.01Å; E758-T762 WeakPolarHBondContact O-CB 3.49Å; E758-T762 PolarHBondContact O-N 3.48Å; E758-T762 VanDerWaalsContact O-N 3.12Å; E758-T762 PolarHBondContact O-OG1 2.89Å
759	R	69.6	Low	70.2	Confident	167 Å²	167	112.3 Å²	112.3	63%	0.63	54%	0.536	S	S	*	.	H	α-helix	trans	-63	-38.5	176.9	-64.7	173.1	-153.6	-149.9	2.6	111.7	S755 H757 V763	S755-R759 VanDerWaalsContact O-CD 3.24Å; S755-R759 WeakPolarHBondContact O-CD 3.48Å; S755-R759 VanDerWaalsContact O-CG 3.24Å; S755-R759 WeakPolarHBondContact O-CG 3.46Å; S755-R759 PolarHBondContact O-NE 3.01Å; S755-R759 PolarHBondContact OG-NH2 2.98Å; H757-R759 VanDerWaalsContact C-N 3.3Å; H757-R759 PolarHBondContact O-N 3.45Å; R759-V763 WeakPolarHBondContact O-CG2 3.46Å; R759-V763 PolarHBondContact O-N 3.25Å
760	Q	63	Low	70.4	Confident	115 Å²	115	108.3 Å²	108.3	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-46.8	179.4	-68.1	177.8	7.3	0	0	111.7	V756 H757 E758 T762 V763 L764	V756-Q760 WeakPolarHBondContact O-CG 3.37Å; V756-Q760 PolarHBondContact O-N 3Å; H757-Q760 WeakPolarHBondContact O-CB 3.42Å; H757-Q760 PolarHBondContact O-N 2.88Å; E758-Q760 VanDerWaalsContact C-N 3.33Å; E758-Q760 PolarHBondContact O-N 2.89Å; Q760-T762 VanDerWaalsContact C-N 3.32Å; Q760-T762 PolarHBondContact O-N 3.05Å; Q760-V763 PolarHBondContact O-N 2.96Å; Q760-L764 PolarHBondContact O-N 2.7Å
761	Q	64.9	Low	71.1	Confident	114 Å²	114	102.4 Å²	102.4	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-57.2	-45.4	176.3	-66.6	-167.4	2.2	0	0	111.8	H757 E758 V763 L764 K765	H757-Q761 PolarHBondContact CD2-NE2 3.33Å; H757-Q761 PolarHBondContact NE2-NE2 3.32Å; H757-Q761 PolarHBondContact O-N 2.72Å; H757-Q761 VanDerWaalsContact O-N 3.12Å; E758-Q761 PolarHBondContact O-N 3.01Å; Q761-V763 VanDerWaalsContact C-N 3.3Å; Q761-V763 PolarHBondContact O-N 2.91Å; Q761-L764 PolarHBondContact O-N 3.45Å; Q761-L764 VanDerWaalsContact O-N 3.16Å; Q761-K765 PolarHBondContact O-N 2.89Å; Q761-K765 VanDerWaalsContact O-N 3.15Å
762	T	71.7	Confident	71.5	Confident	60 Å²	60	100 Å²	100	37%	0.368	48%	0.483	S	S	.	.	H	α-helix	trans	-60	-37.1	-178.8	-59.1	0	0	0	0	112.7	E758 Q760 R766	E758-T762 WeakPolarHBondContact O-CB 3.49Å; E758-T762 PolarHBondContact O-N 3.48Å; E758-T762 VanDerWaalsContact O-N 3.12Å; E758-T762 PolarHBondContact O-OG1 2.89Å; Q760-T762 VanDerWaalsContact C-N 3.32Å; Q760-T762 PolarHBondContact O-N 3.05Å; T762-R766 WeakPolarHBondContact O-CG 3.46Å
763	V	74.9	Confident	71.7	Confident	74 Å²	74	92.7 Å²	92.7	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-71	-38.1	177.2	171.1	0	0	0	0	111.9	R759 Q760 Q761 R767	R759-V763 WeakPolarHBondContact O-CG2 3.46Å; R759-V763 PolarHBondContact O-N 3.25Å; Q760-V763 PolarHBondContact O-N 2.96Å; Q761-V763 VanDerWaalsContact C-N 3.3Å; Q761-V763 PolarHBondContact O-N 2.91Å; V763-R767 WeakPolarHBondContact O-CG 3.49Å; V763-R767 PolarHBondContact O-N 3.2Å
764	L	71.1	Confident	72.9	Confident	109 Å²	109	86.8 Å²	86.8	57%	0.571	43%	0.432	S	S	*	.	H	α-helix	trans	-66.7	-45.1	-180	-68.8	173.7	0	0	0	112.1	Q760 Q761 R766 R767 I768	Q760-L764 PolarHBondContact O-N 2.7Å; Q761-L764 PolarHBondContact O-N 3.45Å; Q761-L764 VanDerWaalsContact O-N 3.16Å; L764-R766 PolarHBondContact O-N 3.08Å; L764-R767 PolarHBondContact O-N 3.34Å; L764-I768 PolarHBondContact O-N 2.83Å
765	K	75.3	Confident	73.5	Confident	134 Å²	134	84.6 Å²	84.6	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-55.4	-51.9	179	179	170.6	175.8	175.3	0	112.1	Q761 R767 I768 E769	Q761-K765 PolarHBondContact O-N 2.89Å; Q761-K765 VanDerWaalsContact O-N 3.15Å; K765-R767 VanDerWaalsContact C-N 3.25Å; K765-R767 PolarHBondContact O-N 3.34Å; K765-I768 PolarHBondContact O-N 2.84Å; K765-E769 WeakPolarHBondContact CE-OE1 3.47Å; K765-E769 WeakPolarHBondContact CG-OE1 3.33Å; K765-E769 WeakPolarHBondContact O-CG 3.44Å; K765-E769 PolarHBondContact O-N 3.33Å; K765-E769 VanDerWaalsContact O-N 3.13Å
766	R	76.2	Confident	74.1	Confident	174 Å²	174	90.2 Å²	90.2	66%	0.657	43%	0.431	S	S	*	.	H	α-helix	trans	-58.9	-33.4	180	-66.3	177.2	-174.2	-173.5	2.7	113.1	T762 L764 A770	T762-R766 WeakPolarHBondContact O-CG 3.46Å; L764-R766 PolarHBondContact O-N 3.08Å; R766-A770 WeakPolarHBondContact O-CB 3.44Å; R766-A770 PolarHBondContact O-N 3.02Å
767	R	76	Confident	74.6	Confident	137 Å²	137	94.7 Å²	94.7	52%	0.517	44%	0.441	S	S	.	.	H	α-helix	trans	-70.4	-41.4	179.1	-73.4	173.4	175	-150.5	-4.7	112.5	V763 L764 K765 A771	V763-R767 WeakPolarHBondContact O-CG 3.49Å; V763-R767 PolarHBondContact O-N 3.2Å; L764-R767 PolarHBondContact O-N 3.34Å; K765-R767 VanDerWaalsContact C-N 3.25Å; K765-R767 PolarHBondContact O-N 3.34Å; R767-A771 PolarHBondContact O-N 3.32Å
768	I	76.4	Confident	75.2	Confident	93 Å²	93	89.6 Å²	89.6	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-44.9	177.1	-65.5	162.1	0	0	0	110.3	L764 K765 A770 A771 A772	L764-I768 PolarHBondContact O-N 2.83Å; K765-I768 PolarHBondContact O-N 2.84Å; I768-A770 VanDerWaalsContact C-N 3.32Å; I768-A770 PolarHBondContact O-N 3.49Å; I768-A771 PolarHBondContact O-N 3.12Å; I768-A772 WeakPolarHBondContact O-CB 3.47Å; I768-A772 PolarHBondContact O-N 3.46Å
769	E	78.4	Confident	75.9	Confident	97 Å²	97	90.2 Å²	90.2	45%	0.453	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-39.7	178.4	-70.2	167.9	166.1	0	0	112.4	K765 A773	K765-E769 WeakPolarHBondContact CE-OE1 3.47Å; K765-E769 WeakPolarHBondContact CG-OE1 3.33Å; K765-E769 WeakPolarHBondContact O-CG 3.44Å; K765-E769 PolarHBondContact O-N 3.33Å; K765-E769 VanDerWaalsContact O-N 3.13Å; E769-A773 WeakPolarHBondContact O-CB 3.24Å; E769-A773 PolarHBondContact O-N 3.33Å
770	A	78	Confident	76.6	Confident	46 Å²	46	86.7 Å²	86.7	38%	0.38	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-48.2	176.7	0	0	0	0	0	112.7	R766 I768 A772 A773 A774	R766-A770 WeakPolarHBondContact O-CB 3.44Å; R766-A770 PolarHBondContact O-N 3.02Å; I768-A770 VanDerWaalsContact C-N 3.32Å; I768-A770 PolarHBondContact O-N 3.49Å; A770-A772 PolarHBondContact O-N 2.82Å; A770-A773 WeakPolarHBondContact O-CB 3.29Å; A770-A773 PolarHBondContact O-N 2.88Å; A770-A773 VanDerWaalsContact O-N 3.1Å; A770-A774 PolarHBondContact O-N 3.16Å
771	A	76	Confident	77.5	Confident	8 Å²	8	82.3 Å²	82.3	7%	0.066	39%	0.389	C	S	.	.	H	α-helix	trans	-61.8	-45.9	178.2	0	0	0	0	0	111.8	R767 I768 A773 A774 E775 F835	R767-A771 PolarHBondContact O-N 3.32Å; I768-A771 PolarHBondContact O-N 3.12Å; A771-A773 PolarHBondContact O-N 3.32Å; A771-A774 PolarHBondContact O-N 3.29Å; A771-E775 WeakPolarHBondContact O-CB 3.48Å; A771-E775 PolarHBondContact O-N 2.86Å; A771-F835 HydrophobicContact CB-CE2 3.63Å; A771-F835 HydrophobicContact CB-CZ 3.68Å
772	A	78.3	Confident	78.2	Confident	35 Å²	35	78.3 Å²	78.3	29%	0.289	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-22.1	175.6	0	0	0	0	0	112.9	I768 A770 R776	I768-A772 WeakPolarHBondContact O-CB 3.47Å; I768-A772 PolarHBondContact O-N 3.46Å; A770-A772 PolarHBondContact O-N 2.82Å; A772-R776 WeakPolarHBondContact O-CG 3.49Å; A772-R776 PolarHBondContact O-N 3.3Å; A772-R776 PolarHBondContact O-NE 3.4Å
773	A	80.2	Confident	78.6	Confident	25 Å²	25	80 Å²	80	21%	0.207	38%	0.377	C	S	.	.	H	α-helix	trans	-77.5	-42.2	171.9	0	0	0	0	0	112.6	E769 A770 A771 E775 R776 R777	E769-A773 WeakPolarHBondContact O-CB 3.24Å; E769-A773 PolarHBondContact O-N 3.33Å; A770-A773 WeakPolarHBondContact O-CB 3.29Å; A770-A773 PolarHBondContact O-N 2.88Å; A770-A773 VanDerWaalsContact O-N 3.1Å; A771-A773 PolarHBondContact O-N 3.32Å; A773-E775 VanDerWaalsContact C-N 3.34Å; A773-R776 PolarHBondContact O-N 2.96Å; A773-R777 VanDerWaalsContact O-CG 3.3Å; A773-R777 WeakPolarHBondContact O-CG 3.39Å; A773-R777 PolarHBondContact O-N 3.23Å; A773-R777 VanDerWaalsContact O-N 3.15Å
774	A	78.6	Confident	78.7	Confident	5 Å²	5	82.2 Å²	82.2	4%	0.041	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-42.8	174.1	0	0	0	0	0	111.7	A770 A771 R777 L778 A827 V828	A770-A774 PolarHBondContact O-N 3.16Å; A771-A774 PolarHBondContact O-N 3.29Å; A774-R777 PolarHBondContact O-N 2.89Å; A774-L778 PolarHBondContact O-N 3.18Å; A774-L778 VanDerWaalsContact O-N 3.09Å; A774-A827 HydrophobicContact CB-CB 4.38Å; A774-V828 HydrophobicContact CB-CG2 4.34Å
775	E	76.8	Confident	79	Confident	49 Å²	49	80.4 Å²	80.4	23%	0.229	37%	0.366	C	S	.	.	H	α-helix	trans	-59.7	-46.2	177	-173.3	-165.6	-127.9	0	0	112.9	A771 A773 L778 K779 L887 K890	A771-E775 WeakPolarHBondContact O-CB 3.48Å; A771-E775 PolarHBondContact O-N 2.86Å; A773-E775 VanDerWaalsContact C-N 3.34Å; E775-L778 PolarHBondContact O-N 3.26Å; E775-K779 PolarHBondContact O-N 2.87Å; E775-K779 VanDerWaalsContact O-N 3.16Å; E775-L887 HydrophobicContact CB-CD2 4.14Å; E775-L887 HydrophobicContact CG-CD2 4.08Å; E775-K890 HydrophobicContact CG-CD 3.53Å; E775-K890 IonicContact OE1-NZ 2.8Å; E775-K890 PolarHBondContact OE1-NZ 2.94Å
776	R	83.5	Confident	79	Confident	157 Å²	157	80.3 Å²	80.3	59%	0.592	37%	0.365	S	S	*	.	H	α-helix	trans	-62.8	-42	176.7	-79.3	176.5	-71.4	149.4	-4.7	112.2	A772 A773 L778 K779 E780	A772-R776 WeakPolarHBondContact O-CG 3.49Å; A772-R776 PolarHBondContact O-N 3.3Å; A772-R776 PolarHBondContact O-NE 3.4Å; A773-R776 PolarHBondContact O-N 2.96Å; R776-L778 PolarHBondContact O-N 3.11Å; R776-K779 PolarHBondContact O-N 3.18Å; R776-E780 WeakPolarHBondContact O-CB 3.21Å; R776-E780 PolarHBondContact O-N 3.49Å
777	R	80.8	Confident	79	Confident	159 Å²	159	76.6 Å²	76.6	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-59.1	-46.2	176.6	-71.7	167.8	-177.6	175.2	1.2	111.3	A773 A774 K779 E780 L781	A773-R777 VanDerWaalsContact O-CG 3.3Å; A773-R777 WeakPolarHBondContact O-CG 3.39Å; A773-R777 PolarHBondContact O-N 3.23Å; A773-R777 VanDerWaalsContact O-N 3.15Å; A774-R777 PolarHBondContact O-N 2.89Å; R777-K779 PolarHBondContact O-N 3.17Å; R777-E780 PolarHBondContact O-N 3.44Å; R777-L781 WeakPolarHBondContact O-CB 3.47Å; R777-L781 WeakPolarHBondContact O-CD1 3.33Å; R777-L781 VanDerWaalsContact O-CG 3.25Å; R777-L781 WeakPolarHBondContact O-CG 3.38Å; R777-L781 PolarHBondContact O-N 3.3Å
778	L	82.6	Confident	78.9	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-48	178.1	-177.4	58.4	0	0	0	110.9	A774 E775 R776 E780 L781 L782 S824 M825 V828 K890 A894	A774-L778 PolarHBondContact O-N 3.18Å; A774-L778 VanDerWaalsContact O-N 3.09Å; E775-L778 PolarHBondContact O-N 3.26Å; R776-L778 PolarHBondContact O-N 3.11Å; L778-E780 PolarHBondContact O-N 3.36Å; L778-L781 PolarHBondContact O-N 3.41Å; L778-L782 HydrophobicContact CD1-CD1 4.28Å; L778-L782 HydrophobicContact CD1-CG 4.17Å; L778-L782 HydrophobicContact CG-CD1 4.13Å; L778-L782 HydrophobicContact CG-CG 4.44Å; L778-L782 WeakPolarHBondContact O-CG 3.38Å; L778-L782 PolarHBondContact O-N 3.28Å; L778-S824 WeakPolarHBondContact CA-OG 3.05Å; L778-S824 WeakPolarHBondContact CB-OG 2.88Å; L778-S824 PolarHBondContact N-OG 2.98Å; L778-S824 VanDerWaalsContact N-OG 3.14Å; L778-M825 HydrophobicContact CD1-CG 3.75Å; L778-V828 HydrophobicContact CB-CG2 4.41Å; L778-V828 HydrophobicContact CD2-CB 4.35Å; L778-V828 HydrophobicContact CD2-CG1 4.48Å; L778-V828 HydrophobicContact CD2-CG2 4Å; L778-K890 HydrophobicContact CD2-CB 4.37Å; L778-A894 HydrophobicContact CD1-CB 4.28Å
779	K	81.4	Confident	78.5	Confident	136 Å²	136	77.1 Å²	77.1	59%	0.591	36%	0.36	S	S	*	.	H	α-helix	trans	-60	-42.3	178.6	-173.2	175.9	179.9	179	0	112.9	E775 R776 R777 L783	E775-K779 PolarHBondContact O-N 2.87Å; E775-K779 VanDerWaalsContact O-N 3.16Å; R776-K779 PolarHBondContact O-N 3.18Å; R777-K779 PolarHBondContact O-N 3.17Å; K779-L783 HydrophobicContact CG-CD1 4.44Å; K779-L783 WeakPolarHBondContact O-CG 3.45Å; K779-L783 PolarHBondContact O-N 2.98Å; K779-L783 VanDerWaalsContact O-N 3.16Å
780	E	83.9	Confident	78.3	Confident	93 Å²	93	75.9 Å²	75.9	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-64.8	-40.3	177.3	-170.4	-174.5	152.9	0	0	112	R776 R777 L778 R784	R776-E780 WeakPolarHBondContact O-CB 3.21Å; R776-E780 PolarHBondContact O-N 3.49Å; R777-E780 PolarHBondContact O-N 3.44Å; L778-E780 PolarHBondContact O-N 3.36Å; E780-R784 WeakPolarHBondContact O-CG 3.36Å; E780-R784 PolarHBondContact O-N 3.48Å; E780-R784 VanDerWaalsContact O-N 3.11Å; E780-R784 IonicContact OE1-CZ 2.83Å; E780-R784 IonicContact OE1-NH1 3.67Å; E780-R784 PolarHBondContact OE1-NH1 3.45Å; E780-R784 IonicContact OE1-NH2 3.44Å; E780-R784 PolarHBondContact OE1-NH2 3.21Å
781	L	81.6	Confident	77.9	Confident	23 Å²	23	77 Å²	77	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-70.8	-38.9	178.8	-70.5	166.5	0	0	0	112.7	R777 L778 R784 Q785 D820 I821	R777-L781 WeakPolarHBondContact O-CB 3.47Å; R777-L781 WeakPolarHBondContact O-CD1 3.33Å; R777-L781 VanDerWaalsContact O-CG 3.25Å; R777-L781 WeakPolarHBondContact O-CG 3.38Å; R777-L781 PolarHBondContact O-N 3.3Å; L778-L781 PolarHBondContact O-N 3.41Å; L781-R784 PolarHBondContact O-N 3.12Å; L781-Q785 PolarHBondContact O-N 2.87Å; L781-D820 HydrophobicContact CD1-CB 4.23Å; L781-D820 WeakPolarHBondContact CD1-O 3.23Å; L781-D820 HydrophobicContact CD2-CB 3.9Å; L781-I821 HydrophobicContact CB-CG1 3.72Å
782	L	80.1	Confident	77.5	Confident	30 Å²	30	79.7 Å²	79.7	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-38.4	174.9	-67.1	176.6	0	0	0	112.4	L778 Q785 K786 I821 D893 A894	L778-L782 HydrophobicContact CD1-CD1 4.28Å; L778-L782 HydrophobicContact CD1-CG 4.17Å; L778-L782 HydrophobicContact CG-CD1 4.13Å; L778-L782 HydrophobicContact CG-CG 4.44Å; L778-L782 WeakPolarHBondContact O-CG 3.38Å; L778-L782 PolarHBondContact O-N 3.28Å; L782-Q785 PolarHBondContact O-N 2.82Å; L782-K786 PolarHBondContact O-N 3.28Å; L782-I821 HydrophobicContact CD2-CG2 4.39Å; L782-D893 HydrophobicContact CD1-CB 4.5Å; L782-A894 HydrophobicContact CD1-CB 3.89Å; L782-A894 HydrophobicContact CD2-CB 3.83Å; L782-A894 HydrophobicContact CG-CB 4.41Å
783	L	80.4	Confident	76.8	Confident	95 Å²	95	81.9 Å²	81.9	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-49.8	172.1	-74.1	166.6	0	0	0	110.8	K779 Q785 K786 D787	K779-L783 HydrophobicContact CG-CD1 4.44Å; K779-L783 WeakPolarHBondContact O-CG 3.45Å; K779-L783 PolarHBondContact O-N 2.98Å; K779-L783 VanDerWaalsContact O-N 3.16Å; L783-Q785 VanDerWaalsContact C-N 3.28Å; L783-Q785 PolarHBondContact O-N 3.44Å; L783-K786 WeakPolarHBondContact O-CB 3.48Å; L783-K786 PolarHBondContact O-N 3.32Å; L783-K786 VanDerWaalsContact O-N 3.12Å; L783-D787 PolarHBondContact O-N 3.06Å
784	R	78	Confident	76.1	Confident	120 Å²	120	86.8 Å²	86.8	45%	0.453	39%	0.385	S	S	.	.	H	α-helix	trans	-57.1	-38.9	174.2	-74.7	-177.1	176.1	121.9	11.9	113	E780 L781 D787 I788	E780-R784 WeakPolarHBondContact O-CG 3.36Å; E780-R784 PolarHBondContact O-N 3.48Å; E780-R784 VanDerWaalsContact O-N 3.11Å; E780-R784 IonicContact OE1-CZ 2.83Å; E780-R784 IonicContact OE1-NH1 3.67Å; E780-R784 PolarHBondContact OE1-NH1 3.45Å; E780-R784 IonicContact OE1-NH2 3.44Å; E780-R784 PolarHBondContact OE1-NH2 3.21Å; L781-R784 PolarHBondContact O-N 3.12Å; R784-D787 PolarHBondContact O-N 3.04Å; R784-I788 WeakPolarHBondContact O-CB 3.38Å; R784-I788 WeakPolarHBondContact O-CD1 2.86Å; R784-I788 VanDerWaalsContact O-CG1 3.24Å; R784-I788 WeakPolarHBondContact O-CG1 3.21Å; R784-I788 PolarHBondContact O-N 2.92Å
785	Q	75.8	Confident	75.3	Confident	71 Å²	71	94 Å²	94	33%	0.332	41%	0.411	S	S	.	.	H	α-helix	trans	-63.1	-42.8	177.3	-158.1	-168.5	39.7	0	0	111.6	L781 L782 L783 R789 I821	L781-Q785 PolarHBondContact O-N 2.87Å; L782-Q785 PolarHBondContact O-N 2.82Å; L783-Q785 VanDerWaalsContact C-N 3.28Å; L783-Q785 PolarHBondContact O-N 3.44Å; Q785-R789 WeakPolarHBondContact O-CB 3.25Å; Q785-R789 PolarHBondContact O-N 3.12Å; Q785-I821 HydrophobicContact CB-CD1 3.77Å; Q785-I821 HydrophobicContact CG-CD1 3.76Å
786	K	76.1	Confident	74.5	Confident	132 Å²	132	97 Å²	97	57%	0.574	43%	0.433	S	S	*	.	H	α-helix	trans	-62.5	-43.8	175.7	-173.4	-179.3	179.6	-178.8	0	111.4	L782 L783 R789 N790	L782-K786 PolarHBondContact O-N 3.28Å; L783-K786 WeakPolarHBondContact O-CB 3.48Å; L783-K786 PolarHBondContact O-N 3.32Å; L783-K786 VanDerWaalsContact O-N 3.12Å; K786-R789 WeakPolarHBondContact O-CB 3.35Å; K786-R789 PolarHBondContact O-N 3.06Å; K786-N790 PolarHBondContact O-N 3.49Å; K786-N790 PolarHBondContact O-ND2 3.41Å; K786-N790 PolarHBondContact O-OD1 3.32Å
787	D	76.7	Confident	73.1	Confident	97 Å²	97	94.7 Å²	94.7	52%	0.519	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-44.2	179.5	-64.5	-28.4	0	0	0	112.1	L783 R784 R789 N790 E791	L783-D787 PolarHBondContact O-N 3.06Å; R784-D787 PolarHBondContact O-N 3.04Å; D787-R789 VanDerWaalsContact C-N 3.27Å; D787-R789 PolarHBondContact O-N 3.47Å; D787-N790 PolarHBondContact O-N 2.92Å; D787-E791 VanDerWaalsContact O-CB 3.32Å; D787-E791 WeakPolarHBondContact O-CB 3.48Å; D787-E791 PolarHBondContact O-N 3.47Å
788	I	73.4	Confident	71.7	Confident	73 Å²	73	93.4 Å²	93.4	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-36.8	174.3	-69.8	165.9	0	0	0	111.2	R784 R792 T817	R784-I788 WeakPolarHBondContact O-CB 3.38Å; R784-I788 WeakPolarHBondContact O-CD1 2.86Å; R784-I788 VanDerWaalsContact O-CG1 3.24Å; R784-I788 WeakPolarHBondContact O-CG1 3.21Å; R784-I788 PolarHBondContact O-N 2.92Å; I788-R792 WeakPolarHBondContact O-CB 3.26Å; I788-R792 PolarHBondContact O-N 3.35Å; I788-T817 HydrophobicContact CD1-CG2 3.9Å
789	R	68.7	Low	70	Confident	168 Å²	168	97 Å²	97	63%	0.634	48%	0.479	S	S	*	.	H	α-helix	trans	-66.5	-51.7	174.6	179.9	177.3	176.5	170.9	1.3	111.7	Q785 K786 D787 E791 R792 D793	Q785-R789 WeakPolarHBondContact O-CB 3.25Å; Q785-R789 PolarHBondContact O-N 3.12Å; K786-R789 WeakPolarHBondContact O-CB 3.35Å; K786-R789 PolarHBondContact O-N 3.06Å; D787-R789 VanDerWaalsContact C-N 3.27Å; D787-R789 PolarHBondContact O-N 3.47Å; R789-E791 PolarHBondContact O-N 3.32Å; R789-R792 WeakPolarHBondContact O-CB 3.25Å; R789-R792 PolarHBondContact O-N 3.15Å; R789-R792 VanDerWaalsContact O-N 3.08Å; R789-D793 IonicContact NE-OD2 2.74Å; R789-D793 VanDerWaalsContact O-CG 3.29Å; R789-D793 PolarHBondContact O-N 3.16Å
790	N	73.3	Confident	68.5	Low	70 Å²	70	96.9 Å²	96.9	37%	0.374	49%	0.485	S	S	.	.	H	α-helix	trans	-54.9	-40.5	177.4	-64.5	-27.4	0	0	0	111.5	K786 D787 D793 K794	K786-N790 PolarHBondContact O-N 3.49Å; K786-N790 PolarHBondContact O-ND2 3.41Å; K786-N790 PolarHBondContact O-OD1 3.32Å; D787-N790 PolarHBondContact O-N 2.92Å; N790-D793 PolarHBondContact O-N 3.15Å; N790-K794 WeakPolarHBondContact O-CG 3.29Å; N790-K794 PolarHBondContact O-N 2.65Å; N790-K794 VanDerWaalsContact O-N 3.12Å
791	E	69.3	Low	67.1	Low	70 Å²	70	100.3 Å²	100.3	33%	0.327	51%	0.506	S	S	.	.	H	α-helix	trans	-72.9	-33.8	179	-171.8	60.2	-164.9	0	0	112.9	D787 R789 K794 R795	D787-E791 VanDerWaalsContact O-CB 3.32Å; D787-E791 WeakPolarHBondContact O-CB 3.48Å; D787-E791 PolarHBondContact O-N 3.47Å; R789-E791 PolarHBondContact O-N 3.32Å; E791-K794 IonicContact OE2-NZ 3.83Å; E791-K794 PolarHBondContact OE2-NZ 2.67Å; E791-R795 VanDerWaalsContact O-CG 3.27Å; E791-R795 WeakPolarHBondContact O-CG 3.09Å; E791-R795 PolarHBondContact O-N 2.9Å; E791-R795 IonicContact OE1-CZ 3.24Å; E791-R795 IonicContact OE1-NE 3.66Å; E791-R795 PolarHBondContact OE1-NE 3.01Å; E791-R795 IonicContact OE1-NH2 2.65Å; E791-R795 PolarHBondContact OE1-NH2 2.62Å
792	R	67.2	Low	65.9	Low	64 Å²	64	103.1 Å²	103.1	24%	0.242	52%	0.524	C	S	.	.	H	α-helix	trans	-64	-47	169.6	-177.4	179.9	-176.3	163.8	1.2	110.8	I788 R789 K794 R795 V796 Q919 H921	I788-R792 WeakPolarHBondContact O-CB 3.26Å; I788-R792 PolarHBondContact O-N 3.35Å; R789-R792 WeakPolarHBondContact O-CB 3.25Å; R789-R792 PolarHBondContact O-N 3.15Å; R789-R792 VanDerWaalsContact O-N 3.08Å; R792-K794 PolarHBondContact O-N 3.1Å; R792-R795 PolarHBondContact O-N 2.81Å; R792-V796 WeakPolarHBondContact O-CG2 3.42Å; R792-V796 PolarHBondContact O-N 3.13Å; R792-V796 VanDerWaalsContact O-N 3.08Å; R792-Q919 PolarHBondContact NH2-O 2.77Å; R792-Q919 VanDerWaalsContact NH2-O 3.12Å; R792-H921 PolarHBondContact NH2-CE1 2.97Å
793	D	65.2	Low	64.8	Low	81 Å²	81	109.9 Å²	109.9	43%	0.433	55%	0.552	S	S	.	*	H	α-helix	trans	-65	-40.2	-175.1	-66.3	-17.6	0	0	0	111.2	R789 N790 V796	R789-D793 IonicContact NE-OD2 2.74Å; R789-D793 VanDerWaalsContact O-CG 3.29Å; R789-D793 PolarHBondContact O-N 3.16Å; N790-D793 PolarHBondContact O-N 3.15Å; D793-V796 PolarHBondContact O-N 2.79Å
794	K	65.6	Low	63.6	Low	129 Å²	129	113 Å²	113	56%	0.561	56%	0.562	S	S	*	*	H	α-helix	trans	-57.1	-50.4	169	-71.7	174.1	-170	169	0	112.8	N790 E791 R792 V796 S797 E798	N790-K794 WeakPolarHBondContact O-CG 3.29Å; N790-K794 PolarHBondContact O-N 2.65Å; N790-K794 VanDerWaalsContact O-N 3.12Å; E791-K794 IonicContact OE2-NZ 3.83Å; E791-K794 PolarHBondContact OE2-NZ 2.67Å; R792-K794 PolarHBondContact O-N 3.1Å; K794-V796 PolarHBondContact O-N 2.97Å; K794-S797 WeakPolarHBondContact O-CB 3.43Å; K794-S797 PolarHBondContact O-N 3.32Å; K794-E798 PolarHBondContact O-N 2.99Å
795	R	61.8	Low	62.6	Low	155 Å²	155	115.1 Å²	115.1	59%	0.585	58%	0.575	S	S	*	*	H	α-helix	trans	-69	-15.7	-175.6	-69.5	175.1	-170.5	-148.3	4.9	113.6	E791 R792	E791-R795 VanDerWaalsContact O-CG 3.27Å; E791-R795 WeakPolarHBondContact O-CG 3.09Å; E791-R795 PolarHBondContact O-N 2.9Å; E791-R795 IonicContact OE1-CZ 3.24Å; E791-R795 IonicContact OE1-NE 3.66Å; E791-R795 PolarHBondContact OE1-NE 3.01Å; E791-R795 IonicContact OE1-NH2 2.65Å; E791-R795 PolarHBondContact OE1-NH2 2.62Å; R792-R795 PolarHBondContact O-N 2.81Å
796	V	58.8	Low	62.5	Low	113 Å²	113	115.6 Å²	115.6	69%	0.685	58%	0.58	S	S	*	*	H	α-helix	trans	-75	-26.7	170.4	170.3	0	0	0	0	111.7	R792 D793 K794	R792-V796 WeakPolarHBondContact O-CG2 3.42Å; R792-V796 PolarHBondContact O-N 3.13Å; R792-V796 VanDerWaalsContact O-N 3.08Å; D793-V796 PolarHBondContact O-N 2.79Å; K794-V796 PolarHBondContact O-N 2.97Å
797	S	55.2	Low	62.5	Low	109 Å²	109	110.5 Å²	110.5	76%	0.762	56%	0.558	S	S	*	*	H	α-helix	trans	-74.5	-28.2	170.3	-57.7	0	0	0	0	113.1	K794 G799	K794-S797 WeakPolarHBondContact O-CB 3.43Å; K794-S797 PolarHBondContact O-N 3.32Å; S797-G799 PolarHBondContact O-N 3.43Å
798	E	49.8	Very low	62.6	Low	132 Å²	132	106.8 Å²	106.8	62%	0.617	54%	0.541	S	S	*	.	S	Bend	trans	-94.2	72.3	-179.5	-66.5	-177	177.8	0	0	112	K794 N800	K794-E798 PolarHBondContact O-N 2.99Å; E798-N800 PolarHBondContact O-N 3.41Å; E798-N800 PolarHBondContact O-ND2 2.96Å
799	G	48.2	Very low	63	Low	77 Å²	77	105.9 Å²	105.9	79%	0.794	54%	0.539	S	S	*	.			trans	-53.3	103.4	-175.1	0	0	0	0	0	114.5	S797	S797-G799 PolarHBondContact O-N 3.43Å
800	N	49.2	Very low	63.5	Low	132 Å²	132	102.6 Å²	102.6	71%	0.706	53%	0.527	S	S	*	.			trans	-136	145.9	-173.3	-100	-61.3	0	0	0	114	E798 V802	E798-N800 PolarHBondContact O-N 3.41Å; E798-N800 PolarHBondContact O-ND2 2.96Å; N800-V802 PolarHBondContact O-N 3.44Å; N800-V802 VanDerWaalsContact O-N 3.07Å
801	N	54.4	Low	64	Low	166 Å²	166	99.5 Å²	99.5	89%	0.888	51%	0.51	S	S	*	.			trans	-77.5	89.6	179.9	-82.6	-48.8	0	0	0	112.3	K803	N801-K803 PolarHBondContact O-N 2.87Å
802	V	56.5	Low	64.8	Low	81 Å²	81	100.5 Å²	100.5	49%	0.491	51%	0.511	S	S	.	.			trans	-66.9	126.1	179.1	178.8	0	0	0	0	112	N800 D806 L807	N800-V802 PolarHBondContact O-N 3.44Å; N800-V802 VanDerWaalsContact O-N 3.07Å; V802-D806 HydrophobicContact CG1-CB 4.13Å; V802-D806 WeakPolarHBondContact CG1-OD2 3.26Å; V802-L807 HydrophobicContact CG1-CB 4.36Å
803	K	56.4	Low	65.5	Low	172 Å²	172	100.1 Å²	100.1	75%	0.748	52%	0.521	S	S	*	.			trans	-70	143.7	178	-67.6	177.4	-179.3	173.8	0	111.5	N801 F805 D806 L807	N801-K803 PolarHBondContact O-N 2.87Å; K803-F805 PolarHBondContact O-N 3.44Å; K803-D806 WeakPolarHBondContact O-CB 3.36Å; K803-D806 PolarHBondContact O-N 3.47Å; K803-L807 PolarHBondContact O-N 3.29Å; K803-L807 VanDerWaalsContact O-N 3.09Å
804	K	55.2	Low	66.3	Low	160 Å²	160	98.5 Å²	98.5	70%	0.696	51%	0.509	S	S	*	.	H	α-helix	trans	-55.7	-28.3	-174.8	-164.2	174.3	-173.7	176.6	0	115.3	A808	K804-A808 PolarHBondContact O-N 2.94Å
805	F	58.6	Low	67.2	Low	166 Å²	166	92.9 Å²	92.9	73%	0.728	49%	0.485	S	S	*	.	H	α-helix	trans	-72.2	-43.4	174.8	-176.2	-95.2	0	0	0	112.3	K803 A808 T809	K803-F805 PolarHBondContact O-N 3.44Å; F805-A808 PolarHBondContact O-N 2.88Å; F805-T809 PolarHBondContact O-N 3.48Å; F805-T809 VanDerWaalsContact O-N 3.16Å; F805-T809 PolarHBondContact O-OG1 3.13Å
806	D	72.6	Confident	68.3	Low	81 Å²	81	90.1 Å²	90.1	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-66.8	-42.6	178.7	-176.9	44.4	0	0	0	111.2	V802 K803 A808 T809 R810	V802-D806 HydrophobicContact CG1-CB 4.13Å; V802-D806 WeakPolarHBondContact CG1-OD2 3.26Å; K803-D806 WeakPolarHBondContact O-CB 3.36Å; K803-D806 PolarHBondContact O-N 3.47Å; D806-A808 PolarHBondContact O-N 3.28Å; D806-T809 PolarHBondContact O-N 3.02Å; D806-R810 WeakPolarHBondContact O-CB 3.49Å; D806-R810 PolarHBondContact O-N 3.16Å
807	L	75.8	Confident	69.4	Low	25 Å²	25	86 Å²	86	13%	0.131	45%	0.453	C	S	.	.	H	α-helix	trans	-48	-47.1	169.5	177	62	0	0	0	112	V802 K803 V811 E925	V802-L807 HydrophobicContact CG1-CB 4.36Å; K803-L807 PolarHBondContact O-N 3.29Å; K803-L807 VanDerWaalsContact O-N 3.09Å; L807-V811 HydrophobicContact CD1-CG2 4.32Å; L807-V811 WeakPolarHBondContact O-CG2 3.25Å; L807-V811 PolarHBondContact O-N 3.38Å; L807-E925 HydrophobicContact CD1-CG 3.93Å
808	A	79.2	Confident	70.6	Confident	18 Å²	18	81.9 Å²	81.9	15%	0.149	42%	0.422	C	S	.	.	H	α-helix	trans	-70.2	-33.4	-178.1	0	0	0	0	0	112.9	K804 F805 D806 R812 I928	K804-A808 PolarHBondContact O-N 2.94Å; F805-A808 PolarHBondContact O-N 2.88Å; D806-A808 PolarHBondContact O-N 3.28Å; A808-R812 VanDerWaalsContact C-NH1 3.25Å; A808-R812 WeakPolarHBondContact O-CG 3.44Å; A808-R812 VanDerWaalsContact O-CZ 3.31Å; A808-R812 PolarHBondContact O-N 3.14Å; A808-R812 PolarHBondContact O-NH1 3.29Å; A808-I928 HydrophobicContact CB-CD1 4Å; A808-I928 HydrophobicContact CB-CG2 4.3Å
809	T	81.7	Confident	72.3	Confident	55 Å²	55	78.3 Å²	78.3	34%	0.337	41%	0.407	S	S	.	.	H	α-helix	trans	-72	-44.8	175.3	-60	0	0	0	0	111.5	F805 D806 V811 R812 A813	F805-T809 PolarHBondContact O-N 3.48Å; F805-T809 VanDerWaalsContact O-N 3.16Å; F805-T809 PolarHBondContact O-OG1 3.13Å; D806-T809 PolarHBondContact O-N 3.02Å; T809-V811 PolarHBondContact O-N 3.13Å; T809-R812 PolarHBondContact O-N 3.26Å; T809-R812 PolarHBondContact OG1-NH2 3.36Å; T809-A813 WeakPolarHBondContact O-CB 3.41Å; T809-A813 PolarHBondContact O-N 2.86Å
810	R	80.7	Confident	74	Confident	99 Å²	99	76.9 Å²	76.9	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-55.8	-48	174.9	-176.4	175.2	65.3	86.7	3.6	112.3	D806 A813 W814 E925	D806-R810 WeakPolarHBondContact O-CB 3.49Å; D806-R810 PolarHBondContact O-N 3.16Å; R810-A813 PolarHBondContact O-N 2.92Å; R810-W814 PolarHBondContact O-N 3.45Å; R810-E925 IonicContact CZ-OE1 3.98Å; R810-E925 IonicContact NH1-OE1 3.02Å; R810-E925 IonicContact NH2-OE1 2.69Å; R810-E925 PolarHBondContact NH2-OE1 2.98Å
811	V	83.1	Confident	75.6	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-44.9	178.3	173.1	0	0	0	0	111.5	L807 T809 A813 W814 V815 E925 I928 A929	L807-V811 HydrophobicContact CD1-CG2 4.32Å; L807-V811 WeakPolarHBondContact O-CG2 3.25Å; L807-V811 PolarHBondContact O-N 3.38Å; T809-V811 PolarHBondContact O-N 3.13Å; V811-A813 VanDerWaalsContact C-N 3.34Å; V811-A813 PolarHBondContact O-N 3.39Å; V811-W814 PolarHBondContact O-N 3.34Å; V811-V815 HydrophobicContact CG1-CG2 4.3Å; V811-V815 WeakPolarHBondContact O-CG2 3.45Å; V811-V815 PolarHBondContact O-N 3.47Å; V811-E925 HydrophobicContact CG2-CB 4.01Å; V811-E925 HydrophobicContact CG2-CG 3.82Å; V811-I928 HydrophobicContact CB-CG2 3.95Å; V811-I928 HydrophobicContact CG1-CB 4.12Å; V811-I928 HydrophobicContact CG1-CG2 3.81Å; V811-A929 HydrophobicContact CG1-CB 3.98Å
812	R	85	Confident	76.9	Confident	91 Å²	91	63.7 Å²	63.7	34%	0.343	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-41.2	176.9	-72.7	-171.8	-52.9	-85.8	0.2	112.5	A808 T809 K816 I928 Y932	A808-R812 VanDerWaalsContact C-NH1 3.25Å; A808-R812 WeakPolarHBondContact O-CG 3.44Å; A808-R812 VanDerWaalsContact O-CZ 3.31Å; A808-R812 PolarHBondContact O-N 3.14Å; A808-R812 PolarHBondContact O-NH1 3.29Å; T809-R812 PolarHBondContact O-N 3.26Å; T809-R812 PolarHBondContact OG1-NH2 3.36Å; R812-K816 WeakPolarHBondContact O-CB 3.44Å; R812-K816 PolarHBondContact O-N 3.02Å; R812-I928 HydrophobicContact CG-CG2 4.41Å; R812-Y932 HydrophobicContact CB-CD2 4.25Å; R812-Y932 HydrophobicContact CB-CE2 4.47Å; R812-Y932 HydrophobicContact CB-CG 4.4Å; R812-Y932 HydrophobicContact CG-CD2 3.79Å; R812-Y932 HydrophobicContact CG-CE2 4.45Å; R812-Y932 HydrophobicContact CG-CG 3.93Å
813	A	81.8	Confident	78.2	Confident	55 Å²	55	64.8 Å²	64.8	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-47.7	178.3	0	0	0	0	0	111.7	T809 R810 V811 K816 T817	T809-A813 WeakPolarHBondContact O-CB 3.41Å; T809-A813 PolarHBondContact O-N 2.86Å; R810-A813 PolarHBondContact O-N 2.92Å; V811-A813 VanDerWaalsContact C-N 3.34Å; V811-A813 PolarHBondContact O-N 3.39Å; A813-K816 PolarHBondContact O-N 3.31Å; A813-T817 PolarHBondContact O-N 3.31Å; A813-T817 PolarHBondContact O-OG1 3.48Å
814	W	82.1	Confident	79.4	Confident	48 Å²	48	57 Å²	57	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-49.1	176.9	171.1	75.8	0	0	0	112.4	R810 V811 K816 T817 D818 R916 Q919 L920	R810-W814 PolarHBondContact O-N 3.45Å; V811-W814 PolarHBondContact O-N 3.34Å; W814-K816 VanDerWaalsContact C-N 3.28Å; W814-K816 PolarHBondContact O-N 3.43Å; W814-T817 PolarHBondContact O-N 3.32Å; W814-T817 PolarHBondContact O-OG1 2.98Å; W814-D818 WeakPolarHBondContact O-CB 3.38Å; W814-D818 PolarHBondContact O-N 3.01Å; W814-R916 WeakPolarHBondContact CH2-O 3.49Å; W814-Q919 HydrophobicContact CH2-CB 4.47Å; W814-Q919 HydrophobicContact CZ2-CB 3.99Å; W814-L920 HydrophobicContact CH2-CD2 4.34Å; W814-L920 HydrophobicContact CH2-CG 4.26Å; W814-L920 HydrophobicContact CZ3-CD2 3.75Å; W814-L920 HydrophobicContact CZ3-CG 4.15Å
815	V	84.3	Confident	80.6	Confident	10 Å²	10	49.4 Å²	49.4	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-39.3	177	176.9	0	0	0	0	111.1	V811 D818 L819 A929 Y932 L933	V811-V815 HydrophobicContact CG1-CG2 4.3Å; V811-V815 WeakPolarHBondContact O-CG2 3.45Å; V811-V815 PolarHBondContact O-N 3.47Å; V815-D818 PolarHBondContact O-N 2.91Å; V815-L819 WeakPolarHBondContact O-CB 3.42Å; V815-L819 PolarHBondContact O-N 3.4Å; V815-A929 HydrophobicContact CG2-CB 3.75Å; V815-Y932 HydrophobicContact CB-CD1 3.98Å; V815-Y932 HydrophobicContact CB-CE1 4.33Å; V815-Y932 HydrophobicContact CG1-CD1 3.69Å; V815-Y932 HydrophobicContact CG1-CE1 4.11Å; V815-L933 HydrophobicContact CG1-CD1 4.4Å; V815-L933 HydrophobicContact CG1-CD2 3.56Å; V815-L933 HydrophobicContact CG1-CG 3.81Å
816	K	85.3	Confident	81.7	Confident	97 Å²	97	45.5 Å²	45.5	42%	0.422	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-51.3	176.8	-164.1	-156.8	172.6	-147.7	0	111.5	R812 A813 W814 D818 L819 D820 Y932	R812-K816 WeakPolarHBondContact O-CB 3.44Å; R812-K816 PolarHBondContact O-N 3.02Å; A813-K816 PolarHBondContact O-N 3.31Å; W814-K816 VanDerWaalsContact C-N 3.28Å; W814-K816 PolarHBondContact O-N 3.43Å; K816-D818 PolarHBondContact O-N 3.42Å; K816-L819 PolarHBondContact O-N 2.78Å; K816-D820 WeakPolarHBondContact CE-OD2 3.41Å; K816-D820 IonicContact NZ-OD2 2.65Å; K816-D820 PolarHBondContact NZ-OD2 2.99Å; K816-D820 WeakPolarHBondContact O-CB 3.45Å; K816-D820 VanDerWaalsContact O-CG 3.26Å; K816-D820 PolarHBondContact O-N 3.15Å; K816-Y932 HydrophobicContact CB-CE1 4.1Å; K816-Y932 WeakPolarHBondContact CG-OH 3.4Å
817	T	82.3	Confident	82.2	Confident	27 Å²	27	43.4 Å²	43.4	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-32.5	-178.6	52.1	0	0	0	0	112.4	I788 A813 W814 I821	I788-T817 HydrophobicContact CD1-CG2 3.9Å; A813-T817 PolarHBondContact O-N 3.31Å; A813-T817 PolarHBondContact O-OG1 3.48Å; W814-T817 PolarHBondContact O-N 3.32Å; W814-T817 PolarHBondContact O-OG1 2.98Å; T817-I821 VanDerWaalsContact O-CD1 3.3Å; T817-I821 WeakPolarHBondContact O-CD1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.24Å; T817-I821 PolarHBondContact O-N 3.44Å; T817-I821 VanDerWaalsContact O-N 3.1Å
818	D	81.3	Confident	82.5	Confident	22 Å²	22	42.3 Å²	42.3	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-71.1	-36.1	177.1	-163.2	75.6	0	0	0	112.7	W814 V815 K816 Q822 R916	W814-D818 WeakPolarHBondContact O-CB 3.38Å; W814-D818 PolarHBondContact O-N 3.01Å; V815-D818 PolarHBondContact O-N 2.91Å; K816-D818 PolarHBondContact O-N 3.42Å; D818-Q822 WeakPolarHBondContact O-CG 3.32Å; D818-Q822 PolarHBondContact O-N 2.92Å; D818-R916 PolarHBondContact O-NH1 2.85Å; D818-R916 IonicContact OD1-CZ 3.82Å; D818-R916 IonicContact OD1-NE 3.67Å; D818-R916 IonicContact OD1-NH1 2.7Å; D818-R916 PolarHBondContact OD1-NH1 3.26Å; D818-R916 VanDerWaalsContact OD2-CD 3.32Å; D818-R916 WeakPolarHBondContact OD2-CD 3.39Å; D818-R916 IonicContact OD2-CZ 2.64Å; D818-R916 IonicContact OD2-NE 3.33Å; D818-R916 IonicContact OD2-NH1 2.78Å; D818-R916 PolarHBondContact OD2-NH1 3.29Å
819	L	83.9	Confident	82.7	Confident	57 Å²	57	44 Å²	44	30%	0.298	22%	0.224	S	C	.	.	H	α-helix	trans	-70.3	-44.9	172.2	179.5	63.7	0	0	0	112.3	V815 K816 I821 Q822 I823 Q936	V815-L819 WeakPolarHBondContact O-CB 3.42Å; V815-L819 PolarHBondContact O-N 3.4Å; K816-L819 PolarHBondContact O-N 2.78Å; L819-I821 PolarHBondContact O-N 2.88Å; L819-Q822 PolarHBondContact O-N 3.24Å; L819-Q822 VanDerWaalsContact O-N 3.11Å; L819-I823 HydrophobicContact CD1-CD1 4.19Å; L819-I823 HydrophobicContact CD1-CG1 4.45Å; L819-I823 HydrophobicContact CG-CD1 4Å; L819-I823 WeakPolarHBondContact O-CG1 3.25Å; L819-I823 PolarHBondContact O-N 3.33Å; L819-Q936 HydrophobicContact CD2-CB 4.48Å
820	D	84.7	Confident	82.8	Confident	47 Å²	47	48.8 Å²	48.8	25%	0.251	24%	0.237	S	C	.	.	H	α-helix	trans	-56.9	-38.5	175.5	-70.3	-21.8	0	0	0	110	L781 K816 S824	L781-D820 HydrophobicContact CD1-CB 4.23Å; L781-D820 WeakPolarHBondContact CD1-O 3.23Å; L781-D820 HydrophobicContact CD2-CB 3.9Å; K816-D820 WeakPolarHBondContact CE-OD2 3.41Å; K816-D820 IonicContact NZ-OD2 2.65Å; K816-D820 PolarHBondContact NZ-OD2 2.99Å; K816-D820 WeakPolarHBondContact O-CB 3.45Å; K816-D820 VanDerWaalsContact O-CG 3.26Å; K816-D820 PolarHBondContact O-N 3.15Å; D820-S824 WeakPolarHBondContact O-CB 3.36Å; D820-S824 PolarHBondContact O-N 3.4Å; D820-S824 VanDerWaalsContact O-N 3.08Å
821	I	82.5	Confident	83	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-47.7	173.7	-71.2	162.1	0	0	0	111.9	L781 L782 Q785 T817 L819 I823 S824 M825	L781-I821 HydrophobicContact CB-CG1 3.72Å; L782-I821 HydrophobicContact CD2-CG2 4.39Å; Q785-I821 HydrophobicContact CB-CD1 3.77Å; Q785-I821 HydrophobicContact CG-CD1 3.76Å; T817-I821 VanDerWaalsContact O-CD1 3.3Å; T817-I821 WeakPolarHBondContact O-CD1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.24Å; T817-I821 PolarHBondContact O-N 3.44Å; T817-I821 VanDerWaalsContact O-N 3.1Å; L819-I821 PolarHBondContact O-N 2.88Å; I821-I823 PolarHBondContact O-N 3.22Å; I821-S824 CarbonylContact O-C 2.84Å; I821-S824 PolarHBondContact O-N 3.28Å; I821-S824 VanDerWaalsContact O-N 3.17Å; I821-M825 HydrophobicContact CG2-CG 4.28Å; I821-M825 HydrophobicContact CG2-SD 3.92Å; I821-M825 WeakPolarHBondContact O-CG 3.36Å; I821-M825 PolarHBondContact O-N 3.44Å
822	Q	80.9	Confident	83.1	Confident	21 Å²	21	46.6 Å²	46.6	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-48.9	179.2	-68.2	-78	52	0	0	111.2	D818 L819 S824 M825 D826	D818-Q822 WeakPolarHBondContact O-CG 3.32Å; D818-Q822 PolarHBondContact O-N 2.92Å; L819-Q822 PolarHBondContact O-N 3.24Å; L819-Q822 VanDerWaalsContact O-N 3.11Å; Q822-S824 PolarHBondContact O-N 3.26Å; Q822-M825 WeakPolarHBondContact O-CB 3.48Å; Q822-M825 PolarHBondContact O-N 2.8Å; Q822-D826 PolarHBondContact O-N 2.97Å
823	I	84.4	Confident	83.1	Confident	104 Å²	104	45.3 Å²	45.3	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-38.3	177.8	-64.6	166.6	0	0	0	110.8	L819 I821 A827	L819-I823 HydrophobicContact CD1-CD1 4.19Å; L819-I823 HydrophobicContact CD1-CG1 4.45Å; L819-I823 HydrophobicContact CG-CD1 4Å; L819-I823 WeakPolarHBondContact O-CG1 3.25Å; L819-I823 PolarHBondContact O-N 3.33Å; I821-I823 PolarHBondContact O-N 3.22Å; I823-A827 WeakPolarHBondContact O-CB 3.45Å; I823-A827 PolarHBondContact O-N 2.87Å
824	S	82.7	Confident	83.2	Confident	8 Å²	8	46.4 Å²	46.4	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-74.1	-29.2	176.4	-159.8	0	0	0	0	113.7	L778 D820 I821 Q822 V828	L778-S824 WeakPolarHBondContact CA-OG 3.05Å; L778-S824 WeakPolarHBondContact CB-OG 2.88Å; L778-S824 PolarHBondContact N-OG 2.98Å; L778-S824 VanDerWaalsContact N-OG 3.14Å; D820-S824 WeakPolarHBondContact O-CB 3.36Å; D820-S824 PolarHBondContact O-N 3.4Å; D820-S824 VanDerWaalsContact O-N 3.08Å; I821-S824 CarbonylContact O-C 2.84Å; I821-S824 PolarHBondContact O-N 3.28Å; I821-S824 VanDerWaalsContact O-N 3.17Å; Q822-S824 PolarHBondContact O-N 3.26Å; S824-V828 WeakPolarHBondContact O-CG2 3.33Å; S824-V828 PolarHBondContact O-N 2.89Å
825	M	80.3	Confident	83.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.3	-45.2	170.6	-70.4	175.2	72.9	0	0	110.5	L778 I821 Q822 A827 V828 R829 L891 A894 E896 M912	L778-M825 HydrophobicContact CD1-CG 3.75Å; I821-M825 HydrophobicContact CG2-CG 4.28Å; I821-M825 HydrophobicContact CG2-SD 3.92Å; I821-M825 WeakPolarHBondContact O-CG 3.36Å; I821-M825 PolarHBondContact O-N 3.44Å; Q822-M825 WeakPolarHBondContact O-CB 3.48Å; Q822-M825 PolarHBondContact O-N 2.8Å; M825-A827 PolarHBondContact O-N 3.04Å; M825-V828 CarbonylContact O-C 3.24Å; M825-V828 WeakPolarHBondContact O-CA 3.48Å; M825-V828 PolarHBondContact O-N 2.84Å; M825-V828 VanDerWaalsContact O-N 3.1Å; M825-R829 WeakPolarHBondContact O-CG 3.26Å; M825-R829 PolarHBondContact O-N 2.88Å; M825-L891 HydrophobicContact CB-CD2 4.11Å; M825-L891 HydrophobicContact CE-CD2 4.43Å; M825-L891 HydrophobicContact CG-CD2 4.34Å; M825-A894 HydrophobicContact CE-CB 3.79Å; M825-A894 HydrophobicContact CG-CB 4.01Å; M825-A894 HydrophobicContact SD-CB 3.78Å; M825-E896 HydrophobicContact CE-CB 4.17Å; M825-M912 HydrophobicContact CE-CE 4.19Å; M825-M912 HydrophobicContact SD-CE 4.33Å
826	D	81.3	Confident	83.4	Confident	84 Å²	84	49.4 Å²	49.4	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-38.3	178.5	-69.6	-36.3	0	0	0	112.5	Q822 V828 R829 Y830	Q822-D826 PolarHBondContact O-N 2.97Å; D826-V828 VanDerWaalsContact C-N 3.32Å; D826-V828 PolarHBondContact O-N 3.49Å; D826-R829 PolarHBondContact O-N 2.84Å; D826-R829 IonicContact OD1-CZ 2.71Å; D826-R829 IonicContact OD1-NH1 3.63Å; D826-R829 PolarHBondContact OD1-NH1 3.28Å; D826-Y830 WeakPolarHBondContact O-CB 3.45Å; D826-Y830 PolarHBondContact O-N 3.29Å
827	A	83.1	Confident	83.3	Confident	37 Å²	37	49 Å²	49	31%	0.306	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-40	170.2	0	0	0	0	0	112.2	A774 I823 M825 H831	A774-A827 HydrophobicContact CB-CB 4.38Å; I823-A827 WeakPolarHBondContact O-CB 3.45Å; I823-A827 PolarHBondContact O-N 2.87Å; M825-A827 PolarHBondContact O-N 3.04Å; A827-H831 PolarHBondContact O-CD2 3.24Å; A827-H831 PolarHBondContact O-N 3.28Å; A827-H831 VanDerWaalsContact O-N 3.09Å
828	V	82.9	Confident	83.4	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-38.4	175.2	166.3	0	0	0	0	111.8	A774 L778 S824 M825 D826 H831 L832 L887 L891	A774-V828 HydrophobicContact CB-CG2 4.34Å; L778-V828 HydrophobicContact CB-CG2 4.41Å; L778-V828 HydrophobicContact CD2-CB 4.35Å; L778-V828 HydrophobicContact CD2-CG1 4.48Å; L778-V828 HydrophobicContact CD2-CG2 4Å; S824-V828 WeakPolarHBondContact O-CG2 3.33Å; S824-V828 PolarHBondContact O-N 2.89Å; M825-V828 CarbonylContact O-C 3.24Å; M825-V828 WeakPolarHBondContact O-CA 3.48Å; M825-V828 PolarHBondContact O-N 2.84Å; M825-V828 VanDerWaalsContact O-N 3.1Å; D826-V828 VanDerWaalsContact C-N 3.32Å; D826-V828 PolarHBondContact O-N 3.49Å; V828-H831 PolarHBondContact O-N 3.39Å; V828-L832 VanDerWaalsContact O-CB 3.24Å; V828-L832 WeakPolarHBondContact O-CB 3.46Å; V828-L832 PolarHBondContact O-N 3.32Å; V828-L887 HydrophobicContact CG1-CB 4.16Å; V828-L887 HydrophobicContact CG1-CD2 4.07Å; V828-L891 HydrophobicContact CB-CD2 4.25Å; V828-L891 HydrophobicContact CG1-CD1 4.02Å; V828-L891 HydrophobicContact CG1-CD2 3.86Å; V828-L891 HydrophobicContact CG1-CG 3.72Å
829	R	82.2	Confident	83.6	Confident	54 Å²	54	51.6 Å²	51.6	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-43.3	173	-70.7	173.1	-177	130.9	-6.1	111.7	M825 D826 L832 S833 L891 E896	M825-R829 WeakPolarHBondContact O-CG 3.26Å; M825-R829 PolarHBondContact O-N 2.88Å; D826-R829 PolarHBondContact O-N 2.84Å; D826-R829 IonicContact OD1-CZ 2.71Å; D826-R829 IonicContact OD1-NH1 3.63Å; D826-R829 PolarHBondContact OD1-NH1 3.28Å; R829-L832 PolarHBondContact O-N 2.85Å; R829-S833 PolarHBondContact O-N 3.08Å; R829-L891 HydrophobicContact CG-CD1 4.02Å; R829-L891 HydrophobicContact CG-CD2 4.09Å; R829-E896 IonicContact CZ-OE1 3.8Å; R829-E896 IonicContact CZ-OE2 3.73Å; R829-E896 IonicContact NE-OE1 2.74Å; R829-E896 PolarHBondContact NE-OE1 3.5Å; R829-E896 VanDerWaalsContact NE-OE1 3.13Å; R829-E896 IonicContact NE-OE2 3.77Å; R829-E896 PolarHBondContact NE-OE2 3.15Å; R829-E896 IonicContact NH2-OE1 3.02Å; R829-E896 PolarHBondContact NH2-OE1 2.99Å; R829-E896 IonicContact NH2-OE2 2.68Å
830	Y	84.4	Confident	83.8	Confident	156 Å²	156	55.2 Å²	55.2	61%	0.612	27%	0.273	S	S	*	.	H	α-helix	trans	-59.5	-49.5	174.9	173.5	-98.5	0	0	0	111.7	D826 L832 S833 H834	D826-Y830 WeakPolarHBondContact O-CB 3.45Å; D826-Y830 PolarHBondContact O-N 3.29Å; Y830-L832 PolarHBondContact O-N 2.71Å; Y830-S833 PolarHBondContact O-N 3.27Å; Y830-H834 PolarHBondContact O-N 2.96Å
831	H	84.6	Confident	83.8	Confident	39 Å²	39	56.8 Å²	56.8	18%	0.181	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-41.8	175.5	-73.8	-56.3	0	0	0	112.3	A827 V828 H834 F835 L887	A827-H831 PolarHBondContact O-CD2 3.24Å; A827-H831 PolarHBondContact O-N 3.28Å; A827-H831 VanDerWaalsContact O-N 3.09Å; V828-H831 PolarHBondContact O-N 3.39Å; H831-H834 PolarHBondContact O-N 3.48Å; H831-F835 HydrophobicContact CB-CD2 4.4Å; H831-F835 HydrophobicContact CB-CE2 4.24Å; H831-F835 WeakPolarHBondContact O-CD2 3.48Å; H831-F835 WeakPolarHBondContact O-CG 3.41Å; H831-F835 PolarHBondContact O-N 3.5Å; H831-L887 HydrophobicContact CB-CD1 4.47Å
832	L	85.1	Confident	84	Confident	18 Å²	18	58 Å²	58	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-45.5	177	175.8	60.4	0	0	0	111.9	V828 R829 Y830 F835 M836 I884 L887 Q888 L891	V828-L832 VanDerWaalsContact O-CB 3.24Å; V828-L832 WeakPolarHBondContact O-CB 3.46Å; V828-L832 PolarHBondContact O-N 3.32Å; R829-L832 PolarHBondContact O-N 2.85Å; Y830-L832 PolarHBondContact O-N 2.71Å; L832-F835 PolarHBondContact O-N 3.19Å; L832-M836 HydrophobicContact CD1-CG 4.38Å; L832-M836 HydrophobicContact CD1-SD 4.26Å; L832-M836 HydrophobicContact CG-SD 4.25Å; L832-M836 WeakPolarHBondContact O-CG 3.36Å; L832-M836 PolarHBondContact O-N 3.23Å; L832-I884 HydrophobicContact CD1-CB 4.29Å; L832-I884 HydrophobicContact CD1-CG1 4.2Å; L832-I884 HydrophobicContact CD1-CG2 3.93Å; L832-L887 HydrophobicContact CB-CD1 4.44Å; L832-L887 HydrophobicContact CD1-CB 4.46Å; L832-Q888 HydrophobicContact CD1-CG 3.98Å; L832-Q888 HydrophobicContact CD2-CG 3.84Å; L832-L891 HydrophobicContact CD2-CD1 3.72Å
833	S	84.6	Confident	84.3	Confident	64 Å²	64	58.8 Å²	58.8	45%	0.448	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-50.3	174.7	-165	0	0	0	0	110.8	R829 Y830 F835 M836 D837	R829-S833 PolarHBondContact O-N 3.08Å; Y830-S833 PolarHBondContact O-N 3.27Å; S833-F835 VanDerWaalsContact C-N 3.28Å; S833-F835 PolarHBondContact O-N 3.41Å; S833-M836 WeakPolarHBondContact O-CB 3.09Å; S833-M836 PolarHBondContact O-N 3.44Å; S833-D837 PolarHBondContact O-N 3Å
834	H	84.5	Confident	84.4	Confident	79 Å²	79	56.7 Å²	56.7	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-33.8	178.6	-172.4	-48.1	0	0	0	112.3	Y830 H831 S838	Y830-H834 PolarHBondContact O-N 2.96Å; H831-H834 PolarHBondContact O-N 3.48Å; H834-S838 VanDerWaalsContact O-CB 3.23Å; H834-S838 WeakPolarHBondContact O-CB 3.41Å; H834-S838 PolarHBondContact O-N 3.21Å
835	F	84.6	Confident	84.5	Confident	25 Å²	25	63.9 Å²	63.9	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-71	-37.3	172.6	-75	-57.7	0	0	0	112.4	A771 H831 L832 S833 S838 R839 I884 L887	A771-F835 HydrophobicContact CB-CE2 3.63Å; A771-F835 HydrophobicContact CB-CZ 3.68Å; H831-F835 HydrophobicContact CB-CD2 4.4Å; H831-F835 HydrophobicContact CB-CE2 4.24Å; H831-F835 WeakPolarHBondContact O-CD2 3.48Å; H831-F835 WeakPolarHBondContact O-CG 3.41Å; H831-F835 PolarHBondContact O-N 3.5Å; L832-F835 PolarHBondContact O-N 3.19Å; S833-F835 VanDerWaalsContact C-N 3.28Å; S833-F835 PolarHBondContact O-N 3.41Å; F835-S838 PolarHBondContact O-N 3.42Å; F835-R839 VanDerWaalsContact O-CB 3.29Å; F835-R839 WeakPolarHBondContact O-CB 3.49Å; F835-R839 PolarHBondContact O-N 3.44Å; F835-I884 HydrophobicContact CB-CD1 4.23Å; F835-I884 HydrophobicContact CB-CG1 3.84Å; F835-L887 HydrophobicContact CD2-CD1 3.75Å; F835-L887 HydrophobicContact CE2-CD1 3.94Å
836	M	85.1	Confident	84.8	Confident	96 Å²	96	64.9 Å²	64.9	47%	0.473	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-44.3	173.7	-74.9	175	51.7	0	0	111.8	L832 S833 R839 K840 I884	L832-M836 HydrophobicContact CD1-CG 4.38Å; L832-M836 HydrophobicContact CD1-SD 4.26Å; L832-M836 HydrophobicContact CG-SD 4.25Å; L832-M836 WeakPolarHBondContact O-CG 3.36Å; L832-M836 PolarHBondContact O-N 3.23Å; S833-M836 WeakPolarHBondContact O-CB 3.09Å; S833-M836 PolarHBondContact O-N 3.44Å; M836-R839 PolarHBondContact O-N 3.27Å; M836-K840 WeakPolarHBondContact O-CB 3.37Å; M836-K840 PolarHBondContact O-N 3.05Å; M836-I884 HydrophobicContact CG-CD1 4.12Å; M836-I884 HydrophobicContact CG-CG1 4.48Å
837	D	84.1	Confident	85.1	Confident	88 Å²	88	68.3 Å²	68.3	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-44.4	175.6	-69.7	-47	0	0	0	111.7	S833 R839 K840 T841	S833-D837 PolarHBondContact O-N 3Å; D837-R839 VanDerWaalsContact C-N 3.35Å; D837-R839 PolarHBondContact O-N 3.07Å; D837-K840 WeakPolarHBondContact O-CB 3.31Å; D837-K840 PolarHBondContact O-N 3Å; D837-T841 WeakPolarHBondContact O-CG2 3.23Å; D837-T841 PolarHBondContact O-N 3.19Å
838	S	83.6	Confident	85.2	Confident	32 Å²	32	70.2 Å²	70.2	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-47.5	173.7	-171.7	0	0	0	0	111	H834 F835 K840 T841 L842 Q880	H834-S838 VanDerWaalsContact O-CB 3.23Å; H834-S838 WeakPolarHBondContact O-CB 3.41Å; H834-S838 PolarHBondContact O-N 3.21Å; F835-S838 PolarHBondContact O-N 3.42Å; S838-K840 VanDerWaalsContact C-N 3.31Å; S838-K840 PolarHBondContact O-N 3.25Å; S838-T841 PolarHBondContact O-N 3.24Å; S838-T841 VanDerWaalsContact O-N 3.15Å; S838-T841 PolarHBondContact O-OG1 3.03Å; S838-L842 PolarHBondContact O-N 3.5Å; S838-Q880 PolarHBondContact OG-NE2 3.45Å
839	R	86.4	Confident	85.2	Confident	72 Å²	72	70.4 Å²	70.4	27%	0.272	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-36.8	-179.8	-163.6	-177	70	142.1	4.6	111.4	F835 M836 D837 L842 C843 I877 Q880 T881 I884	F835-R839 VanDerWaalsContact O-CB 3.29Å; F835-R839 WeakPolarHBondContact O-CB 3.49Å; F835-R839 PolarHBondContact O-N 3.44Å; M836-R839 PolarHBondContact O-N 3.27Å; D837-R839 VanDerWaalsContact C-N 3.35Å; D837-R839 PolarHBondContact O-N 3.07Å; R839-L842 PolarHBondContact O-N 3.34Å; R839-C843 WeakPolarHBondContact O-CB 3.44Å; R839-C843 PolarHBondContact O-N 3.26Å; R839-C843 PolarHBondContact O-SG 3.38Å; R839-I877 HydrophobicContact CG-CG2 4.21Å; R839-Q880 HydrophobicContact CB-CB 4.43Å; R839-Q880 HydrophobicContact CG-CB 4.37Å; R839-Q880 VanDerWaalsContact N-OE1 3.13Å; R839-T881 VanDerWaalsContact CD-OG1 3.27Å; R839-T881 WeakPolarHBondContact CD-OG1 3.49Å; R839-T881 PolarHBondContact NH1-OG1 3.1Å; R839-I884 HydrophobicContact CB-CD1 4.21Å
840	K	87.7	Confident	85.2	Confident	132 Å²	132	72.1 Å²	72.1	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-56.6	-51.9	170.9	-178.9	-175.5	174.7	-171.3	0	110.6	M836 D837 S838 L842 C843 D844	M836-K840 WeakPolarHBondContact O-CB 3.37Å; M836-K840 PolarHBondContact O-N 3.05Å; D837-K840 WeakPolarHBondContact O-CB 3.31Å; D837-K840 PolarHBondContact O-N 3Å; S838-K840 VanDerWaalsContact C-N 3.31Å; S838-K840 PolarHBondContact O-N 3.25Å; K840-L842 VanDerWaalsContact C-N 3.31Å; K840-L842 PolarHBondContact O-N 3.27Å; K840-C843 PolarHBondContact O-N 2.99Å; K840-C843 VanDerWaalsContact O-N 3.16Å; K840-D844 PolarHBondContact O-N 3.17Å
841	T	85.8	Confident	85	Confident	81 Å²	81	67.7 Å²	67.7	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-31.6	178.3	66.3	0	0	0	0	114.2	D837 S838 R845	D837-T841 WeakPolarHBondContact O-CG2 3.23Å; D837-T841 PolarHBondContact O-N 3.19Å; S838-T841 PolarHBondContact O-N 3.24Å; S838-T841 VanDerWaalsContact O-N 3.15Å; S838-T841 PolarHBondContact O-OG1 3.03Å; T841-R845 WeakPolarHBondContact O-CB 3.35Å; T841-R845 WeakPolarHBondContact O-CG 3.39Å; T841-R845 PolarHBondContact O-N 3.21Å
842	L	86.6	Confident	84.8	Confident	27 Å²	27	70.7 Å²	70.7	14%	0.141	35%	0.354	C	S	.	.	H	α-helix	trans	-70.5	-42.5	172.5	-66.5	-175	0	0	0	111.9	S838 R839 K840 D844 R845 L846 L873 I877	S838-L842 PolarHBondContact O-N 3.5Å; R839-L842 PolarHBondContact O-N 3.34Å; K840-L842 VanDerWaalsContact C-N 3.31Å; K840-L842 PolarHBondContact O-N 3.27Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-D844 PolarHBondContact O-N 3.13Å; L842-R845 WeakPolarHBondContact O-CB 3.46Å; L842-R845 PolarHBondContact O-N 2.81Å; L842-L846 WeakPolarHBondContact O-CB 3.46Å; L842-L846 PolarHBondContact O-N 2.82Å; L842-L873 HydrophobicContact CD2-CD2 3.92Å; L842-I877 HydrophobicContact CB-CD1 4.05Å; L842-I877 HydrophobicContact CB-CG1 3.69Å; L842-I877 HydrophobicContact CD1-CG1 4.28Å
843	C	86.9	Confident	84.3	Confident	36 Å²	36	70.8 Å²	70.8	24%	0.243	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-39.2	175	-71	0	0	0	0	112.2	R839 K840 L846 R847	R839-C843 WeakPolarHBondContact O-CB 3.44Å; R839-C843 PolarHBondContact O-N 3.26Å; R839-C843 PolarHBondContact O-SG 3.38Å; K840-C843 PolarHBondContact O-N 2.99Å; K840-C843 VanDerWaalsContact O-N 3.16Å; C843-L846 PolarHBondContact O-N 3.49Å; C843-R847 WeakPolarHBondContact O-CB 3.16Å; C843-R847 WeakPolarHBondContact O-CD 3.27Å; C843-R847 VanDerWaalsContact O-CG 3.26Å; C843-R847 WeakPolarHBondContact O-CG 3.45Å; C843-R847 PolarHBondContact O-N 3.22Å
844	D	86.9	Confident	83.8	Confident	60 Å²	60	72.6 Å²	72.6	32%	0.321	36%	0.355	S	S	.	.	H	α-helix	trans	-72.6	-32.3	178	-66.2	-30	0	0	0	111.6	K840 L842 R847 T848	K840-D844 PolarHBondContact O-N 3.17Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-D844 PolarHBondContact O-N 3.13Å; D844-R847 IonicContact OD1-CZ 3.43Å; D844-R847 IonicContact OD1-NH1 3.06Å; D844-R847 PolarHBondContact OD1-NH1 3.39Å; D844-T848 WeakPolarHBondContact O-CB 3.36Å; D844-T848 PolarHBondContact O-N 3.36Å; D844-T848 PolarHBondContact O-OG1 3.04Å
845	R	84.4	Confident	83.3	Confident	160 Å²	160	72 Å²	72	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-63.1	-49.4	165.7	-83.3	-178.7	167.2	-147.5	-3.2	112.2	T841 L842 R847 T848 I849 L873	T841-R845 WeakPolarHBondContact O-CB 3.35Å; T841-R845 WeakPolarHBondContact O-CG 3.39Å; T841-R845 PolarHBondContact O-N 3.21Å; L842-R845 WeakPolarHBondContact O-CB 3.46Å; L842-R845 PolarHBondContact O-N 2.81Å; R845-R847 PolarHBondContact O-N 3.16Å; R845-T848 WeakPolarHBondContact O-CA 3.48Å; R845-T848 WeakPolarHBondContact O-CB 3.24Å; R845-T848 PolarHBondContact O-N 3.47Å; R845-I849 WeakPolarHBondContact O-CD1 3.39Å; R845-I849 WeakPolarHBondContact O-CG1 3.25Å; R845-I849 PolarHBondContact O-N 2.79Å; R845-L873 HydrophobicContact CB-CD1 4.35Å
846	L	86.6	Confident	82.4	Confident	21 Å²	21	71.6 Å²	71.6	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-55.9	-51.4	179.1	179.9	65.4	0	0	0	110.3	L842 C843 T848 I849 E850 V870 L873 I877	L842-L846 WeakPolarHBondContact O-CB 3.46Å; L842-L846 PolarHBondContact O-N 2.82Å; C843-L846 PolarHBondContact O-N 3.49Å; L846-T848 VanDerWaalsContact C-N 3.27Å; L846-T848 PolarHBondContact O-N 2.81Å; L846-I849 CarbonylContact O-C 3.58Å; L846-I849 WeakPolarHBondContact O-CA 3.36Å; L846-I849 PolarHBondContact O-N 3.17Å; L846-E850 HydrophobicContact CD1-CG 4.32Å; L846-E850 HydrophobicContact CG-CG 4.29Å; L846-E850 WeakPolarHBondContact O-CG 3.33Å; L846-E850 PolarHBondContact O-N 3.46Å; L846-V870 HydrophobicContact CD1-CB 4.23Å; L846-V870 HydrophobicContact CD1-CG1 4.06Å; L846-V870 HydrophobicContact CD1-CG2 4.02Å; L846-L873 HydrophobicContact CB-CD1 4.4Å; L846-L873 HydrophobicContact CD1-CB 4.09Å; L846-L873 HydrophobicContact CD1-CD1 4.45Å; L846-I877 HydrophobicContact CB-CD1 4.15Å; L846-I877 HydrophobicContact CD2-CD1 3.8Å
847	R	86.9	Confident	81.2	Confident	156 Å²	156	73.9 Å²	73.9	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-55.1	-39.4	173.4	-73.5	164.4	170.1	173.9	-8.8	113.4	C843 D844 R845 I849 A851	C843-R847 WeakPolarHBondContact O-CB 3.16Å; C843-R847 WeakPolarHBondContact O-CD 3.27Å; C843-R847 VanDerWaalsContact O-CG 3.26Å; C843-R847 WeakPolarHBondContact O-CG 3.45Å; C843-R847 PolarHBondContact O-N 3.22Å; D844-R847 IonicContact OD1-CZ 3.43Å; D844-R847 IonicContact OD1-NH1 3.06Å; D844-R847 PolarHBondContact OD1-NH1 3.39Å; R845-R847 PolarHBondContact O-N 3.16Å; R847-I849 VanDerWaalsContact C-N 3.27Å; R847-I849 PolarHBondContact O-N 2.86Å; R847-A851 VanDerWaalsContact O-CB 3.24Å; R847-A851 WeakPolarHBondContact O-CB 3.3Å; R847-A851 PolarHBondContact O-N 2.92Å
848	T	85.8	Confident	80	Confident	77 Å²	77	77.5 Å²	77.5	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-31.4	177.5	-59	0	0	0	0	111.7	D844 R845 L846 K852	D844-T848 WeakPolarHBondContact O-CB 3.36Å; D844-T848 PolarHBondContact O-N 3.36Å; D844-T848 PolarHBondContact O-OG1 3.04Å; R845-T848 WeakPolarHBondContact O-CA 3.48Å; R845-T848 WeakPolarHBondContact O-CB 3.24Å; R845-T848 PolarHBondContact O-N 3.47Å; L846-T848 VanDerWaalsContact C-N 3.27Å; L846-T848 PolarHBondContact O-N 2.81Å; T848-K852 WeakPolarHBondContact O-CD 3.35Å; T848-K852 VanDerWaalsContact O-CG 3.26Å; T848-K852 WeakPolarHBondContact O-CG 3.44Å; T848-K852 PolarHBondContact O-N 3.03Å
849	I	82.4	Confident	78.8	Confident	6 Å²	6	81.7 Å²	81.7	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-84.4	-39.4	177.3	-63.6	150.6	0	0	0	110.9	R845 L846 R847 A851 K852 M853 Y866 E869 V870 L873	R845-I849 WeakPolarHBondContact O-CD1 3.39Å; R845-I849 WeakPolarHBondContact O-CG1 3.25Å; R845-I849 PolarHBondContact O-N 2.79Å; L846-I849 CarbonylContact O-C 3.58Å; L846-I849 WeakPolarHBondContact O-CA 3.36Å; L846-I849 PolarHBondContact O-N 3.17Å; R847-I849 VanDerWaalsContact C-N 3.27Å; R847-I849 PolarHBondContact O-N 2.86Å; I849-A851 VanDerWaalsContact C-N 3.33Å; I849-A851 PolarHBondContact O-N 3.28Å; I849-K852 CarbonylContact O-C 3.53Å; I849-K852 WeakPolarHBondContact O-CA 3.45Å; I849-K852 WeakPolarHBondContact O-CB 3.4Å; I849-K852 PolarHBondContact O-N 2.99Å; I849-K852 VanDerWaalsContact O-N 3.1Å; I849-M853 WeakPolarHBondContact O-CG 3.48Å; I849-M853 PolarHBondContact O-N 2.73Å; I849-Y866 HydrophobicContact CG2-CD1 3.93Å; I849-Y866 HydrophobicContact CG2-CG 4.43Å; I849-E869 HydrophobicContact CD1-CG 3.79Å; I849-E869 WeakPolarHBondContact CD1-OE1 3.49Å; I849-E869 WeakPolarHBondContact CD1-OE2 3.4Å; I849-V870 HydrophobicContact CB-CG2 4.48Å; I849-V870 HydrophobicContact CG2-CG2 3.72Å; I849-L873 HydrophobicContact CD1-CD1 3.31Å
850	E	81.7	Confident	77.2	Confident	89 Å²	89	81.6 Å²	81.6	42%	0.416	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-43.3	171.3	-69.4	173	142.8	0	0	111.5	L846 K852 M853 E854	L846-E850 HydrophobicContact CD1-CG 4.32Å; L846-E850 HydrophobicContact CG-CG 4.29Å; L846-E850 WeakPolarHBondContact O-CG 3.33Å; L846-E850 PolarHBondContact O-N 3.46Å; E850-K852 VanDerWaalsContact C-N 3.34Å; E850-K852 PolarHBondContact O-N 3.34Å; E850-M853 HydrophobicContact CG-CE 4.37Å; E850-M853 PolarHBondContact O-N 2.79Å; E850-E854 PolarHBondContact O-N 3.35Å
851	A	81.3	Confident	75.4	Confident	64 Å²	64	81 Å²	81	53%	0.529	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-36.1	173.8	0	0	0	0	0	112.7	R847 I849 S855	R847-A851 VanDerWaalsContact O-CB 3.24Å; R847-A851 WeakPolarHBondContact O-CB 3.3Å; R847-A851 PolarHBondContact O-N 2.92Å; I849-A851 VanDerWaalsContact C-N 3.33Å; I849-A851 PolarHBondContact O-N 3.28Å; A851-S855 WeakPolarHBondContact O-CB 3.34Å; A851-S855 PolarHBondContact O-N 3.48Å
852	K	79.8	Confident	73.9	Confident	102 Å²	102	82.3 Å²	82.3	44%	0.443	43%	0.428	S	S	.	.	H	α-helix	trans	-67.5	-41.7	171.6	-74	168.1	-176.4	177.5	0	111.8	T848 I849 E850 E854 S855 C856	T848-K852 WeakPolarHBondContact O-CD 3.35Å; T848-K852 VanDerWaalsContact O-CG 3.26Å; T848-K852 WeakPolarHBondContact O-CG 3.44Å; T848-K852 PolarHBondContact O-N 3.03Å; I849-K852 CarbonylContact O-C 3.53Å; I849-K852 WeakPolarHBondContact O-CA 3.45Å; I849-K852 WeakPolarHBondContact O-CB 3.4Å; I849-K852 PolarHBondContact O-N 2.99Å; I849-K852 VanDerWaalsContact O-N 3.1Å; E850-K852 VanDerWaalsContact C-N 3.34Å; E850-K852 PolarHBondContact O-N 3.34Å; K852-E854 PolarHBondContact O-N 3.22Å; K852-S855 WeakPolarHBondContact O-CB 3.5Å; K852-S855 PolarHBondContact O-N 2.97Å; K852-C856 WeakPolarHBondContact O-CB 3.3Å; K852-C856 PolarHBondContact O-N 3.32Å; K852-C856 PolarHBondContact O-SG 3.32Å
853	M	75.5	Confident	72.9	Confident	20 Å²	20	84.1 Å²	84.1	10%	0.099	43%	0.433	C	S	.	.	H	α-helix	trans	-61.3	-43.4	175.5	-73.8	-160.7	-53.4	0	0	112	I849 E850 S855 C856 R857 Y863 Y866 V870	I849-M853 WeakPolarHBondContact O-CG 3.48Å; I849-M853 PolarHBondContact O-N 2.73Å; E850-M853 HydrophobicContact CG-CE 4.37Å; E850-M853 PolarHBondContact O-N 2.79Å; M853-S855 VanDerWaalsContact C-N 3.31Å; M853-S855 PolarHBondContact O-N 3.06Å; M853-C856 PolarHBondContact O-N 3.42Å; M853-R857 WeakPolarHBondContact O-CG 3.46Å; M853-R857 PolarHBondContact O-N 3.24Å; M853-Y863 HydrophobicContact CB-CE2 3.87Å; M853-Y863 HydrophobicContact CG-CE2 4.16Å; M853-Y863 HydrophobicContact SD-CE1 4.14Å; M853-Y863 HydrophobicContact SD-CE2 4.06Å; M853-Y866 VanDerWaalsContact CG-CB 3.46Å; M853-Y866 HydrophobicContact CG-CD2 4.31Å; M853-Y866 HydrophobicContact CG-CG 4.06Å; M853-V870 HydrophobicContact CE-CG2 3.74Å; M853-V870 HydrophobicContact SD-CG2 4.08Å
854	E	73.4	Confident	72	Confident	102 Å²	102	88.2 Å²	88.2	48%	0.477	45%	0.452	S	S	.	.	H	α-helix	trans	-70.4	-28.4	179	-161	63.7	-165.6	0	0	112.2	E850 K852 R857	E850-E854 PolarHBondContact O-N 3.35Å; K852-E854 PolarHBondContact O-N 3.22Å; E854-R857 IonicContact OE1-NH1 2.64Å; E854-R857 WeakPolarHBondContact OE2-CD 3.43Å; E854-R857 IonicContact OE2-CZ 3.35Å; E854-R857 IonicContact OE2-NE 3.69Å; E854-R857 IonicContact OE2-NH1 3.64Å; E854-R857 PolarHBondContact OE2-NH1 3.38Å
855	S	73.3	Confident	71.1	Confident	66 Å²	66	92.5 Å²	92.5	46%	0.462	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-53.3	165.5	-168.1	0	0	0	0	111.5	A851 K852 M853 R857 Q858	A851-S855 WeakPolarHBondContact O-CB 3.34Å; A851-S855 PolarHBondContact O-N 3.48Å; K852-S855 WeakPolarHBondContact O-CB 3.5Å; K852-S855 PolarHBondContact O-N 2.97Å; M853-S855 VanDerWaalsContact C-N 3.31Å; M853-S855 PolarHBondContact O-N 3.06Å; S855-R857 PolarHBondContact O-N 3.06Å; S855-Q858 WeakPolarHBondContact O-CB 3.46Å; S855-Q858 PolarHBondContact O-N 3.39Å
856	C	65.3	Low	70.8	Confident	16 Å²	16	87.9 Å²	87.9	11%	0.108	46%	0.456	C	S	.	.	H	α-helix	trans	-63.8	-23.6	-178	-69.9	0	0	0	0	113.7	K852 M853 Q858 D859 G860 Q861	K852-C856 WeakPolarHBondContact O-CB 3.3Å; K852-C856 PolarHBondContact O-N 3.32Å; K852-C856 PolarHBondContact O-SG 3.32Å; M853-C856 PolarHBondContact O-N 3.42Å; C856-Q858 PolarHBondContact O-N 3.43Å; C856-D859 PolarHBondContact O-N 3.48Å; C856-G860 PolarHBondContact O-N 3.36Å; C856-Q861 HydrophobicContact CB-CB 4.4Å; C856-Q861 PolarHBondContact O-N 2.96Å
857	R	61	Low	70.4	Confident	145 Å²	145	90 Å²	90	55%	0.547	47%	0.466	S	S	.	.	H	α-helix	trans	-62.5	-26.7	170.5	-85.2	169.5	170.3	-165.9	-3.3	113.8	M853 E854 S855 Y863	M853-R857 WeakPolarHBondContact O-CG 3.46Å; M853-R857 PolarHBondContact O-N 3.24Å; E854-R857 IonicContact OE1-NH1 2.64Å; E854-R857 WeakPolarHBondContact OE2-CD 3.43Å; E854-R857 IonicContact OE2-CZ 3.35Å; E854-R857 IonicContact OE2-NE 3.69Å; E854-R857 IonicContact OE2-NH1 3.64Å; E854-R857 PolarHBondContact OE2-NH1 3.38Å; S855-R857 PolarHBondContact O-N 3.06Å; R857-Y863 HydrophobicContact CG-CD2 4.27Å; R857-Y863 HydrophobicContact CG-CE2 3.78Å; R857-Y863 PolarHBondContact NE-OH 3.01Å; R857-Y863 PolarHBondContact NH2-OH 2.91Å; R857-Y863 VanDerWaalsContact NH2-OH 3.08Å
858	Q	58.4	Low	69.7	Low	163 Å²	163	89.6 Å²	89.6	76%	0.762	47%	0.471	S	S	*	.	H	α-helix	trans	-82.2	-34	177.4	-56.9	-176.8	20.8	0	0	111.2	S855 C856	S855-Q858 WeakPolarHBondContact O-CB 3.46Å; S855-Q858 PolarHBondContact O-N 3.39Å; C856-Q858 PolarHBondContact O-N 3.43Å
859	D	58.9	Low	69.4	Low	120 Å²	120	90.2 Å²	90.2	64%	0.642	47%	0.468	S	S	*	.	H	α-helix	trans	-95.6	-4.5	-177.1	-68.5	-31.9	0	0	0	115	C856 Q861	C856-D859 PolarHBondContact O-N 3.48Å; D859-Q861 HydrophobicContact CB-CG 4.42Å; D859-Q861 PolarHBondContact O-N 3.03Å
860	G	53.5	Low	69.5	Low	70 Å²	70	90.8 Å²	90.8	72%	0.722	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	25.3	175.4	0	0	0	0	0	115.6	C856	C856-G860 PolarHBondContact O-N 3.36Å
861	Q	49.5	Very low	69.3	Low	121 Å²	121	90.6 Å²	90.6	57%	0.565	47%	0.474	S	S	*	.			trans	-81.3	162.5	-178.1	-70.8	-157.6	15.9	0	0	113.7	C856 D859 Y863	C856-Q861 HydrophobicContact CB-CB 4.4Å; C856-Q861 PolarHBondContact O-N 2.96Å; D859-Q861 HydrophobicContact CB-CG 4.42Å; D859-Q861 PolarHBondContact O-N 3.03Å; Q861-Y863 PolarHBondContact O-N 3.5Å; Q861-Y863 VanDerWaalsContact O-N 3.13Å
862	P	54.9	Low	69.3	Low	108 Å²	108	90.8 Å²	90.8	70%	0.701	47%	0.472	S	S	*	.			trans	-57.9	116.2	-174.5	-25.3	35.4	0	0	0	112.9
863	Y	63.9	Low	69.5	Low	64 Å²	64	86.6 Å²	86.6	25%	0.251	45%	0.454	S	S	.	.			trans	-91.9	-25.6	-168.2	-169.1	-91.9	0	0	0	112.9	M853 R857 Q861 M865 Y866 I867	M853-Y863 HydrophobicContact CB-CE2 3.87Å; M853-Y863 HydrophobicContact CG-CE2 4.16Å; M853-Y863 HydrophobicContact SD-CE1 4.14Å; M853-Y863 HydrophobicContact SD-CE2 4.06Å; R857-Y863 HydrophobicContact CG-CD2 4.27Å; R857-Y863 HydrophobicContact CG-CE2 3.78Å; R857-Y863 PolarHBondContact NE-OH 3.01Å; R857-Y863 PolarHBondContact NH2-OH 2.91Å; R857-Y863 VanDerWaalsContact NH2-OH 3.08Å; Q861-Y863 PolarHBondContact O-N 3.5Å; Q861-Y863 VanDerWaalsContact O-N 3.13Å; Y863-M865 PolarHBondContact O-N 3.28Å; Y863-Y866 PolarHBondContact O-N 3.31Å; Y863-Y866 VanDerWaalsContact O-N 3.14Å; Y863-I867 HydrophobicContact CD1-CD1 3.63Å; Y863-I867 HydrophobicContact CD1-CG1 3.65Å; Y863-I867 HydrophobicContact CE1-CD1 3.78Å; Y863-I867 HydrophobicContact CE1-CG1 3.61Å; Y863-I867 PolarHBondContact O-N 3.43Å
864	D	68.5	Low	69.8	Low	122 Å²	122	88.1 Å²	88.1	65%	0.652	47%	0.465	S	S	*	.	H	α-helix	trans	-61.8	-39.4	-169.9	-58	-29.8	0	0	0	113.8	Y866 I867 E868	D864-Y866 PolarHBondContact O-N 3.16Å; D864-I867 WeakPolarHBondContact O-CB 3.32Å; D864-I867 PolarHBondContact O-N 3.25Å; D864-I867 VanDerWaalsContact O-N 3.08Å; D864-E868 PolarHBondContact O-N 3.37Å
865	M	69.2	Low	70.2	Confident	151 Å²	151	89.7 Å²	89.7	74%	0.744	47%	0.472	S	S	*	.	H	α-helix	trans	-59.9	-33.7	178.5	-118.6	-173.3	75.8	0	0	112.6	Y863 E869	Y863-M865 PolarHBondContact O-N 3.28Å; M865-E869 PolarHBondContact O-N 3.27Å
866	Y	76	Confident	70.6	Confident	63 Å²	63	88.9 Å²	88.9	25%	0.247	47%	0.466	C	S	.	.	H	α-helix	trans	-79.7	-27.3	177.4	-63.1	-57.2	0	0	0	112.6	I849 M853 Y863 D864 E868 V870	I849-Y866 HydrophobicContact CG2-CD1 3.93Å; I849-Y866 HydrophobicContact CG2-CG 4.43Å; M853-Y866 VanDerWaalsContact CG-CB 3.46Å; M853-Y866 HydrophobicContact CG-CD2 4.31Å; M853-Y866 HydrophobicContact CG-CG 4.06Å; Y863-Y866 PolarHBondContact O-N 3.31Å; Y863-Y866 VanDerWaalsContact O-N 3.14Å; D864-Y866 PolarHBondContact O-N 3.16Å; Y866-E868 VanDerWaalsContact C-N 3.33Å; Y866-V870 VanDerWaalsContact O-CB 3.26Å; Y866-V870 WeakPolarHBondContact O-CB 3.32Å; Y866-V870 WeakPolarHBondContact O-CG2 3.48Å; Y866-V870 PolarHBondContact O-N 3.44Å
867	I	78.3	Confident	71.5	Confident	64 Å²	64	89.1 Å²	89.1	33%	0.328	47%	0.466	S	S	.	.	H	α-helix	trans	-60	-45.6	172.1	-64.2	178	0	0	0	110.1	Y863 D864 V870 N871	Y863-I867 HydrophobicContact CD1-CD1 3.63Å; Y863-I867 HydrophobicContact CD1-CG1 3.65Å; Y863-I867 HydrophobicContact CE1-CD1 3.78Å; Y863-I867 HydrophobicContact CE1-CG1 3.61Å; Y863-I867 PolarHBondContact O-N 3.43Å; D864-I867 WeakPolarHBondContact O-CB 3.32Å; D864-I867 PolarHBondContact O-N 3.25Å; D864-I867 VanDerWaalsContact O-N 3.08Å; I867-V870 PolarHBondContact O-N 3.45Å; I867-N871 WeakPolarHBondContact CG2-ND2 3.28Å; I867-N871 WeakPolarHBondContact O-CB 3.43Å; I867-N871 PolarHBondContact O-N 3.22Å; I867-N871 PolarHBondContact O-ND2 3.44Å
868	E	73.5	Confident	72.6	Confident	149 Å²	149	88.6 Å²	88.6	70%	0.696	47%	0.47	S	S	*	.	H	α-helix	trans	-66.9	-41.6	-178.3	-64.5	-170.2	158.7	0	0	112.2	D864 Y866 N871 S872	D864-E868 PolarHBondContact O-N 3.37Å; Y866-E868 VanDerWaalsContact C-N 3.33Å; E868-N871 PolarHBondContact O-N 3.05Å; E868-S872 WeakPolarHBondContact O-CB 3.25Å; E868-S872 PolarHBondContact O-N 3.14Å
869	E	79.4	Confident	73.7	Confident	89 Å²	89	84.1 Å²	84.1	42%	0.416	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-40.5	174.6	-160.7	-179.5	-169	0	0	111.8	I849 M865 L873	I849-E869 HydrophobicContact CD1-CG 3.79Å; I849-E869 WeakPolarHBondContact CD1-OE1 3.49Å; I849-E869 WeakPolarHBondContact CD1-OE2 3.4Å; M865-E869 PolarHBondContact O-N 3.27Å; E869-L873 HydrophobicContact CG-CD1 4.3Å; E869-L873 WeakPolarHBondContact O-CB 3.28Å; E869-L873 VanDerWaalsContact O-CG 3.3Å; E869-L873 WeakPolarHBondContact O-CG 3.47Å; E869-L873 PolarHBondContact O-N 3.35Å
870	V	83.7	Confident	74.8	Confident	19 Å²	19	79.8 Å²	79.8	12%	0.115	43%	0.432	C	S	.	.	H	α-helix	trans	-64.5	-43.8	175.9	161.9	0	0	0	0	112.2	L846 I849 M853 Y866 I867 T874	L846-V870 HydrophobicContact CD1-CB 4.23Å; L846-V870 HydrophobicContact CD1-CG1 4.06Å; L846-V870 HydrophobicContact CD1-CG2 4.02Å; I849-V870 HydrophobicContact CB-CG2 4.48Å; I849-V870 HydrophobicContact CG2-CG2 3.72Å; M853-V870 HydrophobicContact CE-CG2 3.74Å; M853-V870 HydrophobicContact SD-CG2 4.08Å; Y866-V870 VanDerWaalsContact O-CB 3.26Å; Y866-V870 WeakPolarHBondContact O-CB 3.32Å; Y866-V870 WeakPolarHBondContact O-CG2 3.48Å; Y866-V870 PolarHBondContact O-N 3.44Å; I867-V870 PolarHBondContact O-N 3.45Å; V870-T874 VanDerWaalsContact O-CB 3.29Å; V870-T874 WeakPolarHBondContact O-CB 3.47Å; V870-T874 PolarHBondContact O-N 3.29Å; V870-T874 PolarHBondContact O-OG1 3.01Å
871	N	78.5	Confident	76.3	Confident	84 Å²	84	79 Å²	79	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-48.4	177.3	-71.8	-20.1	0	0	0	110.7	I867 E868 L873 T874 E875	I867-N871 WeakPolarHBondContact CG2-ND2 3.28Å; I867-N871 WeakPolarHBondContact O-CB 3.43Å; I867-N871 PolarHBondContact O-N 3.22Å; I867-N871 PolarHBondContact O-ND2 3.44Å; E868-N871 PolarHBondContact O-N 3.05Å; N871-L873 VanDerWaalsContact C-N 3.35Å; N871-L873 PolarHBondContact O-N 3.24Å; N871-T874 WeakPolarHBondContact O-CB 3.46Å; N871-T874 PolarHBondContact O-N 3.31Å; N871-T874 VanDerWaalsContact O-N 3.08Å; N871-E875 PolarHBondContact O-N 3.03Å
872	S	81.2	Confident	77.8	Confident	69 Å²	69	78.4 Å²	78.4	48%	0.483	41%	0.41	S	S	.	.	H	α-helix	trans	-59.3	-42.1	178.4	-176.8	0	0	0	0	112.8	E868 S876	E868-S872 WeakPolarHBondContact O-CB 3.25Å; E868-S872 PolarHBondContact O-N 3.14Å; S872-S876 WeakPolarHBondContact O-CB 3.31Å; S872-S876 PolarHBondContact O-N 3.41Å; S872-S876 PolarHBondContact O-OG 3.49Å
873	L	83	Confident	79.2	Confident	14 Å²	14	75.8 Å²	75.8	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-67.9	-37.7	173.9	-73.9	171.6	0	0	0	112.2	L842 R845 L846 I849 E869 N871 S876 I877	L842-L873 HydrophobicContact CD2-CD2 3.92Å; R845-L873 HydrophobicContact CB-CD1 4.35Å; L846-L873 HydrophobicContact CB-CD1 4.4Å; L846-L873 HydrophobicContact CD1-CB 4.09Å; L846-L873 HydrophobicContact CD1-CD1 4.45Å; I849-L873 HydrophobicContact CD1-CD1 3.31Å; E869-L873 HydrophobicContact CG-CD1 4.3Å; E869-L873 WeakPolarHBondContact O-CB 3.28Å; E869-L873 VanDerWaalsContact O-CG 3.3Å; E869-L873 WeakPolarHBondContact O-CG 3.47Å; E869-L873 PolarHBondContact O-N 3.35Å; N871-L873 VanDerWaalsContact C-N 3.35Å; N871-L873 PolarHBondContact O-N 3.24Å; L873-S876 PolarHBondContact O-N 3.21Å; L873-I877 WeakPolarHBondContact O-CB 3.44Å; L873-I877 WeakPolarHBondContact O-CD1 3.49Å; L873-I877 WeakPolarHBondContact O-CG1 3.42Å; L873-I877 PolarHBondContact O-N 3.34Å
874	T	83.2	Confident	80.2	Confident	52 Å²	52	73.2 Å²	73.2	32%	0.319	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-46.5	178	-61.3	0	0	0	0	111.5	V870 N871 S876 I877 Q878	V870-T874 VanDerWaalsContact O-CB 3.29Å; V870-T874 WeakPolarHBondContact O-CB 3.47Å; V870-T874 PolarHBondContact O-N 3.29Å; V870-T874 PolarHBondContact O-OG1 3.01Å; N871-T874 WeakPolarHBondContact O-CB 3.46Å; N871-T874 PolarHBondContact O-N 3.31Å; N871-T874 VanDerWaalsContact O-N 3.08Å; T874-S876 VanDerWaalsContact C-N 3.35Å; T874-S876 PolarHBondContact O-N 3.05Å; T874-I877 PolarHBondContact O-N 2.85Å; T874-Q878 WeakPolarHBondContact O-CG 3.45Å; T874-Q878 PolarHBondContact O-N 3.21Å
875	E	80.3	Confident	80.9	Confident	134 Å²	134	70.4 Å²	70.4	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-60.8	-43.5	173.9	-70.7	177.3	-174.1	0	0	111.5	N871 I877 Q878 C879	N871-E875 PolarHBondContact O-N 3.03Å; E875-I877 PolarHBondContact O-N 3.09Å; E875-Q878 PolarHBondContact O-N 3.23Å; E875-C879 WeakPolarHBondContact O-CB 3.48Å; E875-C879 PolarHBondContact O-N 2.9Å
876	S	82.1	Confident	81.5	Confident	49 Å²	49	65.9 Å²	65.9	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.9	-61.1	0	0	0	0	112.4	S872 L873 T874 C879 Q880	S872-S876 WeakPolarHBondContact O-CB 3.31Å; S872-S876 PolarHBondContact O-N 3.41Å; S872-S876 PolarHBondContact O-OG 3.49Å; L873-S876 PolarHBondContact O-N 3.21Å; T874-S876 VanDerWaalsContact C-N 3.35Å; T874-S876 PolarHBondContact O-N 3.05Å; S876-C879 PolarHBondContact O-N 3.32Å; S876-Q880 WeakPolarHBondContact O-CG 3.45Å; S876-Q880 PolarHBondContact O-N 2.82Å
877	I	84.9	Confident	81.8	Confident	22 Å²	22	63.2 Å²	63.2	11%	0.113	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-37.9	177.5	-71.4	161.8	0	0	0	111.2	R839 L842 L846 L873 T874 E875 T881	R839-I877 HydrophobicContact CG-CG2 4.21Å; L842-I877 HydrophobicContact CB-CD1 4.05Å; L842-I877 HydrophobicContact CB-CG1 3.69Å; L842-I877 HydrophobicContact CD1-CG1 4.28Å; L846-I877 HydrophobicContact CB-CD1 4.15Å; L846-I877 HydrophobicContact CD2-CD1 3.8Å; L873-I877 WeakPolarHBondContact O-CB 3.44Å; L873-I877 WeakPolarHBondContact O-CD1 3.49Å; L873-I877 WeakPolarHBondContact O-CG1 3.42Å; L873-I877 PolarHBondContact O-N 3.34Å; T874-I877 PolarHBondContact O-N 2.85Å; E875-I877 PolarHBondContact O-N 3.09Å; I877-T881 VanDerWaalsContact O-CB 3.29Å; I877-T881 WeakPolarHBondContact O-CB 3.4Å; I877-T881 PolarHBondContact O-N 3.4Å; I877-T881 PolarHBondContact O-OG1 3.21Å
878	Q	83.3	Confident	82.1	Confident	134 Å²	134	64.6 Å²	64.6	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-62.8	-48.5	173.2	-75.1	-176.4	7.5	0	0	111.2	T874 E875 Q880 T881 Q882	T874-Q878 WeakPolarHBondContact O-CG 3.45Å; T874-Q878 PolarHBondContact O-N 3.21Å; E875-Q878 PolarHBondContact O-N 3.23Å; Q878-Q880 PolarHBondContact O-N 2.96Å; Q878-T881 WeakPolarHBondContact O-CB 3.25Å; Q878-T881 PolarHBondContact O-N 3.35Å; Q878-Q882 PolarHBondContact O-N 3.08Å
879	C	81.5	Confident	82.4	Confident	69 Å²	69	61.8 Å²	61.8	47%	0.466	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-48.2	177.7	-175.5	0	0	0	0	112	E875 S876 T881 Q882 Q883	E875-C879 WeakPolarHBondContact O-CB 3.48Å; E875-C879 PolarHBondContact O-N 2.9Å; S876-C879 PolarHBondContact O-N 3.32Å; C879-T881 VanDerWaalsContact C-N 3.32Å; C879-T881 PolarHBondContact O-N 3.28Å; C879-Q882 PolarHBondContact O-N 3.1Å; C879-Q883 WeakPolarHBondContact O-CG 3.5Å; C879-Q883 PolarHBondContact O-N 2.79Å; C879-Q883 VanDerWaalsContact O-N 3.1Å
880	Q	82.2	Confident	82.4	Confident	29 Å²	29	59.8 Å²	59.8	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-32.9	174.6	-72.2	-168.3	-13.9	0	0	113.1	S838 R839 S876 Q878 Q883 I884	S838-Q880 PolarHBondContact OG-NE2 3.45Å; R839-Q880 HydrophobicContact CB-CB 4.43Å; R839-Q880 HydrophobicContact CG-CB 4.37Å; R839-Q880 VanDerWaalsContact N-OE1 3.13Å; S876-Q880 WeakPolarHBondContact O-CG 3.45Å; S876-Q880 PolarHBondContact O-N 2.82Å; Q878-Q880 PolarHBondContact O-N 2.96Å; Q880-Q883 PolarHBondContact O-N 3.44Å; Q880-I884 WeakPolarHBondContact O-CB 3.1Å; Q880-I884 WeakPolarHBondContact O-CD1 3.44Å; Q880-I884 WeakPolarHBondContact O-CG1 3.48Å; Q880-I884 PolarHBondContact O-N 3.48Å
881	T	85	Confident	82.2	Confident	53 Å²	53	59.1 Å²	59.1	33%	0.325	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-39.5	177.2	-58.5	0	0	0	0	111.7	R839 I877 Q878 C879 I884 S885	R839-T881 VanDerWaalsContact CD-OG1 3.27Å; R839-T881 WeakPolarHBondContact CD-OG1 3.49Å; R839-T881 PolarHBondContact NH1-OG1 3.1Å; I877-T881 VanDerWaalsContact O-CB 3.29Å; I877-T881 WeakPolarHBondContact O-CB 3.4Å; I877-T881 PolarHBondContact O-N 3.4Å; I877-T881 PolarHBondContact O-OG1 3.21Å; Q878-T881 WeakPolarHBondContact O-CB 3.25Å; Q878-T881 PolarHBondContact O-N 3.35Å; C879-T881 VanDerWaalsContact C-N 3.32Å; C879-T881 PolarHBondContact O-N 3.28Å; T881-I884 PolarHBondContact O-N 2.88Å; T881-S885 PolarHBondContact O-N 3.02Å
882	Q	81.8	Confident	82.1	Confident	109 Å²	109	59.9 Å²	59.9	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-62.4	-49.6	173.2	-177.6	57	48.5	0	0	110.8	Q878 C879 I884 S885 D886	Q878-Q882 PolarHBondContact O-N 3.08Å; C879-Q882 PolarHBondContact O-N 3.1Å; Q882-I884 VanDerWaalsContact C-N 3.33Å; Q882-I884 PolarHBondContact O-N 3.38Å; Q882-S885 WeakPolarHBondContact O-CB 3.47Å; Q882-S885 PolarHBondContact O-N 3.41Å; Q882-D886 VanDerWaalsContact NE2-CG 3.25Å; Q882-D886 PolarHBondContact NE2-OD1 3.06Å; Q882-D886 VanDerWaalsContact NE2-OD1 3.12Å; Q882-D886 PolarHBondContact NE2-OD2 2.71Å; Q882-D886 PolarHBondContact O-N 3.13Å
883	Q	83.3	Confident	81.7	Confident	52 Å²	52	61.3 Å²	61.3	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-42.2	177.1	-69.5	172.1	1.8	0	0	112.6	C879 Q880 S885 D886 L887	C879-Q883 WeakPolarHBondContact O-CG 3.5Å; C879-Q883 PolarHBondContact O-N 2.79Å; C879-Q883 VanDerWaalsContact O-N 3.1Å; Q880-Q883 PolarHBondContact O-N 3.44Å; Q883-S885 PolarHBondContact O-N 3.33Å; Q883-D886 PolarHBondContact O-N 3.32Å; Q883-L887 WeakPolarHBondContact O-CG 3.3Å; Q883-L887 PolarHBondContact O-N 2.97Å
884	I	84.8	Confident	81.2	Confident	11 Å²	11	61 Å²	61	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-45.5	174	-75.5	165.7	0	0	0	111	L832 F835 M836 R839 Q880 T881 Q882 D886 L887 Q888	L832-I884 HydrophobicContact CD1-CB 4.29Å; L832-I884 HydrophobicContact CD1-CG1 4.2Å; L832-I884 HydrophobicContact CD1-CG2 3.93Å; F835-I884 HydrophobicContact CB-CD1 4.23Å; F835-I884 HydrophobicContact CB-CG1 3.84Å; M836-I884 HydrophobicContact CG-CD1 4.12Å; M836-I884 HydrophobicContact CG-CG1 4.48Å; R839-I884 HydrophobicContact CB-CD1 4.21Å; Q880-I884 WeakPolarHBondContact O-CB 3.1Å; Q880-I884 WeakPolarHBondContact O-CD1 3.44Å; Q880-I884 WeakPolarHBondContact O-CG1 3.48Å; Q880-I884 PolarHBondContact O-N 3.48Å; T881-I884 PolarHBondContact O-N 2.88Å; Q882-I884 VanDerWaalsContact C-N 3.33Å; Q882-I884 PolarHBondContact O-N 3.38Å; I884-D886 PolarHBondContact O-N 2.83Å; I884-L887 PolarHBondContact O-N 3.22Å; I884-Q888 WeakPolarHBondContact O-CB 3.44Å; I884-Q888 VanDerWaalsContact O-CG 3.25Å; I884-Q888 WeakPolarHBondContact O-CG 3.48Å; I884-Q888 PolarHBondContact O-N 3.08Å
885	S	84.1	Confident	80.4	Confident	62 Å²	62	60.8 Å²	60.8	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-41.5	177.4	-168.7	0	0	0	0	112.2	T881 Q882 Q883 Q888 Q889	T881-S885 PolarHBondContact O-N 3.02Å; Q882-S885 WeakPolarHBondContact O-CB 3.47Å; Q882-S885 PolarHBondContact O-N 3.41Å; Q883-S885 PolarHBondContact O-N 3.33Å; S885-Q888 PolarHBondContact O-N 3.35Å; S885-Q889 WeakPolarHBondContact O-CB 3.19Å; S885-Q889 PolarHBondContact O-N 3.11Å
886	D	82.4	Confident	79.4	Confident	56 Å²	56	56.8 Å²	56.8	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-68.5	-36.7	-178.9	-72.6	-39.5	0	0	0	112.7	Q882 Q883 I884 K890	Q882-D886 VanDerWaalsContact NE2-CG 3.25Å; Q882-D886 PolarHBondContact NE2-OD1 3.06Å; Q882-D886 VanDerWaalsContact NE2-OD1 3.12Å; Q882-D886 PolarHBondContact NE2-OD2 2.71Å; Q882-D886 PolarHBondContact O-N 3.13Å; Q883-D886 PolarHBondContact O-N 3.32Å; I884-D886 PolarHBondContact O-N 2.83Å; D886-K890 WeakPolarHBondContact O-CD 3.48Å; D886-K890 VanDerWaalsContact O-CG 3.26Å; D886-K890 WeakPolarHBondContact O-CG 3.41Å; D886-K890 PolarHBondContact O-N 3.09Å
887	L	82.4	Confident	77.9	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-72.4	-40	173.3	-64.7	179.1	0	0	0	111.8	E775 V828 H831 L832 F835 Q883 I884 K890 L891	E775-L887 HydrophobicContact CB-CD2 4.14Å; E775-L887 HydrophobicContact CG-CD2 4.08Å; V828-L887 HydrophobicContact CG1-CB 4.16Å; V828-L887 HydrophobicContact CG1-CD2 4.07Å; H831-L887 HydrophobicContact CB-CD1 4.47Å; L832-L887 HydrophobicContact CB-CD1 4.44Å; L832-L887 HydrophobicContact CD1-CB 4.46Å; F835-L887 HydrophobicContact CD2-CD1 3.75Å; F835-L887 HydrophobicContact CE2-CD1 3.94Å; Q883-L887 WeakPolarHBondContact O-CG 3.3Å; Q883-L887 PolarHBondContact O-N 2.97Å; I884-L887 PolarHBondContact O-N 3.22Å; L887-K890 PolarHBondContact O-N 3.15Å; L887-L891 PolarHBondContact O-N 2.64Å
888	Q	83.9	Confident	76	Confident	94 Å²	94	68.8 Å²	68.8	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-43	175.8	-77.2	176	-13.3	0	0	112.2	L832 I884 S885 K890 L891 M892	L832-Q888 HydrophobicContact CD1-CG 3.98Å; L832-Q888 HydrophobicContact CD2-CG 3.84Å; I884-Q888 WeakPolarHBondContact O-CB 3.44Å; I884-Q888 VanDerWaalsContact O-CG 3.25Å; I884-Q888 WeakPolarHBondContact O-CG 3.48Å; I884-Q888 PolarHBondContact O-N 3.08Å; S885-Q888 PolarHBondContact O-N 3.35Å; Q888-K890 VanDerWaalsContact C-N 3.32Å; Q888-K890 PolarHBondContact O-N 3.42Å; Q888-L891 PolarHBondContact O-N 2.92Å; Q888-M892 PolarHBondContact O-N 3.21Å
889	Q	79.6	Confident	74.1	Confident	90 Å²	90	66.7 Å²	66.7	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-59.4	-43.5	173.6	-178.5	62.1	49.7	0	0	111.2	S885 L891 M892 D893	S885-Q889 WeakPolarHBondContact O-CB 3.19Å; S885-Q889 PolarHBondContact O-N 3.11Å; Q889-L891 PolarHBondContact O-N 2.87Å; Q889-M892 WeakPolarHBondContact O-CB 3.39Å; Q889-M892 PolarHBondContact O-N 3.49Å; Q889-M892 VanDerWaalsContact OE1-CE 3.28Å; Q889-D893 PolarHBondContact NE2-OD1 2.82Å; Q889-D893 PolarHBondContact O-N 3.2Å
890	K	79.6	Confident	72.1	Confident	46 Å²	46	69.3 Å²	69.3	20%	0.2	37%	0.374	C	S	.	.	H	α-helix	trans	-72.3	-27.9	-177.3	-71.4	167.1	-173.3	122.5	0	113.7	E775 L778 D886 L887 Q888 A894	E775-K890 HydrophobicContact CG-CD 3.53Å; E775-K890 IonicContact OE1-NZ 2.8Å; E775-K890 PolarHBondContact OE1-NZ 2.94Å; L778-K890 HydrophobicContact CD2-CB 4.37Å; D886-K890 WeakPolarHBondContact O-CD 3.48Å; D886-K890 VanDerWaalsContact O-CG 3.26Å; D886-K890 WeakPolarHBondContact O-CG 3.41Å; D886-K890 PolarHBondContact O-N 3.09Å; L887-K890 PolarHBondContact O-N 3.15Å; Q888-K890 VanDerWaalsContact C-N 3.32Å; Q888-K890 PolarHBondContact O-N 3.42Å; K890-A894 WeakPolarHBondContact O-CB 3.36Å; K890-A894 PolarHBondContact O-N 2.95Å; K890-A894 VanDerWaalsContact O-N 3.13Å
891	L	79	Confident	69.8	Low	6 Å²	6	74 Å²	74	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-69.6	-42.2	167.8	-74	171.4	0	0	0	111.6	M825 V828 R829 L832 L887 Q888 Q889 A894 G895 E896	M825-L891 HydrophobicContact CB-CD2 4.11Å; M825-L891 HydrophobicContact CE-CD2 4.43Å; M825-L891 HydrophobicContact CG-CD2 4.34Å; V828-L891 HydrophobicContact CB-CD2 4.25Å; V828-L891 HydrophobicContact CG1-CD1 4.02Å; V828-L891 HydrophobicContact CG1-CD2 3.86Å; V828-L891 HydrophobicContact CG1-CG 3.72Å; R829-L891 HydrophobicContact CG-CD1 4.02Å; R829-L891 HydrophobicContact CG-CD2 4.09Å; L832-L891 HydrophobicContact CD2-CD1 3.72Å; L887-L891 PolarHBondContact O-N 2.64Å; Q888-L891 PolarHBondContact O-N 2.92Å; Q889-L891 PolarHBondContact O-N 2.87Å; L891-A894 WeakPolarHBondContact O-CA 3.46Å; L891-A894 WeakPolarHBondContact O-CB 3.38Å; L891-A894 PolarHBondContact O-N 3.4Å; L891-A894 VanDerWaalsContact O-N 3.11Å; L891-G895 PolarHBondContact O-N 2.99Å; L891-E896 HydrophobicContact CB-CB 4.33Å; L891-E896 VanDerWaalsContact O-CB 3.25Å; L891-E896 WeakPolarHBondContact O-CB 3.46Å; L891-E896 PolarHBondContact O-N 3.23Å; L891-E896 VanDerWaalsContact O-N 3.08Å
892	M	75.5	Confident	67.8	Low	99 Å²	99	76.6 Å²	76.6	49%	0.488	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-42	175	179.9	166.2	51.9	0	0	111.9	Q888 Q889 A894 G895	Q888-M892 PolarHBondContact O-N 3.21Å; Q889-M892 WeakPolarHBondContact O-CB 3.39Å; Q889-M892 PolarHBondContact O-N 3.49Å; Q889-M892 VanDerWaalsContact OE1-CE 3.28Å; M892-A894 PolarHBondContact O-N 3.33Å; M892-G895 PolarHBondContact O-N 3.46Å
893	D	73.4	Confident	65.8	Low	99 Å²	99	76.9 Å²	76.9	53%	0.529	44%	0.441	S	S	.	.	H	α-helix	trans	-61.1	-31.3	172.3	-67.1	-18.9	0	0	0	112.2	L782 Q889 G895	L782-D893 HydrophobicContact CD1-CB 4.5Å; Q889-D893 PolarHBondContact NE2-OD1 2.82Å; Q889-D893 PolarHBondContact O-N 3.2Å; D893-G895 PolarHBondContact O-N 3.32Å
894	A	72.2	Confident	63.5	Low	9 Å²	9	77.2 Å²	77.2	7%	0.074	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.7	174.7	0	0	0	0	0	114.2	L778 L782 M825 K890 L891 M892	L778-A894 HydrophobicContact CD1-CB 4.28Å; L782-A894 HydrophobicContact CD1-CB 3.89Å; L782-A894 HydrophobicContact CD2-CB 3.83Å; L782-A894 HydrophobicContact CG-CB 4.41Å; M825-A894 HydrophobicContact CE-CB 3.79Å; M825-A894 HydrophobicContact CG-CB 4.01Å; M825-A894 HydrophobicContact SD-CB 3.78Å; K890-A894 WeakPolarHBondContact O-CB 3.36Å; K890-A894 PolarHBondContact O-N 2.95Å; K890-A894 VanDerWaalsContact O-N 3.13Å; L891-A894 WeakPolarHBondContact O-CA 3.46Å; L891-A894 WeakPolarHBondContact O-CB 3.38Å; L891-A894 PolarHBondContact O-N 3.4Å; L891-A894 VanDerWaalsContact O-N 3.11Å; M892-A894 PolarHBondContact O-N 3.33Å
895	G	66.4	Low	61.2	Low	46 Å²	46	82 Å²	82	47%	0.474	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	4.8	178.9	0	0	0	0	0	115	L891 M892 D893 R897	L891-G895 PolarHBondContact O-N 2.99Å; M892-G895 PolarHBondContact O-N 3.46Å; D893-G895 PolarHBondContact O-N 3.32Å; G895-R897 PolarHBondContact O-N 3.03Å
896	E	59.6	Low	59.3	Low	51 Å²	51	84 Å²	84	24%	0.238	50%	0.501	C	S	.	.			trans	-72	91.8	172.6	-172.7	149.8	-117.4	0	0	110.2	M825 R829 L891 S898	M825-E896 HydrophobicContact CE-CB 4.17Å; R829-E896 IonicContact CZ-OE1 3.8Å; R829-E896 IonicContact CZ-OE2 3.73Å; R829-E896 IonicContact NE-OE1 2.74Å; R829-E896 PolarHBondContact NE-OE1 3.5Å; R829-E896 VanDerWaalsContact NE-OE1 3.13Å; R829-E896 IonicContact NE-OE2 3.77Å; R829-E896 PolarHBondContact NE-OE2 3.15Å; R829-E896 IonicContact NH2-OE1 3.02Å; R829-E896 PolarHBondContact NH2-OE1 2.99Å; R829-E896 IonicContact NH2-OE2 2.68Å; L891-E896 HydrophobicContact CB-CB 4.33Å; L891-E896 VanDerWaalsContact O-CB 3.25Å; L891-E896 WeakPolarHBondContact O-CB 3.46Å; L891-E896 PolarHBondContact O-N 3.23Å; L891-E896 VanDerWaalsContact O-N 3.08Å; E896-S898 PolarHBondContact O-N 3.43Å
897	R	51	Low	57.5	Low	223 Å²	223	87 Å²	87	84%	0.842	52%	0.518	S	S	*	.			trans	-62.5	120.8	171.8	-68.3	-173.8	176.9	-157.1	-1.3	108.9	G895 S899	G895-R897 PolarHBondContact O-N 3.03Å; R897-S899 PolarHBondContact O-N 2.92Å
898	S	45.5	Very low	56.1	Low	100 Å²	100	88.9 Å²	88.9	70%	0.699	53%	0.532	S	S	*	.			trans	-56	110.6	174.2	-174.8	0	0	0	0	110.1	E896 T900	E896-S898 PolarHBondContact O-N 3.43Å; S898-T900 PolarHBondContact O-N 3.48Å
899	S	43.1	Very low	54.5	Low	89 Å²	89	87 Å²	87	62%	0.622	53%	0.527	S	S	*	.			trans	-75.4	102.2	176.5	51.8	0	0	0	0	109.4	R897 D901	R897-S899 PolarHBondContact O-N 2.92Å; S899-D901 PolarHBondContact O-N 3.05Å
900	T	38.8	Very low	53.3	Low	124 Å²	124	84.5 Å²	84.5	76%	0.761	52%	0.524	S	S	*	.			trans	-70.3	-13.7	174.6	43.7	0	0	0	0	113.4	S898 A902	S898-T900 PolarHBondContact O-N 3.48Å; T900-A902 PolarHBondContact O-N 3.35Å
901	D	33.8	Very low	52.3	Low	129 Å²	129	89.4 Å²	89.4	69%	0.69	55%	0.548	S	S	*	.			trans	-89.1	84.5	178.4	-57.3	-42.8	0	0	0	110.7	S899 S903	S899-D901 PolarHBondContact O-N 3.05Å; D901-S903 PolarHBondContact O-N 3.12Å
902	A	43.5	Very low	51.5	Low	106 Å²	106	90.7 Å²	90.7	88%	0.876	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	33.5	-176.7	0	0	0	0	0	114.4	T900	T900-A902 PolarHBondContact O-N 3.35Å
903	S	40	Very low	50.9	Low	115 Å²	115	89.6 Å²	89.6	80%	0.804	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	25.1	-171	67.1	0	0	0	0	114.5	D901	D901-S903 PolarHBondContact O-N 3.12Å
904	G	34.3	Very low	50.7	Low	59 Å²	59	88.6 Å²	88.6	61%	0.608	55%	0.551	S	S	*	*	S	Bend	trans	-149	158.6	175.2	0	0	0	0	0	112.8
905	P	36.6	Very low	50.5	Low	113 Å²	113	91.7 Å²	91.7	73%	0.734	57%	0.572	S	S	*	*			trans	-61.7	162.7	170.7	-20.5	33.8	0	0	0	112.7	D907	P905-D907 VanDerWaalsContact C-N 3.29Å; P905-D907 PolarHBondContact O-N 3.34Å
906	P	44.8	Very low	50.7	Low	102 Å²	102	90.4 Å²	90.4	66%	0.662	55%	0.553	S	S	*	*			trans	-77.7	64.2	-169.3	32.2	-37.3	0	0	0	115.1	S908 T909	P906-S908 PolarHBondContact O-N 2.68Å; P906-S908 VanDerWaalsContact O-N 3.15Å; P906-T909 PolarHBondContact O-N 3.11Å; P906-T909 PolarHBondContact O-OG1 3.16Å
907	D	45	Very low	51.3	Low	121 Å²	121	93.1 Å²	93.1	65%	0.647	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-2.5	171.9	-94	-21.3	0	0	0	114.1	P905 T909 G910 Q911	P905-D907 VanDerWaalsContact C-N 3.29Å; P905-D907 PolarHBondContact O-N 3.34Å; D907-T909 PolarHBondContact O-N 3.31Å; D907-G910 WeakPolarHBondContact O-CA 3.37Å; D907-G910 PolarHBondContact O-N 2.69Å; D907-Q911 PolarHBondContact O-N 3.48Å
908	S	51.5	Low	52.4	Low	46 Å²	46	86.6 Å²	86.6	32%	0.322	56%	0.557	S	S	.	*	H	α-helix	trans	-54.1	-36.9	168	60.5	0	0	0	0	111.4	P906 Q911 M912	P906-S908 PolarHBondContact O-N 2.68Å; P906-S908 VanDerWaalsContact O-N 3.15Å; S908-Q911 PolarHBondContact O-N 3.19Å; S908-M912 WeakPolarHBondContact O-CB 3.44Å; S908-M912 PolarHBondContact O-N 3.19Å
909	T	52.1	Low	53.8	Low	55 Å²	55	85.2 Å²	85.2	34%	0.337	54%	0.54	S	S	.	.	H	α-helix	trans	-59.3	-45.6	172.8	-34.3	0	0	0	0	111.2	P906 D907 M912 L913	P906-T909 PolarHBondContact O-N 3.11Å; P906-T909 PolarHBondContact O-OG1 3.16Å; D907-T909 PolarHBondContact O-N 3.31Å; T909-M912 PolarHBondContact O-N 2.91Å; T909-L913 HydrophobicContact CG2-CD1 4.19Å; T909-L913 VanDerWaalsContact O-CB 3.3Å; T909-L913 WeakPolarHBondContact O-CB 3.48Å; T909-L913 WeakPolarHBondContact O-CG 3.34Å; T909-L913 PolarHBondContact O-N 3.41Å
910	G	53.7	Low	55.5	Low	36 Å²	36	82.8 Å²	82.8	37%	0.371	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-43.4	177.9	0	0	0	0	0	112.9	D907 L913 S914	D907-G910 WeakPolarHBondContact O-CA 3.37Å; D907-G910 PolarHBondContact O-N 2.69Å; G910-L913 PolarHBondContact O-N 3.23Å; G910-S914 WeakPolarHBondContact O-CB 3.3Å; G910-S914 PolarHBondContact O-N 2.89Å
911	Q	58.6	Low	57.3	Low	149 Å²	149	83.5 Å²	83.5	70%	0.696	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-44	175.6	-65.9	-172.9	16.4	0	0	112	D907 S908 S914 S915	D907-Q911 PolarHBondContact O-N 3.48Å; S908-Q911 PolarHBondContact O-N 3.19Å; Q911-S914 PolarHBondContact O-N 2.92Å; Q911-S915 PolarHBondContact O-N 3.47Å
912	M	61.1	Low	59.5	Low	33 Å²	33	80.5 Å²	80.5	16%	0.163	50%	0.498	C	S	.	.	H	α-helix	trans	-67.9	-39.8	178.8	-172.6	171	63.2	0	0	111.8	M825 S908 T909 S915 R916	M825-M912 HydrophobicContact CE-CE 4.19Å; M825-M912 HydrophobicContact SD-CE 4.33Å; S908-M912 WeakPolarHBondContact O-CB 3.44Å; S908-M912 PolarHBondContact O-N 3.19Å; T909-M912 PolarHBondContact O-N 2.91Å; M912-S915 PolarHBondContact O-N 2.57Å; M912-R916 WeakPolarHBondContact O-CD 3.44Å; M912-R916 VanDerWaalsContact O-CG 3.25Å; M912-R916 WeakPolarHBondContact O-CG 3.18Å; M912-R916 PolarHBondContact O-N 3.3Å; M912-R916 PolarHBondContact SD-NH2 3.22Å
913	L	64.4	Low	61.3	Low	77 Å²	77	81.7 Å²	81.7	40%	0.403	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-42.6	172.1	-75.1	169.2	0	0	0	111.6	T909 G910 S915 R916 L917	T909-L913 HydrophobicContact CG2-CD1 4.19Å; T909-L913 VanDerWaalsContact O-CB 3.3Å; T909-L913 WeakPolarHBondContact O-CB 3.48Å; T909-L913 WeakPolarHBondContact O-CG 3.34Å; T909-L913 PolarHBondContact O-N 3.41Å; G910-L913 PolarHBondContact O-N 3.23Å; L913-S915 PolarHBondContact O-N 2.66Å; L913-R916 PolarHBondContact O-N 3Å; L913-R916 VanDerWaalsContact O-N 3.16Å; L913-L917 WeakPolarHBondContact O-CB 3.29Å; L913-L917 VanDerWaalsContact O-CG 3.28Å; L913-L917 WeakPolarHBondContact O-CG 3.38Å; L913-L917 PolarHBondContact O-N 3.37Å
914	S	67.7	Low	63.4	Low	77 Å²	77	81 Å²	81	54%	0.538	47%	0.472	S	S	.	.	H	α-helix	trans	-59	-46	175	-170.7	0	0	0	0	111.8	G910 Q911 R916 L917 S918	G910-S914 WeakPolarHBondContact O-CB 3.3Å; G910-S914 PolarHBondContact O-N 2.89Å; Q911-S914 PolarHBondContact O-N 2.92Å; S914-R916 VanDerWaalsContact C-N 3.28Å; S914-R916 PolarHBondContact O-N 3.22Å; S914-L917 PolarHBondContact O-N 3.01Å; S914-S918 PolarHBondContact O-N 3.5Å
915	S	68.1	Low	65.7	Low	75 Å²	75	78.7 Å²	78.7	52%	0.524	45%	0.445	S	S	.	.	H	α-helix	trans	-69	-19.7	176.4	-173.6	0	0	0	0	114.6	Q911 M912 L913 S918 Q919	Q911-S915 PolarHBondContact O-N 3.47Å; M912-S915 PolarHBondContact O-N 2.57Å; L913-S915 PolarHBondContact O-N 2.66Å; S915-S918 PolarHBondContact O-OG 3.29Å; S915-S918 VanDerWaalsContact O-OG 3.13Å; S915-Q919 PolarHBondContact O-NE2 3.41Å
916	R	71.2	Confident	68	Low	18 Å²	18	74.6 Å²	74.6	7%	0.068	42%	0.421	C	S	.	.	H	α-helix	trans	-83.9	-43.1	171.5	-71.9	160.7	177.9	-137.2	12	110.7	W814 D818 M912 L913 S914 S918 Q919	W814-R916 WeakPolarHBondContact CH2-O 3.49Å; D818-R916 PolarHBondContact O-NH1 2.85Å; D818-R916 IonicContact OD1-CZ 3.82Å; D818-R916 IonicContact OD1-NE 3.67Å; D818-R916 IonicContact OD1-NH1 2.7Å; D818-R916 PolarHBondContact OD1-NH1 3.26Å; D818-R916 VanDerWaalsContact OD2-CD 3.32Å; D818-R916 WeakPolarHBondContact OD2-CD 3.39Å; D818-R916 IonicContact OD2-CZ 2.64Å; D818-R916 IonicContact OD2-NE 3.33Å; D818-R916 IonicContact OD2-NH1 2.78Å; D818-R916 PolarHBondContact OD2-NH1 3.29Å; M912-R916 WeakPolarHBondContact O-CD 3.44Å; M912-R916 VanDerWaalsContact O-CG 3.25Å; M912-R916 WeakPolarHBondContact O-CG 3.18Å; M912-R916 PolarHBondContact O-N 3.3Å; M912-R916 PolarHBondContact SD-NH2 3.22Å; L913-R916 PolarHBondContact O-N 3Å; L913-R916 VanDerWaalsContact O-N 3.16Å; S914-R916 VanDerWaalsContact C-N 3.28Å; S914-R916 PolarHBondContact O-N 3.22Å; R916-S918 VanDerWaalsContact C-N 3.33Å; R916-S918 PolarHBondContact O-N 3.29Å; R916-Q919 VanDerWaalsContact O-CB 3.31Å; R916-Q919 WeakPolarHBondContact O-CB 3.27Å; R916-Q919 WeakPolarHBondContact O-CG 3.48Å; R916-Q919 PolarHBondContact O-N 3.24Å; R916-Q919 VanDerWaalsContact O-N 3.12Å
917	L	73.4	Confident	70	Confident	108 Å²	108	78.6 Å²	78.6	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-35.1	176.3	-72.1	169	0	0	0	112.5	L913 S914 Q919 L920	L913-L917 WeakPolarHBondContact O-CB 3.29Å; L913-L917 VanDerWaalsContact O-CG 3.28Å; L913-L917 WeakPolarHBondContact O-CG 3.38Å; L913-L917 PolarHBondContact O-N 3.37Å; S914-L917 PolarHBondContact O-N 3.01Å; L917-Q919 PolarHBondContact O-N 3.45Å; L917-L920 HydrophobicContact CD2-CD1 4.06Å; L917-L920 WeakPolarHBondContact O-CB 3.44Å; L917-L920 PolarHBondContact O-N 3.21Å; L917-L920 VanDerWaalsContact O-N 3.09Å
918	S	73	Confident	72	Confident	87 Å²	87	74.8 Å²	74.8	61%	0.608	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.3	174.6	69.5	0	0	0	0	114.3	S914 S915 R916 L920	S914-S918 PolarHBondContact O-N 3.5Å; S915-S918 PolarHBondContact O-OG 3.29Å; S915-S918 VanDerWaalsContact O-OG 3.13Å; R916-S918 VanDerWaalsContact C-N 3.33Å; R916-S918 PolarHBondContact O-N 3.29Å; S918-L920 VanDerWaalsContact C-N 3.33Å
919	Q	75.3	Confident	73.7	Confident	71 Å²	71	72.8 Å²	72.8	33%	0.332	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.5	173.9	-54.4	-178.5	23.7	0	0	113.5	R792 W814 S915 R916 L917 H921	R792-Q919 PolarHBondContact NH2-O 2.77Å; R792-Q919 VanDerWaalsContact NH2-O 3.12Å; W814-Q919 HydrophobicContact CH2-CB 4.47Å; W814-Q919 HydrophobicContact CZ2-CB 3.99Å; S915-Q919 PolarHBondContact O-NE2 3.41Å; R916-Q919 VanDerWaalsContact O-CB 3.31Å; R916-Q919 WeakPolarHBondContact O-CB 3.27Å; R916-Q919 WeakPolarHBondContact O-CG 3.48Å; R916-Q919 PolarHBondContact O-N 3.24Å; R916-Q919 VanDerWaalsContact O-N 3.12Å; L917-Q919 PolarHBondContact O-N 3.45Å; Q919-H921 PolarHBondContact O-CE1 3.21Å; Q919-H921 PolarHBondContact O-ND1 3.46Å
920	L	78.9	Confident	75.4	Confident	37 Å²	37	74.6 Å²	74.6	19%	0.194	40%	0.396	C	S	.	.			trans	-83	112.4	172.7	-65.9	165.9	0	0	0	109.2	W814 L917 S918 E925 A926 A929	W814-L920 HydrophobicContact CH2-CD2 4.34Å; W814-L920 HydrophobicContact CH2-CG 4.26Å; W814-L920 HydrophobicContact CZ3-CD2 3.75Å; W814-L920 HydrophobicContact CZ3-CG 4.15Å; L917-L920 HydrophobicContact CD2-CD1 4.06Å; L917-L920 WeakPolarHBondContact O-CB 3.44Å; L917-L920 PolarHBondContact O-N 3.21Å; L917-L920 VanDerWaalsContact O-N 3.09Å; S918-L920 VanDerWaalsContact C-N 3.33Å; L920-E925 HydrophobicContact CD2-CB 3.83Å; L920-A926 HydrophobicContact CD1-CB 4.31Å; L920-A929 HydrophobicContact CD2-CB 4.26Å
921	H	76.4	Confident	77.1	Confident	140 Å²	140	81.1 Å²	81.1	65%	0.648	41%	0.414	S	S	*	.			trans	-85.6	-15.6	-169.1	-70.4	37.7	0	0	0	113.2	R792 Q919 E925	R792-H921 PolarHBondContact NH2-CE1 2.97Å; Q919-H921 PolarHBondContact O-CE1 3.21Å; Q919-H921 PolarHBondContact O-ND1 3.46Å; H921-E925 PolarHBondContact N-OE2 3.31Å
922	N	80.2	Confident	78.6	Confident	66 Å²	66	75.6 Å²	75.6	35%	0.353	39%	0.387	S	S	.	.	S	Bend	trans	-155.8	163.9	-179.5	65	75.4	0	0	0	113.1	Q924 E925 A926	N922-Q924 PolarHBondContact O-N 3Å; N922-Q924 WeakPolarHBondContact OD1-CA 3.4Å; N922-Q924 VanDerWaalsContact OD1-CB 3.26Å; N922-Q924 WeakPolarHBondContact OD1-CB 3.47Å; N922-Q924 PolarHBondContact OD1-N 2.93Å; N922-E925 PolarHBondContact O-N 3.15Å; N922-E925 PolarHBondContact OD1-N 2.88Å; N922-A926 PolarHBondContact O-N 3.39Å; N922-A926 VanDerWaalsContact O-N 3.15Å
923	I	81.4	Confident	79.9	Confident	130 Å²	130	77.5 Å²	77.5	67%	0.667	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-19.3	-178.8	-162.8	166.6	0	0	0	114.1	R927	I923-R927 HydrophobicContact CG1-CG 4.48Å; I923-R927 WeakPolarHBondContact O-CB 3.24Å; I923-R927 WeakPolarHBondContact O-CG 3.41Å; I923-R927 PolarHBondContact O-N 2.69Å
924	Q	82.7	Confident	81.2	Confident	102 Å²	102	81.1 Å²	81.1	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-75.9	-43.4	174.6	-52.1	-169.4	27.5	0	0	110.9	N922 R927 I928	N922-Q924 PolarHBondContact O-N 3Å; N922-Q924 WeakPolarHBondContact OD1-CA 3.4Å; N922-Q924 VanDerWaalsContact OD1-CB 3.26Å; N922-Q924 WeakPolarHBondContact OD1-CB 3.47Å; N922-Q924 PolarHBondContact OD1-N 2.93Å; Q924-R927 PolarHBondContact O-N 2.85Å; Q924-I928 WeakPolarHBondContact O-CD1 3.4Å; Q924-I928 VanDerWaalsContact O-CG1 3.24Å; Q924-I928 WeakPolarHBondContact O-CG1 3.32Å; Q924-I928 PolarHBondContact O-N 3.3Å
925	E	83.8	Confident	82.3	Confident	9 Å²	9	86.3 Å²	86.3	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-58.5	-47.9	171.9	-66.3	-174.9	148.7	0	0	110.7	L807 R810 V811 L920 H921 N922 R927 I928 A929	L807-E925 HydrophobicContact CD1-CG 3.93Å; R810-E925 IonicContact CZ-OE1 3.98Å; R810-E925 IonicContact NH1-OE1 3.02Å; R810-E925 IonicContact NH2-OE1 2.69Å; R810-E925 PolarHBondContact NH2-OE1 2.98Å; V811-E925 HydrophobicContact CG2-CB 4.01Å; V811-E925 HydrophobicContact CG2-CG 3.82Å; L920-E925 HydrophobicContact CD2-CB 3.83Å; H921-E925 PolarHBondContact N-OE2 3.31Å; N922-E925 PolarHBondContact O-N 3.15Å; N922-E925 PolarHBondContact OD1-N 2.88Å; E925-R927 PolarHBondContact O-N 3.13Å; E925-I928 PolarHBondContact O-N 2.68Å; E925-I928 VanDerWaalsContact O-N 3.16Å; E925-A929 WeakPolarHBondContact O-CB 3.48Å; E925-A929 PolarHBondContact O-N 3.49Å
926	A	85.1	Confident	83.3	Confident	28 Å²	28	85.9 Å²	85.9	23%	0.231	41%	0.408	C	S	.	.	H	α-helix	trans	-59.1	-44.5	177.5	0	0	0	0	0	112.9	L920 N922 I928 A929 L930	L920-A926 HydrophobicContact CD1-CB 4.31Å; N922-A926 PolarHBondContact O-N 3.39Å; N922-A926 VanDerWaalsContact O-N 3.15Å; A926-I928 VanDerWaalsContact C-N 3.32Å; A926-I928 PolarHBondContact O-N 3.03Å; A926-A929 PolarHBondContact O-N 3.26Å; A926-L930 WeakPolarHBondContact O-CB 3.27Å; A926-L930 WeakPolarHBondContact O-CG 3.4Å; A926-L930 PolarHBondContact O-N 3.3Å
927	R	86.8	Confident	84.2	Confident	186 Å²	186	87.9 Å²	87.9	70%	0.702	43%	0.428	S	S	*	.	H	α-helix	trans	-65.3	-32.3	176.4	-74.9	175.6	72.8	174.7	5.7	113.1	I923 Q924 E925 K931	I923-R927 HydrophobicContact CG1-CG 4.48Å; I923-R927 WeakPolarHBondContact O-CB 3.24Å; I923-R927 WeakPolarHBondContact O-CG 3.41Å; I923-R927 PolarHBondContact O-N 2.69Å; Q924-R927 PolarHBondContact O-N 2.85Å; E925-R927 PolarHBondContact O-N 3.13Å; R927-K931 VanDerWaalsContact O-CB 3.32Å; R927-K931 WeakPolarHBondContact O-CB 3.44Å; R927-K931 PolarHBondContact O-N 3.07Å; R927-K931 VanDerWaalsContact O-N 3.14Å
928	I	87	Confident	85.1	Confident	40 Å²	40	86 Å²	86	21%	0.205	42%	0.424	C	S	.	.	H	α-helix	trans	-73.3	-43.7	175.4	-67	160.4	0	0	0	110.5	A808 V811 R812 Q924 E925 A926 K931 Y932	A808-I928 HydrophobicContact CB-CD1 4Å; A808-I928 HydrophobicContact CB-CG2 4.3Å; V811-I928 HydrophobicContact CB-CG2 3.95Å; V811-I928 HydrophobicContact CG1-CB 4.12Å; V811-I928 HydrophobicContact CG1-CG2 3.81Å; R812-I928 HydrophobicContact CG-CG2 4.41Å; Q924-I928 WeakPolarHBondContact O-CD1 3.4Å; Q924-I928 VanDerWaalsContact O-CG1 3.24Å; Q924-I928 WeakPolarHBondContact O-CG1 3.32Å; Q924-I928 PolarHBondContact O-N 3.3Å; E925-I928 PolarHBondContact O-N 2.68Å; E925-I928 VanDerWaalsContact O-N 3.16Å; A926-I928 VanDerWaalsContact C-N 3.32Å; A926-I928 PolarHBondContact O-N 3.03Å; I928-K931 PolarHBondContact O-N 2.83Å; I928-Y932 WeakPolarHBondContact O-CB 3.48Å; I928-Y932 PolarHBondContact O-N 3.14Å
929	A	87.3	Confident	85.9	Confident	5 Å²	5	85.3 Å²	85.3	4%	0.041	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-51.3	176.4	0	0	0	0	0	111.3	V811 V815 L920 E925 A926 K931 Y932 L933	V811-A929 HydrophobicContact CG1-CB 3.98Å; V815-A929 HydrophobicContact CG2-CB 3.75Å; L920-A929 HydrophobicContact CD2-CB 4.26Å; E925-A929 WeakPolarHBondContact O-CB 3.48Å; E925-A929 PolarHBondContact O-N 3.49Å; A926-A929 PolarHBondContact O-N 3.26Å; A929-K931 PolarHBondContact O-N 3.17Å; A929-Y932 WeakPolarHBondContact O-CB 3.43Å; A929-Y932 PolarHBondContact O-N 3.08Å; A929-Y932 VanDerWaalsContact O-N 3.12Å; A929-L933 WeakPolarHBondContact O-CG 3.4Å; A929-L933 PolarHBondContact O-N 3.48Å
930	L	87.3	Confident	86.7	Confident	93 Å²	93	85.6 Å²	85.6	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-58.3	-47.2	176.3	-72.1	169.1	0	0	0	112	A926 Y932 L933 F934	A926-L930 WeakPolarHBondContact O-CB 3.27Å; A926-L930 WeakPolarHBondContact O-CG 3.4Å; A926-L930 PolarHBondContact O-N 3.3Å; L930-Y932 PolarHBondContact O-N 3.1Å; L930-L933 PolarHBondContact O-N 2.97Å; L930-F934 VanDerWaalsContact O-CD2 3.27Å; L930-F934 WeakPolarHBondContact O-CD2 3.25Å; L930-F934 PolarHBondContact O-N 3.45Å
931	K	89.1	Confident	87.3	Confident	172 Å²	172	88.1 Å²	88.1	75%	0.748	44%	0.44	S	S	*	.	H	α-helix	trans	-63	-28.9	177.9	-175	168.9	-177.5	173.2	0	112.8	R927 I928 A929	R927-K931 VanDerWaalsContact O-CB 3.32Å; R927-K931 WeakPolarHBondContact O-CB 3.44Å; R927-K931 PolarHBondContact O-N 3.07Å; R927-K931 VanDerWaalsContact O-N 3.14Å; I928-K931 PolarHBondContact O-N 2.83Å; A929-K931 PolarHBondContact O-N 3.17Å
932	Y	89.8	Confident	88.1	Confident	34 Å²	34	85.5 Å²	85.5	13%	0.133	43%	0.433	C	S	.	.	H	α-helix	trans	-75.3	-48	173.1	-178.9	-108.4	0	0	0	111.7	R812 V815 K816 I928 A929 L930 F934 R935 Q936	R812-Y932 HydrophobicContact CB-CD2 4.25Å; R812-Y932 HydrophobicContact CB-CE2 4.47Å; R812-Y932 HydrophobicContact CB-CG 4.4Å; R812-Y932 HydrophobicContact CG-CD2 3.79Å; R812-Y932 HydrophobicContact CG-CE2 4.45Å; R812-Y932 HydrophobicContact CG-CG 3.93Å; V815-Y932 HydrophobicContact CB-CD1 3.98Å; V815-Y932 HydrophobicContact CB-CE1 4.33Å; V815-Y932 HydrophobicContact CG1-CD1 3.69Å; V815-Y932 HydrophobicContact CG1-CE1 4.11Å; K816-Y932 HydrophobicContact CB-CE1 4.1Å; K816-Y932 WeakPolarHBondContact CG-OH 3.4Å; I928-Y932 WeakPolarHBondContact O-CB 3.48Å; I928-Y932 PolarHBondContact O-N 3.14Å; A929-Y932 WeakPolarHBondContact O-CB 3.43Å; A929-Y932 PolarHBondContact O-N 3.08Å; A929-Y932 VanDerWaalsContact O-N 3.12Å; L930-Y932 PolarHBondContact O-N 3.1Å; Y932-F934 PolarHBondContact O-N 2.97Å; Y932-R935 PolarHBondContact O-N 2.89Å; Y932-R935 VanDerWaalsContact O-N 3.11Å; Y932-Q936 HydrophobicContact CD1-CG 4.19Å; Y932-Q936 HydrophobicContact CD2-CG 4.42Å; Y932-Q936 HydrophobicContact CE1-CG 3.73Å; Y932-Q936 HydrophobicContact CE2-CG 3.98Å; Y932-Q936 PolarHBondContact O-N 3.08Å; Y932-Q936 PolarHBondContact OH-NE2 3.29Å
933	L	89.8	Confident	88.6	Confident	72 Å²	72	85.3 Å²	85.3	38%	0.377	44%	0.437	S	S	.	.	H	α-helix	trans	-58.6	-47.8	178.4	-72.9	170.6	0	0	0	112.2	V815 A929 L930 R935 Q936 A937	V815-L933 HydrophobicContact CG1-CD1 4.4Å; V815-L933 HydrophobicContact CG1-CD2 3.56Å; V815-L933 HydrophobicContact CG1-CG 3.81Å; A929-L933 WeakPolarHBondContact O-CG 3.4Å; A929-L933 PolarHBondContact O-N 3.48Å; L930-L933 PolarHBondContact O-N 2.97Å; L933-R935 PolarHBondContact O-N 3.31Å; L933-Q936 PolarHBondContact O-N 3.24Å; L933-Q936 VanDerWaalsContact O-N 3.11Å; L933-A937 WeakPolarHBondContact O-CB 3.31Å; L933-A937 PolarHBondContact O-N 2.95Å
934	F	90.9	Very high	89.1	Confident	153 Å²	153	83.4 Å²	83.4	67%	0.671	42%	0.424	S	S	*	.	H	α-helix	trans	-58.1	-36.7	175.4	-83.3	-66.1	0	0	0	112.6	L930 Y932 S938	L930-F934 VanDerWaalsContact O-CD2 3.27Å; L930-F934 WeakPolarHBondContact O-CD2 3.25Å; L930-F934 PolarHBondContact O-N 3.45Å; Y932-F934 PolarHBondContact O-N 2.97Å; F934-S938 WeakPolarHBondContact O-CB 3.28Å; F934-S938 PolarHBondContact O-N 2.95Å; F934-S938 PolarHBondContact O-OG 2.95Å
935	R	91	Very high	89.5	Confident	187 Å²	187	82.5 Å²	82.5	71%	0.706	42%	0.422	S	S	*	.	H	α-helix	trans	-73.4	-34	176.2	-178.1	173.9	176.6	172.1	1.2	112.8	Y932 L933 S938 S939	Y932-R935 PolarHBondContact O-N 2.89Å; Y932-R935 VanDerWaalsContact O-N 3.11Å; L933-R935 PolarHBondContact O-N 3.31Å; R935-S938 PolarHBondContact O-OG 3.31Å; R935-S939 WeakPolarHBondContact O-CB 3.24Å; R935-S939 PolarHBondContact O-N 3.23Å; R935-S939 VanDerWaalsContact O-N 3.1Å
936	Q	89.1	Confident	89.9	Confident	65 Å²	65	86 Å²	86	30%	0.304	44%	0.441	S	S	.	.	H	α-helix	trans	-70.1	-44.9	173.7	-66.6	-52.3	-48.7	0	0	110.7	L819 Y932 L933 S938 S939 S940	L819-Q936 HydrophobicContact CD2-CB 4.48Å; Y932-Q936 HydrophobicContact CD1-CG 4.19Å; Y932-Q936 HydrophobicContact CD2-CG 4.42Å; Y932-Q936 HydrophobicContact CE1-CG 3.73Å; Y932-Q936 HydrophobicContact CE2-CG 3.98Å; Y932-Q936 PolarHBondContact O-N 3.08Å; Y932-Q936 PolarHBondContact OH-NE2 3.29Å; L933-Q936 PolarHBondContact O-N 3.24Å; L933-Q936 VanDerWaalsContact O-N 3.11Å; Q936-S938 PolarHBondContact O-N 2.88Å; Q936-S939 PolarHBondContact O-N 3.37Å; Q936-S940 VanDerWaalsContact O-CB 3.3Å; Q936-S940 WeakPolarHBondContact O-CB 3.47Å; Q936-S940 PolarHBondContact O-N 2.92Å
937	A	89.3	Confident	90.2	Very high	60 Å²	60	89 Å²	89	50%	0.496	45%	0.453	S	S	.	.	H	α-helix	trans	-58.5	-49.6	176.5	0	0	0	0	0	111.9	L933 S939 S940 E941	L933-A937 WeakPolarHBondContact O-CB 3.31Å; L933-A937 PolarHBondContact O-N 2.95Å; A937-S939 VanDerWaalsContact C-N 3.34Å; A937-S939 PolarHBondContact O-N 2.93Å; A937-S940 PolarHBondContact O-N 3.45Å; A937-E941 PolarHBondContact O-N 3Å
938	S	92.6	Very high	90.4	Very high	70 Å²	70	84.8 Å²	84.8	49%	0.49	44%	0.441	S	S	.	.	H	α-helix	trans	-65.7	-35.5	177.7	67.3	0	0	0	0	113.1	F934 R935 Q936 S940 V942	F934-S938 WeakPolarHBondContact O-CB 3.28Å; F934-S938 PolarHBondContact O-N 2.95Å; F934-S938 PolarHBondContact O-OG 2.95Å; R935-S938 PolarHBondContact O-OG 3.31Å; Q936-S938 PolarHBondContact O-N 2.88Å; S938-S940 VanDerWaalsContact C-N 3.34Å; S938-V942 VanDerWaalsContact O-CG2 3.32Å; S938-V942 WeakPolarHBondContact O-CG2 3.43Å; S938-V942 PolarHBondContact O-N 3.46Å
939	S	90.9	Very high	90.6	Very high	72 Å²	72	86.3 Å²	86.3	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-69.6	-32.6	174.5	-166.1	0	0	0	0	112.6	R935 Q936 A937 S943	R935-S939 WeakPolarHBondContact O-CB 3.24Å; R935-S939 PolarHBondContact O-N 3.23Å; R935-S939 VanDerWaalsContact O-N 3.1Å; Q936-S939 PolarHBondContact O-N 3.37Å; A937-S939 VanDerWaalsContact C-N 3.34Å; A937-S939 PolarHBondContact O-N 2.93Å; S939-S943 VanDerWaalsContact O-CB 3.31Å; S939-S943 WeakPolarHBondContact O-CB 3.16Å; S939-S943 PolarHBondContact O-N 2.88Å; S939-S943 VanDerWaalsContact O-N 3.09Å
940	S	90.5	Very high	90.8	Very high	76 Å²	76	91.2 Å²	91.2	53%	0.531	47%	0.474	S	S	.	.	H	α-helix	trans	-71.6	-44.9	177.6	-167.7	0	0	0	0	111	Q936 A937 S938 S943 K944	Q936-S940 VanDerWaalsContact O-CB 3.3Å; Q936-S940 WeakPolarHBondContact O-CB 3.47Å; Q936-S940 PolarHBondContact O-N 2.92Å; A937-S940 PolarHBondContact O-N 3.45Å; S938-S940 VanDerWaalsContact C-N 3.34Å; S940-S943 CarbonylContact O-C 3.6Å; S940-S943 PolarHBondContact O-N 2.87Å; S940-K944 WeakPolarHBondContact O-CB 3.13Å; S940-K944 PolarHBondContact O-N 3.48Å
941	E	92.2	Very high	91	Very high	90 Å²	90	91.1 Å²	91.1	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-40.2	-179.4	-159	63.1	-160.9	0	0	111.6	A937 S943 K944 I945	A937-E941 PolarHBondContact O-N 3Å; E941-S943 VanDerWaalsContact C-N 3.33Å; E941-S943 PolarHBondContact O-N 2.87Å; E941-K944 WeakPolarHBondContact O-CB 3.23Å; E941-K944 PolarHBondContact O-N 3.12Å; E941-K944 IonicContact OE1-NZ 2.62Å; E941-K944 PolarHBondContact OE1-NZ 3.4Å; E941-K944 IonicContact OE2-NZ 3.79Å; E941-I945 HydrophobicContact CG-CD1 4.41Å; E941-I945 VanDerWaalsContact O-CG1 3.32Å; E941-I945 WeakPolarHBondContact O-CG1 3.28Å; E941-I945 PolarHBondContact O-N 3.48Å
942	V	92.2	Very high	91.1	Very high	85 Å²	85	91 Å²	91	52%	0.515	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-40.2	171.4	171.5	0	0	0	0	111.5	S938 K944 N946	S938-V942 VanDerWaalsContact O-CG2 3.32Å; S938-V942 WeakPolarHBondContact O-CG2 3.43Å; S938-V942 PolarHBondContact O-N 3.46Å; V942-K944 VanDerWaalsContact C-N 3.34Å; V942-N946 WeakPolarHBondContact O-CB 3.44Å; V942-N946 PolarHBondContact O-N 3.31Å; V942-N946 VanDerWaalsContact O-N 3.09Å; V942-N946 PolarHBondContact O-ND2 3.35Å
943	S	91.8	Very high	91.1	Very high	63 Å²	63	94.9 Å²	94.9	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-32.2	176.5	-168.4	0	0	0	0	112.9	S939 S940 E941 L947	S939-S943 VanDerWaalsContact O-CB 3.31Å; S939-S943 WeakPolarHBondContact O-CB 3.16Å; S939-S943 PolarHBondContact O-N 2.88Å; S939-S943 VanDerWaalsContact O-N 3.09Å; S940-S943 CarbonylContact O-C 3.6Å; S940-S943 PolarHBondContact O-N 2.87Å; E941-S943 VanDerWaalsContact C-N 3.33Å; E941-S943 PolarHBondContact O-N 2.87Å; S943-L947 WeakPolarHBondContact O-CD1 3.32Å; S943-L947 VanDerWaalsContact O-CG 3.3Å; S943-L947 WeakPolarHBondContact O-CG 3.46Å; S943-L947 PolarHBondContact O-N 3.03Å
944	K	91.7	Very high	91.1	Very high	89 Å²	89	96.5 Å²	96.5	39%	0.387	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-52	174.5	173.8	-166.9	146.6	-157.3	0	110.2	S940 E941 V942 N946 L947 E948	S940-K944 WeakPolarHBondContact O-CB 3.13Å; S940-K944 PolarHBondContact O-N 3.48Å; E941-K944 WeakPolarHBondContact O-CB 3.23Å; E941-K944 PolarHBondContact O-N 3.12Å; E941-K944 IonicContact OE1-NZ 2.62Å; E941-K944 PolarHBondContact OE1-NZ 3.4Å; E941-K944 IonicContact OE2-NZ 3.79Å; V942-K944 VanDerWaalsContact C-N 3.34Å; K944-N946 VanDerWaalsContact C-N 3.28Å; K944-N946 PolarHBondContact O-N 2.93Å; K944-L947 CarbonylContact O-C 3.59Å; K944-L947 WeakPolarHBondContact O-CA 3.03Å; K944-L947 WeakPolarHBondContact O-CB 3.22Å; K944-L947 PolarHBondContact O-N 3.48Å; K944-E948 VanDerWaalsContact CE-CD 3.44Å; K944-E948 WeakPolarHBondContact CE-OE1 3.4Å; K944-E948 WeakPolarHBondContact CE-OE2 3.22Å; K944-E948 HydrophobicContact CG-CG 4.36Å; K944-E948 IonicContact NZ-OE1 3.17Å; K944-E948 WeakPolarHBondContact O-CG 3.46Å; K944-E948 PolarHBondContact O-N 3.48Å
945	I	91.6	Very high	91.1	Very high	83 Å²	83	94.4 Å²	94.4	43%	0.426	49%	0.489	S	S	.	.	H	α-helix	trans	-55.9	-44.2	178	-68.1	163.5	0	0	0	110.8	E941 L947 E948 T949	E941-I945 HydrophobicContact CG-CD1 4.41Å; E941-I945 VanDerWaalsContact O-CG1 3.32Å; E941-I945 WeakPolarHBondContact O-CG1 3.28Å; E941-I945 PolarHBondContact O-N 3.48Å; I945-L947 VanDerWaalsContact C-N 3.28Å; I945-L947 PolarHBondContact O-N 2.88Å; I945-E948 PolarHBondContact O-N 2.72Å; I945-T949 PolarHBondContact O-N 3.43Å; I945-T949 PolarHBondContact O-OG1 3.27Å
946	N	91	Very high	91.1	Very high	84 Å²	84	89 Å²	89	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-28.2	176.7	-70.8	-13.4	0	0	0	113.9	V942 K944 T949 Q950	V942-N946 WeakPolarHBondContact O-CB 3.44Å; V942-N946 PolarHBondContact O-N 3.31Å; V942-N946 VanDerWaalsContact O-N 3.09Å; V942-N946 PolarHBondContact O-ND2 3.35Å; K944-N946 VanDerWaalsContact C-N 3.28Å; K944-N946 PolarHBondContact O-N 2.93Å; N946-T949 PolarHBondContact O-OG1 3.37Å; N946-T949 VanDerWaalsContact O-OG1 3.12Å; N946-Q950 VanDerWaalsContact O-CG 3.26Å; N946-Q950 WeakPolarHBondContact O-CG 3.38Å; N946-Q950 PolarHBondContact O-N 3.23Å
947	L	92.1	Very high	91	Very high	91 Å²	91	91.6 Å²	91.6	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-81.8	-36.6	174.8	-73.6	167.6	0	0	0	111.3	S943 K944 I945 Q950 I951	S943-L947 WeakPolarHBondContact O-CD1 3.32Å; S943-L947 VanDerWaalsContact O-CG 3.3Å; S943-L947 WeakPolarHBondContact O-CG 3.46Å; S943-L947 PolarHBondContact O-N 3.03Å; K944-L947 CarbonylContact O-C 3.59Å; K944-L947 WeakPolarHBondContact O-CA 3.03Å; K944-L947 WeakPolarHBondContact O-CB 3.22Å; K944-L947 PolarHBondContact O-N 3.48Å; I945-L947 VanDerWaalsContact C-N 3.28Å; I945-L947 PolarHBondContact O-N 2.88Å; L947-Q950 PolarHBondContact O-N 3Å; L947-I951 WeakPolarHBondContact O-CB 3.25Å; L947-I951 VanDerWaalsContact O-CG1 3.26Å; L947-I951 WeakPolarHBondContact O-CG1 3.43Å; L947-I951 PolarHBondContact O-N 3.34Å
948	E	91.4	Very high	91.1	Very high	97 Å²	97	93.3 Å²	93.3	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-40.3	174.7	-71.6	170	156	0	0	111.2	K944 I945 I951 Y952	K944-E948 VanDerWaalsContact CE-CD 3.44Å; K944-E948 WeakPolarHBondContact CE-OE1 3.4Å; K944-E948 WeakPolarHBondContact CE-OE2 3.22Å; K944-E948 HydrophobicContact CG-CG 4.36Å; K944-E948 IonicContact NZ-OE1 3.17Å; K944-E948 WeakPolarHBondContact O-CG 3.46Å; K944-E948 PolarHBondContact O-N 3.48Å; I945-E948 PolarHBondContact O-N 2.72Å; E948-I951 PolarHBondContact O-N 3.09Å; E948-Y952 PolarHBondContact O-N 2.83Å
949	T	91.8	Very high	91	Very high	72 Å²	72	94 Å²	94	44%	0.442	49%	0.491	S	S	.	.	H	α-helix	trans	-66.8	-40.4	172.8	56	0	0	0	0	112.7	I945 N946 Y952 E953	I945-T949 PolarHBondContact O-N 3.43Å; I945-T949 PolarHBondContact O-OG1 3.27Å; N946-T949 PolarHBondContact O-OG1 3.37Å; N946-T949 VanDerWaalsContact O-OG1 3.12Å; T949-Y952 PolarHBondContact O-N 3.27Å; T949-E953 WeakPolarHBondContact O-CG 3.32Å; T949-E953 PolarHBondContact O-N 2.89Å
950	Q	90.8	Very high	90.9	Very high	108 Å²	108	93.3 Å²	93.3	51%	0.505	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-37.2	175.6	-75.1	173.5	11	0	0	112.6	N946 L947 E953 L954	N946-Q950 VanDerWaalsContact O-CG 3.26Å; N946-Q950 WeakPolarHBondContact O-CG 3.38Å; N946-Q950 PolarHBondContact O-N 3.23Å; L947-Q950 PolarHBondContact O-N 3Å; Q950-E953 PolarHBondContact O-N 2.77Å; Q950-L954 WeakPolarHBondContact O-CB 3.15Å; Q950-L954 VanDerWaalsContact O-CG 3.28Å; Q950-L954 WeakPolarHBondContact O-CG 3.39Å; Q950-L954 PolarHBondContact O-N 3.5Å
951	I	90.2	Very high	90.7	Very high	91 Å²	91	94.5 Å²	94.5	47%	0.467	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-46.4	173.7	-71.6	163.7	0	0	0	109.9	L947 E948 E953 L954 E955	L947-I951 WeakPolarHBondContact O-CB 3.25Å; L947-I951 VanDerWaalsContact O-CG1 3.26Å; L947-I951 WeakPolarHBondContact O-CG1 3.43Å; L947-I951 PolarHBondContact O-N 3.34Å; E948-I951 PolarHBondContact O-N 3.09Å; I951-E953 PolarHBondContact O-N 3.38Å; I951-L954 PolarHBondContact O-N 3.02Å; I951-L954 VanDerWaalsContact O-N 3.17Å; I951-E955 HydrophobicContact CG2-CG 4.3Å; I951-E955 WeakPolarHBondContact O-CG 3.43Å; I951-E955 PolarHBondContact O-N 3.08Å
952	Y	91.7	Very high	90.5	Very high	169 Å²	169	95.5 Å²	95.5	66%	0.663	49%	0.486	S	S	*	.	H	α-helix	trans	-61.3	-40.4	177.7	-176.2	-100	0	0	0	113	E948 T949 E955 S956	E948-Y952 PolarHBondContact O-N 2.83Å; T949-Y952 PolarHBondContact O-N 3.27Å; Y952-E955 PolarHBondContact O-N 3.25Å; Y952-S956 WeakPolarHBondContact O-CB 3.21Å; Y952-S956 PolarHBondContact O-N 2.86Å
953	E	89.6	Confident	90.3	Very high	115 Å²	115	97.4 Å²	97.4	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-43.7	172.9	-74.6	176.2	-179.5	0	0	112.1	T949 Q950 I951 S956 Q957	T949-E953 WeakPolarHBondContact O-CG 3.32Å; T949-E953 PolarHBondContact O-N 2.89Å; Q950-E953 PolarHBondContact O-N 2.77Å; I951-E953 PolarHBondContact O-N 3.38Å; E953-S956 WeakPolarHBondContact O-CB 3.41Å; E953-S956 PolarHBondContact O-N 2.85Å; E953-Q957 WeakPolarHBondContact O-CG 3.45Å; E953-Q957 PolarHBondContact O-N 3.48Å
954	L	90.5	Very high	90.1	Very high	106 Å²	106	99.3 Å²	99.3	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-69.4	-36.5	178.1	-71.1	168.8	0	0	0	112.7	Q950 I951 Q957 L958	Q950-L954 WeakPolarHBondContact O-CB 3.15Å; Q950-L954 VanDerWaalsContact O-CG 3.28Å; Q950-L954 WeakPolarHBondContact O-CG 3.39Å; Q950-L954 PolarHBondContact O-N 3.5Å; I951-L954 PolarHBondContact O-N 3.02Å; I951-L954 VanDerWaalsContact O-N 3.17Å; L954-Q957 PolarHBondContact O-N 2.86Å; L954-L958 VanDerWaalsContact O-CB 3.25Å; L954-L958 WeakPolarHBondContact O-CB 3.21Å; L954-L958 PolarHBondContact O-N 3Å
955	E	91.3	Very high	89.7	Confident	109 Å²	109	99 Å²	99	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-66.7	-38.2	174.3	-74.3	-176.6	158.8	0	0	111.8	I951 Y952 L958 N959	I951-E955 HydrophobicContact CG2-CG 4.3Å; I951-E955 WeakPolarHBondContact O-CG 3.43Å; I951-E955 PolarHBondContact O-N 3.08Å; Y952-E955 PolarHBondContact O-N 3.25Å; E955-L958 PolarHBondContact O-N 3.35Å; E955-N959 WeakPolarHBondContact O-CB 3.3Å; E955-N959 VanDerWaalsContact O-CG 3.25Å; E955-N959 PolarHBondContact O-N 3.29Å; E955-N959 PolarHBondContact O-ND2 3.42Å
956	S	90.2	Very high	89.5	Confident	74 Å²	74	101.7 Å²	101.7	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-48	172.7	-174.8	0	0	0	0	111.8	Y952 E953 L958 N959 S960	Y952-S956 WeakPolarHBondContact O-CB 3.21Å; Y952-S956 PolarHBondContact O-N 2.86Å; E953-S956 WeakPolarHBondContact O-CB 3.41Å; E953-S956 PolarHBondContact O-N 2.85Å; S956-L958 PolarHBondContact O-N 3.4Å; S956-N959 PolarHBondContact O-N 3.07Å; S956-S960 PolarHBondContact O-N 3.1Å
957	Q	88.4	Confident	89.2	Confident	119 Å²	119	102.5 Å²	102.5	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-60.1	-45.5	174.5	-70.4	173.9	27.6	0	0	111.9	E953 L954 N959 S960 E961	E953-Q957 WeakPolarHBondContact O-CG 3.45Å; E953-Q957 PolarHBondContact O-N 3.48Å; L954-Q957 PolarHBondContact O-N 2.86Å; Q957-N959 VanDerWaalsContact C-N 3.3Å; Q957-N959 PolarHBondContact O-N 3.1Å; Q957-S960 WeakPolarHBondContact O-CB 3.38Å; Q957-S960 PolarHBondContact O-N 3.43Å; Q957-E961 PolarHBondContact O-N 3.5Å
958	L	90.5	Very high	88.8	Confident	96 Å²	96	103.5 Å²	103.5	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-37.4	178.1	177.3	62	0	0	0	112.3	L954 E955 S956 K962	L954-L958 VanDerWaalsContact O-CB 3.25Å; L954-L958 WeakPolarHBondContact O-CB 3.21Å; L954-L958 PolarHBondContact O-N 3Å; E955-L958 PolarHBondContact O-N 3.35Å; S956-L958 PolarHBondContact O-N 3.4Å; L958-K962 WeakPolarHBondContact O-CG 3.44Å; L958-K962 PolarHBondContact O-N 3.14Å
959	N	89.8	Confident	88.5	Confident	86 Å²	86	104.5 Å²	104.5	46%	0.46	52%	0.523	S	S	.	.	H	α-helix	trans	-72.5	-35.2	176.7	-70.6	-23.7	0	0	0	112.5	E955 S956 Q957 K962 Q963	E955-N959 WeakPolarHBondContact O-CB 3.3Å; E955-N959 VanDerWaalsContact O-CG 3.25Å; E955-N959 PolarHBondContact O-N 3.29Å; E955-N959 PolarHBondContact O-ND2 3.42Å; S956-N959 PolarHBondContact O-N 3.07Å; Q957-N959 VanDerWaalsContact C-N 3.3Å; Q957-N959 PolarHBondContact O-N 3.1Å; N959-K962 PolarHBondContact O-N 3.31Å; N959-K962 PolarHBondContact OD1-NZ 2.62Å; N959-Q963 PolarHBondContact O-N 3.39Å; N959-Q963 VanDerWaalsContact O-N 3.15Å
960	S	88.7	Confident	88	Confident	57 Å²	57	105.9 Å²	105.9	40%	0.399	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-45.7	171	-173.8	0	0	0	0	112	S956 Q957 Q963 K964	S956-S960 PolarHBondContact O-N 3.1Å; Q957-S960 WeakPolarHBondContact O-CB 3.38Å; Q957-S960 PolarHBondContact O-N 3.43Å; S960-Q963 PolarHBondContact O-N 2.05Å; S960-K964 PolarHBondContact O-N 3.42Å
961	E	87.1	Confident	87.6	Confident	100 Å²	100	103.8 Å²	103.8	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-67.6	-38.1	176.9	-66	-52.3	134.4	0	0	113.1	Q957 Q963 K964 V965	Q957-E961 PolarHBondContact O-N 3.5Å; E961-Q963 VanDerWaalsContact C-N 3.3Å; E961-Q963 PolarHBondContact O-N 2.94Å; E961-K964 PolarHBondContact O-N 3.23Å; E961-K964 IonicContact OE1-NZ 3.11Å; E961-K964 PolarHBondContact OE1-NZ 3.3Å; E961-K964 WeakPolarHBondContact OE2-CD 3.25Å; E961-K964 IonicContact OE2-NZ 3.6Å; E961-V965 WeakPolarHBondContact O-CG2 3.32Å; E961-V965 PolarHBondContact O-N 2.87Å
962	K	88.4	Confident	87.2	Confident	111 Å²	111	103.8 Å²	103.8	48%	0.483	52%	0.524	S	S	.	.	H	α-helix	trans	-55.2	-45.8	172.3	-74.9	170.1	-166.6	157.1	0	111.5	L958 N959 K964 V965 E966	L958-K962 WeakPolarHBondContact O-CG 3.44Å; L958-K962 PolarHBondContact O-N 3.14Å; N959-K962 PolarHBondContact O-N 3.31Å; N959-K962 PolarHBondContact OD1-NZ 2.62Å; K962-K964 VanDerWaalsContact C-N 3.32Å; K962-K964 PolarHBondContact O-N 3.11Å; K962-V965 PolarHBondContact O-N 2.75Å; K962-E966 PolarHBondContact O-N 3.06Å
963	Q	87.7	Confident	86.7	Confident	126 Å²	126	101.3 Å²	101.3	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-65.8	-34.6	-178.4	-164.4	176.7	18.8	0	0	112.2	N959 S960 E961 E966 N967	N959-Q963 PolarHBondContact O-N 3.39Å; N959-Q963 VanDerWaalsContact O-N 3.15Å; S960-Q963 PolarHBondContact O-N 2.05Å; E961-Q963 VanDerWaalsContact C-N 3.3Å; E961-Q963 PolarHBondContact O-N 2.94Å; Q963-E966 PolarHBondContact O-N 3.19Å; Q963-N967 PolarHBondContact O-N 3.23Å; Q963-N967 VanDerWaalsContact O-N 3.1Å; Q963-N967 PolarHBondContact O-ND2 3.07Å; Q963-N967 VanDerWaalsContact O-ND2 3.16Å
964	K	86.7	Confident	86.4	Confident	103 Å²	103	100.4 Å²	100.4	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-43.8	171.8	-66.1	172.3	-171.9	174	0	112	S960 E961 K962 N967 L968	S960-K964 PolarHBondContact O-N 3.42Å; E961-K964 PolarHBondContact O-N 3.23Å; E961-K964 IonicContact OE1-NZ 3.11Å; E961-K964 PolarHBondContact OE1-NZ 3.3Å; E961-K964 WeakPolarHBondContact OE2-CD 3.25Å; E961-K964 IonicContact OE2-NZ 3.6Å; K962-K964 VanDerWaalsContact C-N 3.32Å; K962-K964 PolarHBondContact O-N 3.11Å; K964-N967 PolarHBondContact O-N 3.37Å; K964-L968 WeakPolarHBondContact O-CG 3.43Å; K964-L968 PolarHBondContact O-N 3.1Å; K964-L968 VanDerWaalsContact O-N 3.11Å
965	V	84.4	Confident	86	Confident	82 Å²	82	103.1 Å²	103.1	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-41.2	177	173.1	0	0	0	0	111.3	E961 K962 L968 L969	E961-V965 WeakPolarHBondContact O-CG2 3.32Å; E961-V965 PolarHBondContact O-N 2.87Å; K962-V965 PolarHBondContact O-N 2.75Å; V965-L968 PolarHBondContact O-N 3.41Å; V965-L969 HydrophobicContact CG1-CD1 4.29Å; V965-L969 WeakPolarHBondContact O-CG 3.38Å; V965-L969 PolarHBondContact O-N 3.17Å
966	E	86.9	Confident	85.5	Confident	139 Å²	139	101.1 Å²	101.1	65%	0.65	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-41.9	177.9	-167.6	160.8	-140.4	0	0	112.2	K962 Q963 L968 L969 Q970	K962-E966 PolarHBondContact O-N 3.06Å; Q963-E966 PolarHBondContact O-N 3.19Å; E966-L968 PolarHBondContact O-N 3.05Å; E966-L969 PolarHBondContact O-N 3.19Å; E966-Q970 PolarHBondContact O-N 3.43Å; E966-Q970 VanDerWaalsContact O-N 3.1Å
967	N	85.7	Confident	85.2	Confident	101 Å²	101	101 Å²	101	54%	0.54	52%	0.515	S	S	.	.	H	α-helix	trans	-59.9	-41.2	172.1	-72.7	-34.1	0	0	0	112.7	Q963 K964 Q970 T971	Q963-N967 PolarHBondContact O-N 3.23Å; Q963-N967 VanDerWaalsContact O-N 3.1Å; Q963-N967 PolarHBondContact O-ND2 3.07Å; Q963-N967 VanDerWaalsContact O-ND2 3.16Å; K964-N967 PolarHBondContact O-N 3.37Å; N967-Q970 PolarHBondContact O-N 3.26Å; N967-T971 PolarHBondContact O-N 2.92Å; N967-T971 VanDerWaalsContact O-N 3.14Å
968	L	83.1	Confident	84.8	Confident	113 Å²	113	101.3 Å²	101.3	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-69.4	-33.1	178.1	-71.8	169.9	0	0	0	113.2	K964 V965 E966 T971 T972	K964-L968 WeakPolarHBondContact O-CG 3.43Å; K964-L968 PolarHBondContact O-N 3.1Å; K964-L968 VanDerWaalsContact O-N 3.11Å; V965-L968 PolarHBondContact O-N 3.41Å; E966-L968 PolarHBondContact O-N 3.05Å; L968-T971 PolarHBondContact O-OG1 2.07Å; L968-T972 WeakPolarHBondContact O-CB 3.2Å; L968-T972 PolarHBondContact O-N 2.91Å; L968-T972 VanDerWaalsContact O-N 3.15Å; L968-T972 PolarHBondContact O-OG1 3.41Å
969	L	84.2	Confident	84.3	Confident	117 Å²	117	102.1 Å²	102.1	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-63.9	-43.4	171.1	-71.7	170	0	0	0	110.6	V965 E966 T971 T972 E973	V965-L969 HydrophobicContact CG1-CD1 4.29Å; V965-L969 WeakPolarHBondContact O-CG 3.38Å; V965-L969 PolarHBondContact O-N 3.17Å; E966-L969 PolarHBondContact O-N 3.19Å; L969-T971 PolarHBondContact O-N 3.43Å; L969-T972 WeakPolarHBondContact O-CB 3.43Å; L969-T972 PolarHBondContact O-N 3.12Å; L969-E973 PolarHBondContact O-N 2.82Å
970	Q	82.3	Confident	83.9	Confident	101 Å²	101	102.9 Å²	102.9	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-35.7	-179.3	-165.3	62.9	85	0	0	113.2	E966 N967 E973 N974	E966-Q970 PolarHBondContact O-N 3.43Å; E966-Q970 VanDerWaalsContact O-N 3.1Å; N967-Q970 PolarHBondContact O-N 3.26Å; Q970-E973 PolarHBondContact NE2-OE2 3.43Å; Q970-N974 PolarHBondContact O-N 3.19Å; Q970-N974 PolarHBondContact O-ND2 2.85Å
971	T	82.3	Confident	83.6	Confident	65 Å²	65	105.9 Å²	105.9	40%	0.399	53%	0.53	S	S	.	.	H	α-helix	trans	-68.9	-36.6	173.2	57.1	0	0	0	0	112	N967 L968 L969 N974 Y975	N967-T971 PolarHBondContact O-N 2.92Å; N967-T971 VanDerWaalsContact O-N 3.14Å; L968-T971 PolarHBondContact O-OG1 2.07Å; L969-T971 PolarHBondContact O-N 3.43Å; T971-N974 PolarHBondContact O-N 2.98Å; T971-Y975 WeakPolarHBondContact O-CD2 3.44Å; T971-Y975 PolarHBondContact O-N 3.39Å
972	T	80.9	Confident	83.1	Confident	90 Å²	90	104.2 Å²	104.2	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-39.3	176.5	-55.5	0	0	0	0	112	L968 L969 N974 Y975 S976	L968-T972 WeakPolarHBondContact O-CB 3.2Å; L968-T972 PolarHBondContact O-N 2.91Å; L968-T972 VanDerWaalsContact O-N 3.15Å; L968-T972 PolarHBondContact O-OG1 3.41Å; L969-T972 WeakPolarHBondContact O-CB 3.43Å; L969-T972 PolarHBondContact O-N 3.12Å; T972-N974 PolarHBondContact O-N 3.46Å; T972-Y975 PolarHBondContact O-N 3.15Å; T972-S976 PolarHBondContact O-N 3Å
973	E	82.4	Confident	82.6	Confident	118 Å²	118	102.5 Å²	102.5	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-63.2	-40.2	174.9	-170.9	173.7	-142	0	0	111.9	L969 Q970 S976 V977	L969-E973 PolarHBondContact O-N 2.82Å; Q970-E973 PolarHBondContact NE2-OE2 3.43Å; E973-S976 WeakPolarHBondContact O-CB 3.41Å; E973-S976 PolarHBondContact O-N 3.38Å; E973-V977 PolarHBondContact O-N 2.97Å
974	N	82.9	Confident	82.3	Confident	96 Å²	96	103.2 Å²	103.2	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-61.1	-46.5	177.1	-69.8	-26.1	0	0	0	112.1	Q970 T971 T972 S976 V977 E978	Q970-N974 PolarHBondContact O-N 3.19Å; Q970-N974 PolarHBondContact O-ND2 2.85Å; T971-N974 PolarHBondContact O-N 2.98Å; T972-N974 PolarHBondContact O-N 3.46Å; N974-S976 VanDerWaalsContact C-N 3.28Å; N974-S976 PolarHBondContact O-N 3.42Å; N974-V977 PolarHBondContact O-N 3.25Å; N974-V977 VanDerWaalsContact O-N 3.16Å; N974-E978 PolarHBondContact O-N 3.46Å
975	Y	82.6	Confident	82	Confident	163 Å²	163	103.5 Å²	103.5	64%	0.639	53%	0.533	S	S	*	.	H	α-helix	trans	-61.1	-35.5	176.7	-74.4	-61.4	0	0	0	112.9	T971 T972 V977 E978 L979	T971-Y975 WeakPolarHBondContact O-CD2 3.44Å; T971-Y975 PolarHBondContact O-N 3.39Å; T972-Y975 PolarHBondContact O-N 3.15Å; Y975-V977 VanDerWaalsContact C-N 3.33Å; Y975-V977 PolarHBondContact O-N 2.88Å; Y975-E978 PolarHBondContact O-N 3.38Å; Y975-L979 PolarHBondContact O-N 3.47Å
976	S	79.8	Confident	81.5	Confident	66 Å²	66	104.5 Å²	104.5	46%	0.462	53%	0.534	S	S	.	.	H	α-helix	trans	-61.1	-40.2	175.2	-171.2	0	0	0	0	112.2	T972 E973 N974 L979 L980	T972-S976 PolarHBondContact O-N 3Å; E973-S976 WeakPolarHBondContact O-CB 3.41Å; E973-S976 PolarHBondContact O-N 3.38Å; N974-S976 VanDerWaalsContact C-N 3.28Å; N974-S976 PolarHBondContact O-N 3.42Å; S976-L979 PolarHBondContact O-N 2.97Å; S976-L980 WeakPolarHBondContact O-CG 2.98Å; S976-L980 PolarHBondContact O-N 2.94Å
977	V	83.6	Confident	81.2	Confident	72 Å²	72	103.1 Å²	103.1	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-69.8	-32.2	177.9	177	0	0	0	0	112.3	E973 N974 Y975 K981	E973-V977 PolarHBondContact O-N 2.97Å; N974-V977 PolarHBondContact O-N 3.25Å; N974-V977 VanDerWaalsContact O-N 3.16Å; Y975-V977 VanDerWaalsContact C-N 3.33Å; Y975-V977 PolarHBondContact O-N 2.88Å; V977-K981 WeakPolarHBondContact O-CG 3.47Å
978	E	81.1	Confident	81.2	Confident	126 Å²	126	102.1 Å²	102.1	59%	0.589	52%	0.52	S	S	*	.	H	α-helix	trans	-72.1	-40.2	174	-64.2	-160.8	142.2	0	0	112.4	N974 Y975 L980 K981 S982	N974-E978 PolarHBondContact O-N 3.46Å; Y975-E978 PolarHBondContact O-N 3.38Å; E978-L980 PolarHBondContact O-N 3.33Å; E978-K981 PolarHBondContact O-N 3.03Å; E978-S982 PolarHBondContact O-N 2.97Å; E978-S982 VanDerWaalsContact O-N 3.14Å
979	L	79.5	Confident	81.1	Confident	112 Å²	112	101.4 Å²	101.4	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-59.2	-45.5	177.3	-170.3	69.4	0	0	0	111.7	Y975 S976 K981 S982 E983	Y975-L979 PolarHBondContact O-N 3.47Å; S976-L979 PolarHBondContact O-N 2.97Å; L979-K981 VanDerWaalsContact C-N 3.33Å; L979-K981 PolarHBondContact O-N 3.13Å; L979-S982 WeakPolarHBondContact O-CA 3.19Å; L979-S982 VanDerWaalsContact O-CB 3.27Å; L979-S982 WeakPolarHBondContact O-CB 3.26Å; L979-S982 PolarHBondContact O-N 3Å; L979-E983 PolarHBondContact O-N 3.34Å
980	L	80.9	Confident	81	Confident	102 Å²	102	102.1 Å²	102.1	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-60.7	-37.9	178.6	-72.3	169.3	0	0	0	113.1	S976 E978 S982 E983 E984	S976-L980 WeakPolarHBondContact O-CG 2.98Å; S976-L980 PolarHBondContact O-N 2.94Å; E978-L980 PolarHBondContact O-N 3.33Å; L980-S982 VanDerWaalsContact C-N 3.33Å; L980-E983 PolarHBondContact O-N 3.21Å; L980-E984 PolarHBondContact O-N 3.11Å; L980-E984 VanDerWaalsContact O-N 3.13Å
981	K	84	Confident	81.1	Confident	121 Å²	121	101 Å²	101	53%	0.526	52%	0.519	S	S	.	.	H	α-helix	trans	-66.3	-35.6	174	-67.6	168.7	-175.4	167.8	0	111.8	V977 E978 L979 E984 N985	V977-K981 WeakPolarHBondContact O-CG 3.47Å; E978-K981 PolarHBondContact O-N 3.03Å; L979-K981 VanDerWaalsContact C-N 3.33Å; L979-K981 PolarHBondContact O-N 3.13Å; K981-E984 PolarHBondContact O-N 3.45Å; K981-N985 PolarHBondContact O-N 3.24Å; K981-N985 PolarHBondContact O-ND2 3.2Å
982	S	75	Confident	81.2	Confident	65 Å²	65	105.8 Å²	105.8	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-43.4	175	-162	0	0	0	0	111.3	E978 L979 L980 E984 N985 M986	E978-S982 PolarHBondContact O-N 2.97Å; E978-S982 VanDerWaalsContact O-N 3.14Å; L979-S982 WeakPolarHBondContact O-CA 3.19Å; L979-S982 VanDerWaalsContact O-CB 3.27Å; L979-S982 WeakPolarHBondContact O-CB 3.26Å; L979-S982 PolarHBondContact O-N 3Å; L980-S982 VanDerWaalsContact C-N 3.33Å; S982-E984 VanDerWaalsContact C-N 3.35Å; S982-E984 PolarHBondContact O-N 3.02Å; S982-N985 PolarHBondContact O-N 3.01Å; S982-M986 PolarHBondContact O-N 3.48Å; S982-M986 VanDerWaalsContact O-N 3.14Å
983	E	77.9	Confident	81.3	Confident	74 Å²	74	106.3 Å²	106.3	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-36.5	175.1	-69.3	-167.9	-173.4	0	0	114.1	L979 L980 M986 K987	L979-E983 PolarHBondContact O-N 3.34Å; L980-E983 PolarHBondContact O-N 3.21Å; E983-M986 HydrophobicContact CG-CE 4.29Å; E983-M986 PolarHBondContact O-N 2.99Å; E983-K987 WeakPolarHBondContact O-CD 3.4Å; E983-K987 WeakPolarHBondContact O-CG 3.2Å; E983-K987 PolarHBondContact O-N 3.01Å; E983-K987 IonicContact OE2-NZ 3.12Å; E983-K987 PolarHBondContact OE2-NZ 3.29Å
984	E	81.2	Confident	81.2	Confident	142 Å²	142	105.8 Å²	105.8	66%	0.664	53%	0.527	S	S	*	.	H	α-helix	trans	-65.2	-43	178.1	-169	163.8	-144.8	0	0	111.1	L980 K981 S982 M986 K987 D988	L980-E984 PolarHBondContact O-N 3.11Å; L980-E984 VanDerWaalsContact O-N 3.13Å; K981-E984 PolarHBondContact O-N 3.45Å; S982-E984 VanDerWaalsContact C-N 3.35Å; S982-E984 PolarHBondContact O-N 3.02Å; E984-M986 VanDerWaalsContact C-N 3.32Å; E984-M986 PolarHBondContact O-N 3.29Å; E984-K987 PolarHBondContact O-N 3.29Å; E984-K987 VanDerWaalsContact O-N 3.1Å; E984-D988 PolarHBondContact O-N 2.74Å
985	N	81.6	Confident	81.3	Confident	109 Å²	109	104.1 Å²	104.1	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-61.1	-37.1	173.2	-69.9	-46.6	0	0	0	112.9	K981 S982 K987 D988 I989	K981-N985 PolarHBondContact O-N 3.24Å; K981-N985 PolarHBondContact O-ND2 3.2Å; S982-N985 PolarHBondContact O-N 3.01Å; N985-K987 VanDerWaalsContact C-N 3.29Å; N985-K987 PolarHBondContact O-N 3.35Å; N985-D988 PolarHBondContact O-N 3.24Å; N985-I989 WeakPolarHBondContact O-CG1 3.41Å; N985-I989 PolarHBondContact O-N 3.08Å
986	M	72.9	Confident	81.3	Confident	103 Å²	103	98.7 Å²	98.7	51%	0.507	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-32	175.2	-70.1	-165.3	-69.7	0	0	112.7	S982 E983 E984 I989 Q990	S982-M986 PolarHBondContact O-N 3.48Å; S982-M986 VanDerWaalsContact O-N 3.14Å; E983-M986 HydrophobicContact CG-CE 4.29Å; E983-M986 PolarHBondContact O-N 2.99Å; E984-M986 VanDerWaalsContact C-N 3.32Å; E984-M986 PolarHBondContact O-N 3.29Å; M986-I989 PolarHBondContact O-N 2.82Å; M986-Q990 WeakPolarHBondContact O-CG 3.39Å; M986-Q990 PolarHBondContact O-N 3.23Å
987	K	81.3	Confident	81.5	Confident	110 Å²	110	99.8 Å²	99.8	48%	0.478	52%	0.515	S	S	.	.	H	α-helix	trans	-72	-35.5	179.7	-69.1	157.1	-169.5	153.5	0	112	E983 E984 N985 S991	E983-K987 WeakPolarHBondContact O-CD 3.4Å; E983-K987 WeakPolarHBondContact O-CG 3.2Å; E983-K987 PolarHBondContact O-N 3.01Å; E983-K987 IonicContact OE2-NZ 3.12Å; E983-K987 PolarHBondContact OE2-NZ 3.29Å; E984-K987 PolarHBondContact O-N 3.29Å; E984-K987 VanDerWaalsContact O-N 3.1Å; N985-K987 VanDerWaalsContact C-N 3.29Å; N985-K987 PolarHBondContact O-N 3.35Å; K987-S991 WeakPolarHBondContact O-CB 3.39Å; K987-S991 PolarHBondContact O-N 3.18Å; K987-S991 PolarHBondContact O-OG 3.38Å
988	D	85.8	Confident	81.6	Confident	80 Å²	80	101.5 Å²	101.5	43%	0.428	52%	0.519	S	S	.	.	H	α-helix	trans	-59.9	-50.9	169.6	178.6	69.4	0	0	0	111.3	E984 N985 Q990 S991 R992	E984-D988 PolarHBondContact O-N 2.74Å; N985-D988 PolarHBondContact O-N 3.24Å; D988-Q990 VanDerWaalsContact C-N 3.35Å; D988-Q990 PolarHBondContact O-N 2.99Å; D988-S991 WeakPolarHBondContact O-CB 3.26Å; D988-S991 PolarHBondContact O-N 3.32Å; D988-S991 VanDerWaalsContact O-N 3.14Å; D988-R992 WeakPolarHBondContact O-CG 3.46Å; D988-R992 PolarHBondContact O-N 2.84Å; D988-R992 WeakPolarHBondContact OD2-CD 3.35Å; D988-R992 IonicContact OD2-CZ 3.33Å; D988-R992 IonicContact OD2-NE 3.13Å; D988-R992 IonicContact OD2-NH1 2.69Å; D988-R992 PolarHBondContact OD2-NH1 3.29Å
989	I	81.5	Confident	81.7	Confident	97 Å²	97	101.5 Å²	101.5	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-43.7	-178.4	-64.9	167.5	0	0	0	110.9	N985 M986 R992 L993	N985-I989 WeakPolarHBondContact O-CG1 3.41Å; N985-I989 PolarHBondContact O-N 3.08Å; M986-I989 PolarHBondContact O-N 2.82Å; I989-R992 PolarHBondContact O-N 2.89Å; I989-L993 HydrophobicContact CG2-CD1 4.38Å; I989-L993 PolarHBondContact O-N 3Å
990	Q	81.3	Confident	81.9	Confident	132 Å²	132	100.4 Å²	100.4	62%	0.617	51%	0.512	S	S	*	.	H	α-helix	trans	-62.2	-41.4	174.8	-76.2	-177.9	-8.3	0	0	113	M986 D988 R992 L993 Q994	M986-Q990 WeakPolarHBondContact O-CG 3.39Å; M986-Q990 PolarHBondContact O-N 3.23Å; D988-Q990 VanDerWaalsContact C-N 3.35Å; D988-Q990 PolarHBondContact O-N 2.99Å; Q990-R992 VanDerWaalsContact C-N 3.31Å; Q990-R992 PolarHBondContact O-N 2.91Å; Q990-L993 PolarHBondContact O-N 2.73Å; Q990-Q994 PolarHBondContact O-N 3.05Å
991	S	83.7	Confident	82	Confident	77 Å²	77	101 Å²	101	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-40.3	178	-57	0	0	0	0	111.6	K987 D988 Q994 A995	K987-S991 WeakPolarHBondContact O-CB 3.39Å; K987-S991 PolarHBondContact O-N 3.18Å; K987-S991 PolarHBondContact O-OG 3.38Å; D988-S991 WeakPolarHBondContact O-CB 3.26Å; D988-S991 PolarHBondContact O-N 3.32Å; D988-S991 VanDerWaalsContact O-N 3.14Å; S991-Q994 PolarHBondContact O-N 2.96Å; S991-A995 PolarHBondContact O-N 3.45Å; S991-A995 VanDerWaalsContact O-N 3.13Å
992	R	85.2	Confident	82	Confident	166 Å²	166	99.6 Å²	99.6	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-69.9	-37.6	178	-68.3	163	62.8	-179.7	0.4	112.5	D988 I989 Q990 A995 A996	D988-R992 WeakPolarHBondContact O-CG 3.46Å; D988-R992 PolarHBondContact O-N 2.84Å; D988-R992 WeakPolarHBondContact OD2-CD 3.35Å; D988-R992 IonicContact OD2-CZ 3.33Å; D988-R992 IonicContact OD2-NE 3.13Å; D988-R992 IonicContact OD2-NH1 2.69Å; D988-R992 PolarHBondContact OD2-NH1 3.29Å; I989-R992 PolarHBondContact O-N 2.89Å; Q990-R992 VanDerWaalsContact C-N 3.31Å; Q990-R992 PolarHBondContact O-N 2.91Å; R992-A995 PolarHBondContact O-N 3.08Å; R992-A996 PolarHBondContact O-N 3.45Å; R992-A996 VanDerWaalsContact O-N 3.12Å
993	L	82.2	Confident	82.4	Confident	101 Å²	101	100.5 Å²	100.5	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-39.6	171.6	-93.2	165.3	0	0	0	112.4	I989 Q990 A996 N997	I989-L993 HydrophobicContact CG2-CD1 4.38Å; I989-L993 PolarHBondContact O-N 3Å; Q990-L993 PolarHBondContact O-N 2.73Å; L993-A996 PolarHBondContact O-N 2.95Å; L993-N997 PolarHBondContact O-N 2.72Å; L993-N997 VanDerWaalsContact O-N 3.1Å; L993-N997 PolarHBondContact O-ND2 3.5Å; L993-N997 VanDerWaalsContact O-ND2 3.14Å
994	Q	81.8	Confident	82.7	Confident	108 Å²	108	103.2 Å²	103.2	51%	0.505	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-45.4	176.7	-171.2	-178.3	-36.3	0	0	111.4	Q990 S991 A996 N997 E998	Q990-Q994 PolarHBondContact O-N 3.05Å; S991-Q994 PolarHBondContact O-N 2.96Å; Q994-A996 VanDerWaalsContact C-N 3.28Å; Q994-A996 PolarHBondContact O-N 2.92Å; Q994-N997 PolarHBondContact O-N 3.25Å; Q994-E998 WeakPolarHBondContact CG-OE1 3.49Å; Q994-E998 PolarHBondContact NE2-OE1 2.99Å; Q994-E998 PolarHBondContact O-N 3.36Å
995	A	84.7	Confident	82.8	Confident	60 Å²	60	101.3 Å²	101.3	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-60	-36.4	176.9	0	0	0	0	0	112.8	S991 R992 H999	S991-A995 PolarHBondContact O-N 3.45Å; S991-A995 VanDerWaalsContact O-N 3.13Å; R992-A995 PolarHBondContact O-N 3.08Å; A995-H999 PolarHBondContact O-N 3.16Å
996	A	82.4	Confident	82.9	Confident	49 Å²	49	100.2 Å²	100.2	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-44.6	174	0	0	0	0	0	112.3	R992 L993 Q994 H999 I1000	R992-A996 PolarHBondContact O-N 3.45Å; R992-A996 VanDerWaalsContact O-N 3.12Å; L993-A996 PolarHBondContact O-N 2.95Å; Q994-A996 VanDerWaalsContact C-N 3.28Å; Q994-A996 PolarHBondContact O-N 2.92Å; A996-H999 WeakPolarHBondContact O-CB 3.28Å; A996-H999 PolarHBondContact O-N 2.71Å; A996-I1000 WeakPolarHBondContact O-CG1 3.33Å; A996-I1000 PolarHBondContact O-N 3.05Å; A996-I1000 VanDerWaalsContact O-N 3.13Å
997	N	83.8	Confident	83.2	Confident	89 Å²	89	98.9 Å²	98.9	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-42	178.3	-72.2	-39.6	0	0	0	112.6	L993 Q994 H999 I1000 D1001	L993-N997 PolarHBondContact O-N 2.72Å; L993-N997 VanDerWaalsContact O-N 3.1Å; L993-N997 PolarHBondContact O-ND2 3.5Å; L993-N997 VanDerWaalsContact O-ND2 3.14Å; Q994-N997 PolarHBondContact O-N 3.25Å; N997-H999 PolarHBondContact O-N 3.04Å; N997-I1000 WeakPolarHBondContact O-CB 3.36Å; N997-I1000 PolarHBondContact O-N 3.04Å; N997-D1001 PolarHBondContact O-N 2.88Å
998	E	85.1	Confident	83.2	Confident	109 Å²	109	96.8 Å²	96.8	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-62.2	-29.7	176.3	-70.6	175.2	-173.4	0	0	111.8	Q994 Q1002	Q994-E998 WeakPolarHBondContact CG-OE1 3.49Å; Q994-E998 PolarHBondContact NE2-OE1 2.99Å; Q994-E998 PolarHBondContact O-N 3.36Å; E998-Q1002 PolarHBondContact O-N 2.83Å
999	H	84.1	Confident	83	Confident	126 Å²	126	97.9 Å²	97.9	58%	0.583	50%	0.501	S	S	*	.	H	α-helix	trans	-77.2	-23.9	174.2	-148.2	-48.7	0	0	0	113.6	A995 A996 N997 L1003	A995-H999 PolarHBondContact O-N 3.16Å; A996-H999 WeakPolarHBondContact O-CB 3.28Å; A996-H999 PolarHBondContact O-N 2.71Å; N997-H999 PolarHBondContact O-N 3.04Å; H999-L1003 WeakPolarHBondContact O-CG 3.49Å
1000	I	83	Confident	82.9	Confident	89 Å²	89	99 Å²	99	46%	0.456	51%	0.507	S	S	.	.	H	α-helix	trans	-76.6	-47	173.4	-67.7	166.6	0	0	0	110.5	A996 N997 Q1002 L1003 E1004	A996-I1000 WeakPolarHBondContact O-CG1 3.33Å; A996-I1000 PolarHBondContact O-N 3.05Å; A996-I1000 VanDerWaalsContact O-N 3.13Å; N997-I1000 WeakPolarHBondContact O-CB 3.36Å; N997-I1000 PolarHBondContact O-N 3.04Å; I1000-Q1002 PolarHBondContact O-N 3.47Å; I1000-L1003 PolarHBondContact O-N 3.06Å; I1000-E1004 PolarHBondContact O-N 3.11Å
1001	D	83.9	Confident	82.8	Confident	113 Å²	113	101.9 Å²	101.9	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-53.6	-39.8	176.8	-84.8	0.3	0	0	0	111.8	N997 E1004 K1005	N997-D1001 PolarHBondContact O-N 2.88Å; D1001-E1004 PolarHBondContact O-N 3.4Å; D1001-K1005 PolarHBondContact O-N 3.14Å
1002	Q	84.1	Confident	82.4	Confident	93 Å²	93	104.7 Å²	104.7	44%	0.435	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176	-176.3	66	24	0	0	112.2	E998 I1000 K1005 E1006	E998-Q1002 PolarHBondContact O-N 2.83Å; I1000-Q1002 PolarHBondContact O-N 3.47Å; Q1002-K1005 WeakPolarHBondContact O-CB 3.3Å; Q1002-K1005 PolarHBondContact O-N 3.27Å; Q1002-E1006 PolarHBondContact NE2-OE1 2.88Å; Q1002-E1006 PolarHBondContact O-N 3.06Å; Q1002-E1006 VanDerWaalsContact O-N 3.16Å
1003	L	83.6	Confident	82	Confident	83 Å²	83	99.3 Å²	99.3	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-70.9	-31.6	178.1	-70.6	169	0	0	0	112.7	H999 I1000 N1007	H999-L1003 WeakPolarHBondContact O-CG 3.49Å; I1000-L1003 PolarHBondContact O-N 3.06Å; L1003-N1007 WeakPolarHBondContact O-CB 3.49Å; L1003-N1007 PolarHBondContact O-N 3.1Å; L1003-N1007 PolarHBondContact O-ND2 3.3Å
1004	E	83	Confident	81.9	Confident	132 Å²	132	98.1 Å²	98.1	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-41.9	171.4	-70.9	-152.7	153.8	0	0	111.5	I1000 D1001 N1007 S1008	I1000-E1004 PolarHBondContact O-N 3.11Å; D1001-E1004 PolarHBondContact O-N 3.4Å; E1004-N1007 PolarHBondContact O-N 3.25Å; E1004-S1008 PolarHBondContact O-N 2.78Å
1005	K	83.2	Confident	81.8	Confident	102 Å²	102	99.6 Å²	99.6	44%	0.443	51%	0.513	S	S	.	.	H	α-helix	trans	-60.9	-49.4	177.2	-178	-179.2	172.4	-61.1	0	111.4	D1001 Q1002 N1007 S1008 E1009	D1001-K1005 PolarHBondContact O-N 3.14Å; Q1002-K1005 WeakPolarHBondContact O-CB 3.3Å; Q1002-K1005 PolarHBondContact O-N 3.27Å; K1005-N1007 VanDerWaalsContact C-N 3.34Å; K1005-N1007 PolarHBondContact O-N 3.15Å; K1005-S1008 WeakPolarHBondContact O-CB 3.28Å; K1005-S1008 PolarHBondContact O-N 3.33Å; K1005-S1008 PolarHBondContact O-OG 3.28Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.48Å; K1005-E1009 IonicContact NZ-OE1 2.68Å; K1005-E1009 PolarHBondContact NZ-OE1 2.1Å; K1005-E1009 IonicContact NZ-OE2 3.82Å; K1005-E1009 PolarHBondContact O-N 3.23Å; K1005-E1009 VanDerWaalsContact O-N 3.16Å
1006	E	85.4	Confident	81.4	Confident	85 Å²	85	101.1 Å²	101.1	40%	0.397	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-39.9	177.8	-70.8	169.3	-163.6	0	0	112.1	Q1002 S1008 E1009 L1010	Q1002-E1006 PolarHBondContact NE2-OE1 2.88Å; Q1002-E1006 PolarHBondContact O-N 3.06Å; Q1002-E1006 VanDerWaalsContact O-N 3.16Å; E1006-S1008 VanDerWaalsContact C-N 3.31Å; E1006-S1008 PolarHBondContact O-N 2.96Å; E1006-E1009 PolarHBondContact O-N 3.04Å; E1006-L1010 WeakPolarHBondContact O-CG 3.4Å; E1006-L1010 PolarHBondContact O-N 3.43Å; E1006-L1010 VanDerWaalsContact O-N 3.11Å
1007	N	78.2	Confident	81	Confident	76 Å²	76	105.3 Å²	105.3	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-34.9	171.9	-87.7	-78	0	0	0	113.1	L1003 E1004 K1005 R1011	L1003-N1007 WeakPolarHBondContact O-CB 3.49Å; L1003-N1007 PolarHBondContact O-N 3.1Å; L1003-N1007 PolarHBondContact O-ND2 3.3Å; E1004-N1007 PolarHBondContact O-N 3.25Å; K1005-N1007 VanDerWaalsContact C-N 3.34Å; K1005-N1007 PolarHBondContact O-N 3.15Å; N1007-R1011 VanDerWaalsContact O-CG 3.31Å; N1007-R1011 WeakPolarHBondContact O-CG 3.47Å; N1007-R1011 PolarHBondContact O-N 3Å; N1007-R1011 VanDerWaalsContact O-N 3.16Å
1008	S	80.7	Confident	80.6	Confident	66 Å²	66	106.1 Å²	106.1	46%	0.462	52%	0.524	S	S	.	.	H	α-helix	trans	-68.3	-40.8	178.6	78.1	0	0	0	0	112.1	E1004 K1005 E1006 R1011 E1012	E1004-S1008 PolarHBondContact O-N 2.78Å; K1005-S1008 WeakPolarHBondContact O-CB 3.28Å; K1005-S1008 PolarHBondContact O-N 3.33Å; K1005-S1008 PolarHBondContact O-OG 3.28Å; E1006-S1008 VanDerWaalsContact C-N 3.31Å; E1006-S1008 PolarHBondContact O-N 2.96Å; S1008-R1011 PolarHBondContact O-N 3.36Å; S1008-E1012 PolarHBondContact O-N 3.43Å; S1008-E1012 VanDerWaalsContact O-N 3.16Å
1009	E	82.6	Confident	80.1	Confident	103 Å²	103	104.6 Å²	104.6	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-39.7	179.4	-68.9	171.2	-165.2	0	0	111.4	K1005 E1006 R1011 E1012 A1013	K1005-E1009 WeakPolarHBondContact CE-OE1 3.48Å; K1005-E1009 IonicContact NZ-OE1 2.68Å; K1005-E1009 PolarHBondContact NZ-OE1 2.1Å; K1005-E1009 IonicContact NZ-OE2 3.82Å; K1005-E1009 PolarHBondContact O-N 3.23Å; K1005-E1009 VanDerWaalsContact O-N 3.16Å; E1006-E1009 PolarHBondContact O-N 3.04Å; E1009-R1011 PolarHBondContact O-N 3.45Å; E1009-E1012 PolarHBondContact O-N 2.99Å; E1009-A1013 PolarHBondContact O-N 3.44Å
1010	L	79.2	Confident	79.7	Confident	121 Å²	121	102.2 Å²	102.2	63%	0.634	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-38.3	172.9	-72.1	169.8	0	0	0	113	E1006 S1014	E1006-L1010 WeakPolarHBondContact O-CG 3.4Å; E1006-L1010 PolarHBondContact O-N 3.43Å; E1006-L1010 VanDerWaalsContact O-N 3.11Å; L1010-S1014 WeakPolarHBondContact O-CB 3.38Å; L1010-S1014 PolarHBondContact O-N 3.2Å
1011	R	79.1	Confident	79.2	Confident	191 Å²	191	103.1 Å²	103.1	72%	0.721	52%	0.516	S	S	*	.	H	α-helix	trans	-66	-40.3	176.4	-75.9	174.8	-177.9	-159.4	2.3	112.2	N1007 S1008 E1009 K1015	N1007-R1011 VanDerWaalsContact O-CG 3.31Å; N1007-R1011 WeakPolarHBondContact O-CG 3.47Å; N1007-R1011 PolarHBondContact O-N 3Å; N1007-R1011 VanDerWaalsContact O-N 3.16Å; S1008-R1011 PolarHBondContact O-N 3.36Å; E1009-R1011 PolarHBondContact O-N 3.45Å; R1011-K1015 PolarHBondContact O-N 3.48Å; R1011-K1015 VanDerWaalsContact O-N 3.12Å
1012	E	76	Confident	78.8	Confident	136 Å²	136	102.3 Å²	102.3	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-70.2	-41.5	178.6	-170.5	152.6	-152	0	0	111.7	S1008 E1009 S1014 K1015 I1016	S1008-E1012 PolarHBondContact O-N 3.43Å; S1008-E1012 VanDerWaalsContact O-N 3.16Å; E1009-E1012 PolarHBondContact O-N 2.99Å; E1012-S1014 PolarHBondContact O-N 3.04Å; E1012-K1015 PolarHBondContact O-N 2.88Å; E1012-I1016 HydrophobicContact CG-CD1 4.27Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.31Å; E1012-I1016 PolarHBondContact O-N 2.65Å
1013	A	76.8	Confident	78.3	Confident	54 Å²	54	104 Å²	104	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-59.5	-44.1	173.4	0	0	0	0	0	112.9	E1009 K1015 I1016 Q1017	E1009-A1013 PolarHBondContact O-N 3.44Å; A1013-K1015 PolarHBondContact O-N 2.84Å; A1013-I1016 PolarHBondContact O-N 3.35Å; A1013-Q1017 PolarHBondContact O-N 3.04Å; A1013-Q1017 VanDerWaalsContact O-N 3.1Å
1014	S	78.7	Confident	77.5	Confident	75 Å²	75	104.6 Å²	104.6	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-42.4	176.1	179.8	0	0	0	0	112.2	L1010 E1012 I1016 Q1017 H1018	L1010-S1014 WeakPolarHBondContact O-CB 3.38Å; L1010-S1014 PolarHBondContact O-N 3.2Å; E1012-S1014 PolarHBondContact O-N 3.04Å; S1014-I1016 PolarHBondContact O-N 3.43Å; S1014-Q1017 PolarHBondContact O-N 3.17Å; S1014-H1018 PolarHBondContact O-N 3.48Å
1015	K	80.2	Confident	77	Confident	139 Å²	139	107 Å²	107	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-63.1	-42.2	176.7	-168.5	176.9	-179.7	-177.3	0	112.3	R1011 E1012 A1013 Q1017 H1018 D1019	R1011-K1015 PolarHBondContact O-N 3.48Å; R1011-K1015 VanDerWaalsContact O-N 3.12Å; E1012-K1015 PolarHBondContact O-N 2.88Å; A1013-K1015 PolarHBondContact O-N 2.84Å; K1015-Q1017 VanDerWaalsContact C-N 3.33Å; K1015-Q1017 PolarHBondContact O-N 3.45Å; K1015-H1018 WeakPolarHBondContact O-CB 3.47Å; K1015-H1018 PolarHBondContact O-N 3.05Å; K1015-H1018 VanDerWaalsContact O-N 3.17Å; K1015-D1019 PolarHBondContact O-N 2.87Å
1016	I	77.4	Confident	76.5	Confident	92 Å²	92	105.4 Å²	105.4	47%	0.472	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-39.4	176.4	-67.2	164	0	0	0	111.3	E1012 A1013 S1014 N1020	E1012-I1016 HydrophobicContact CG-CD1 4.27Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.31Å; E1012-I1016 PolarHBondContact O-N 2.65Å; A1013-I1016 PolarHBondContact O-N 3.35Å; S1014-I1016 PolarHBondContact O-N 3.43Å; I1016-N1020 WeakPolarHBondContact O-CB 3.32Å; I1016-N1020 VanDerWaalsContact O-CG 3.25Å; I1016-N1020 PolarHBondContact O-N 3.29Å; I1016-N1020 VanDerWaalsContact O-N 3.14Å; I1016-N1020 PolarHBondContact O-ND2 3.43Å; I1016-N1020 VanDerWaalsContact O-ND2 3.14Å
1017	Q	73.6	Confident	75.7	Confident	138 Å²	138	107.5 Å²	107.5	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-63.5	-42.4	172.9	-76.6	-170.5	-20.7	0	0	112.4	A1013 S1014 K1015 N1020 L1021	A1013-Q1017 PolarHBondContact O-N 3.04Å; A1013-Q1017 VanDerWaalsContact O-N 3.1Å; S1014-Q1017 PolarHBondContact O-N 3.17Å; K1015-Q1017 VanDerWaalsContact C-N 3.33Å; K1015-Q1017 PolarHBondContact O-N 3.45Å; Q1017-N1020 PolarHBondContact O-N 2.82Å; Q1017-L1021 PolarHBondContact O-N 2.87Å
1018	H	75.8	Confident	75	Confident	106 Å²	106	111 Å²	111	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-62.1	-47.9	178.4	-168.6	91.9	0	0	0	112.2	S1014 K1015 N1020 L1021 M1022	S1014-H1018 PolarHBondContact O-N 3.48Å; K1015-H1018 WeakPolarHBondContact O-CB 3.47Å; K1015-H1018 PolarHBondContact O-N 3.05Å; K1015-H1018 VanDerWaalsContact O-N 3.17Å; H1018-N1020 VanDerWaalsContact C-N 3.28Å; H1018-N1020 PolarHBondContact O-N 3.16Å; H1018-L1021 PolarHBondContact O-N 2.93Å; H1018-M1022 WeakPolarHBondContact NE2-CE 3.41Å; H1018-M1022 WeakPolarHBondContact O-CG 3.34Å; H1018-M1022 PolarHBondContact O-N 3.09Å
1019	D	74.7	Confident	74.2	Confident	77 Å²	77	111.6 Å²	111.6	41%	0.412	56%	0.561	S	S	.	*	H	α-helix	trans	-62.4	-35.4	178.4	-71.2	-16	0	0	0	112	K1015 K1023	K1015-D1019 PolarHBondContact O-N 2.87Å; D1019-K1023 WeakPolarHBondContact O-CG 3.44Å; D1019-K1023 PolarHBondContact O-N 3.48Å; D1019-K1023 VanDerWaalsContact O-N 3.09Å
1020	N	75.3	Confident	72.9	Confident	75 Å²	75	112.4 Å²	112.4	40%	0.401	57%	0.569	S	S	.	*	H	α-helix	trans	-71.5	-40.1	175.6	-73	-25.9	0	0	0	112.6	I1016 Q1017 H1018 M1022 K1023 I1024	I1016-N1020 WeakPolarHBondContact O-CB 3.32Å; I1016-N1020 VanDerWaalsContact O-CG 3.25Å; I1016-N1020 PolarHBondContact O-N 3.29Å; I1016-N1020 VanDerWaalsContact O-N 3.14Å; I1016-N1020 PolarHBondContact O-ND2 3.43Å; I1016-N1020 VanDerWaalsContact O-ND2 3.14Å; Q1017-N1020 PolarHBondContact O-N 2.82Å; H1018-N1020 VanDerWaalsContact C-N 3.28Å; H1018-N1020 PolarHBondContact O-N 3.16Å; N1020-M1022 VanDerWaalsContact C-N 3.33Å; N1020-M1022 PolarHBondContact O-N 3.07Å; N1020-K1023 PolarHBondContact O-N 3.34Å; N1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; N1020-I1024 PolarHBondContact O-N 2.98Å
1021	L	72	Confident	71.1	Confident	109 Å²	109	111 Å²	111	57%	0.571	57%	0.569	S	S	*	*	H	α-helix	trans	-62.3	-39.4	173.2	-81.9	165.9	0	0	0	112.2	Q1017 H1018 I1024 R1025	Q1017-L1021 PolarHBondContact O-N 2.87Å; H1018-L1021 PolarHBondContact O-N 2.93Å; L1021-I1024 PolarHBondContact O-N 3.41Å; L1021-R1025 PolarHBondContact O-N 2.96Å
1022	M	74.8	Confident	69.5	Low	96 Å²	96	107.7 Å²	107.7	47%	0.473	57%	0.572	S	S	.	*	H	α-helix	trans	-64.7	-41.2	174.6	-72.6	-63.1	-169.5	0	0	112.2	H1018 N1020 R1025 S1026	H1018-M1022 WeakPolarHBondContact NE2-CE 3.41Å; H1018-M1022 WeakPolarHBondContact O-CG 3.34Å; H1018-M1022 PolarHBondContact O-N 3.09Å; N1020-M1022 VanDerWaalsContact C-N 3.33Å; N1020-M1022 PolarHBondContact O-N 3.07Å; M1022-R1025 PolarHBondContact O-N 3.31Å; M1022-S1026 WeakPolarHBondContact O-CB 3.5Å; M1022-S1026 PolarHBondContact O-N 3.12Å
1023	K	73.7	Confident	67.8	Low	129 Å²	129	106.8 Å²	106.8	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-61.6	-44.5	173	-74	168.5	-174.7	167	0	112.3	D1019 N1020 R1025 S1026 L1027	D1019-K1023 WeakPolarHBondContact O-CG 3.44Å; D1019-K1023 PolarHBondContact O-N 3.48Å; D1019-K1023 VanDerWaalsContact O-N 3.09Å; N1020-K1023 PolarHBondContact O-N 3.34Å; K1023-R1025 PolarHBondContact O-N 2.83Å; K1023-S1026 PolarHBondContact O-N 3.12Å; K1023-L1027 WeakPolarHBondContact O-CG 3.35Å; K1023-L1027 PolarHBondContact O-N 2.7Å
1024	I	67.9	Low	65.6	Low	95 Å²	95	110.8 Å²	110.8	49%	0.487	60%	0.6	S	S	.	*	H	α-helix	trans	-62.1	-43.6	178.2	-68.2	164.7	0	0	0	110.7	N1020 L1021 S1026 L1027 M1028	N1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; N1020-I1024 PolarHBondContact O-N 2.98Å; L1021-I1024 PolarHBondContact O-N 3.41Å; I1024-S1026 PolarHBondContact O-N 3.44Å; I1024-L1027 PolarHBondContact O-N 3.41Å; I1024-M1028 HydrophobicContact CG2-CG 4.41Å; I1024-M1028 WeakPolarHBondContact O-CB 3.39Å; I1024-M1028 WeakPolarHBondContact O-CG 3.14Å; I1024-M1028 PolarHBondContact O-N 3.45Å
1025	R	72.5	Confident	63.5	Low	183 Å²	183	113.9 Å²	113.9	69%	0.691	62%	0.616	S	S	*	*	H	α-helix	trans	-59.6	-43.7	172.6	-80.7	-177.7	169.7	175.4	-3	112.7	L1021 M1022 K1023 L1027 M1028 A1029	L1021-R1025 PolarHBondContact O-N 2.96Å; M1022-R1025 PolarHBondContact O-N 3.31Å; K1023-R1025 PolarHBondContact O-N 2.83Å; R1025-L1027 VanDerWaalsContact C-N 3.34Å; R1025-L1027 PolarHBondContact O-N 3.06Å; R1025-M1028 PolarHBondContact O-N 3.07Å; R1025-A1029 WeakPolarHBondContact O-CB 3.42Å; R1025-A1029 PolarHBondContact O-N 3.18Å
1026	S	71.3	Confident	61	Low	67 Å²	67	110.4 Å²	110.4	47%	0.469	62%	0.62	S	S	.	*	H	α-helix	trans	-63.8	-37.7	178.6	-174.3	0	0	0	0	112.5	M1022 K1023 I1024 N1030	M1022-S1026 WeakPolarHBondContact O-CB 3.5Å; M1022-S1026 PolarHBondContact O-N 3.12Å; K1023-S1026 PolarHBondContact O-N 3.12Å; I1024-S1026 PolarHBondContact O-N 3.44Å; S1026-N1030 PolarHBondContact O-ND2 3.39Å
1027	L	70.1	Confident	58.7	Low	130 Å²	130	114.1 Å²	114.1	68%	0.681	64%	0.64	S	S	*	*	H	α-helix	trans	-69.8	-44.5	175.4	-69.3	168.2	0	0	0	112	K1023 I1024 R1025 A1029 N1030	K1023-L1027 WeakPolarHBondContact O-CG 3.35Å; K1023-L1027 PolarHBondContact O-N 2.7Å; I1024-L1027 PolarHBondContact O-N 3.41Å; R1025-L1027 VanDerWaalsContact C-N 3.34Å; R1025-L1027 PolarHBondContact O-N 3.06Å; L1027-A1029 PolarHBondContact O-N 3.28Å; L1027-N1030 PolarHBondContact O-N 3.26Å
1028	M	63.1	Low	56.5	Low	149 Å²	149	114 Å²	114	73%	0.734	65%	0.648	S	S	*	*	H	α-helix	trans	-59.2	-33.1	175.5	-71.2	-80.8	-166.3	0	0	113	I1024 R1025	I1024-M1028 HydrophobicContact CG2-CG 4.41Å; I1024-M1028 WeakPolarHBondContact O-CB 3.39Å; I1024-M1028 WeakPolarHBondContact O-CG 3.14Å; I1024-M1028 PolarHBondContact O-N 3.45Å; R1025-M1028 PolarHBondContact O-N 3.07Å
1029	A	63.2	Low	54.3	Low	79 Å²	79	115.5 Å²	115.5	65%	0.653	67%	0.665	S	S	*	*	H	α-helix	trans	-78.9	-16.6	-178	0	0	0	0	0	114.4	R1025 L1027	R1025-A1029 WeakPolarHBondContact O-CB 3.42Å; R1025-A1029 PolarHBondContact O-N 3.18Å; L1027-A1029 PolarHBondContact O-N 3.28Å
1030	N	56.3	Low	51.9	Low	119 Å²	119	120.2 Å²	120.2	64%	0.636	68%	0.684	S	S	*	*	S	Bend	trans	-116.7	9.8	-165.8	-75.2	-54.9	0	0	0	114.9	S1026 L1027 P1032	S1026-N1030 PolarHBondContact O-ND2 3.39Å; L1027-N1030 PolarHBondContact O-N 3.26Å; N1030-P1032 WeakPolarHBondContact O-CD 3.4Å
1031	S	40.8	Very low	49.7	Very low	91 Å²	91	123.2 Å²	123.2	64%	0.636	70%	0.7	S	S	*	*			trans	-90.2	112.2	172.1	56.9	0	0	0	0	111.3
1032	P	46	Very low	47.4	Very low	122 Å²	122	126.7 Å²	126.7	79%	0.792	71%	0.711	S	S	*	*			trans	-68.8	150.6	-179.2	-19.5	33.8	0	0	0	112.9	N1030 T1034	N1030-P1032 WeakPolarHBondContact O-CD 3.4Å; P1032-T1034 PolarHBondContact O-N 2.95Å; P1032-T1034 VanDerWaalsContact O-N 3.16Å
1033	S	39.4	Very low	45.3	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	73%	0.728	S	S	*	*			trans	-67.9	107.6	177.4	57.4	0	0	0	0	112.3
1034	T	31.5	Very low	43.1	Very low	138 Å²	138	128.1 Å²	128.1	85%	0.847	73%	0.733	S	S	*	*			trans	-112	125.2	150.6	-56.2	0	0	0	0	107.7	P1032 G1036	P1032-T1034 PolarHBondContact O-N 2.95Å; P1032-T1034 VanDerWaalsContact O-N 3.16Å; T1034-G1036 PolarHBondContact O-N 2.83Å
1035	T	34.2	Very low	41.3	Very low	139 Å²	139	130.2 Å²	130.2	85%	0.853	75%	0.745	S	S	*	*			trans	-77.1	110.6	-170.7	46.1	0	0	0	0	112.6
1036	G	28.6	Very low	39.2	Very low	67 Å²	67	127.1 Å²	127.1	69%	0.691	75%	0.747	S	S	*	*			trans	82	112.2	154.2	0	0	0	0	0	117	T1034	T1034-G1036 PolarHBondContact O-N 2.83Å
1037	L	27.7	Very low	37.2	Very low	169 Å²	169	130 Å²	130	89%	0.885	76%	0.764	S	S	*	*				-168.5	141.8	121.5	-102.7	164.4	0	0	0	110.6
1038	T	28	Very low	35.2	Very low	135 Å²	135	129.8 Å²	129.8	83%	0.828	77%	0.768	S	S	*	*			trans	-95.7	118.9	-180	46.9	0	0	0	0	111.2
1039	V	29.7	Very low	33.5	Very low	138 Å²	138	131 Å²	131	84%	0.836	78%	0.777	S	S	*	*			trans	-143.1	136.5	168	-179.5	0	0	0	0	110.2
1040	E	24.7	Very low	31.9	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	79%	0.787	S	S	*	*			trans	-87.4	146.5	174.3	-49.7	174.5	119	0	0	111.8
1041	N	27.8	Very low	30.4	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	80%	0.797	S	S	*	*			trans	175.9	128.5	143.2	-92.2	-50.7	0	0	0	108.1
1042	K	24.6	Very low	29.7	Very low	183 Å²	183	148.1 Å²	148.1	80%	0.796	81%	0.811	S	S	*	*				62.9	104.1	70.8	-67.9	-174.7	-177	165	0	114.5
1043	L	30.3	Very low	28.8	Very low	158 Å²	158	147.2 Å²	147.2	83%	0.827	81%	0.808	S	S	*	*			trans	160.2	111.6	147.3	-89.4	156.5	0	0	0	106.7
1044	S	27	Very low	28.2	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	81%	0.808	S	S	*	*			cis	76.2	76.9	20.7	92.2	0	0	0	0	116.3
1045	N	29.8	Very low	27.9	Very low	139 Å²	139	146.1 Å²	146.1	74%	0.743	80%	0.801	S	S	*	*			trans	-174.7	105.2	148.6	-91.5	-24.8	0	0	0	108
1046	T	28.9	Very low	27.7	Very low	118 Å²	118	147.5 Å²	147.5	72%	0.724	80%	0.803	S	S	*	*				73.9	146.9	88.2	55.7	0	0	0	0	114.8
1047	P	29.1	Very low	27.5	Very low	127 Å²	127	149.2 Å²	149.2	83%	0.825	80%	0.796	S	S	*	*			cis	-112	168.6	14.8	40.6	-32.7	0	0	0	116
1048	V	28.6	Very low	27.2	Very low	127 Å²	127	145.1 Å²	145.1	77%	0.77	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-97.2	133.7	176.4	172.9	0	0	0	0	110.3
1049	L	28.2	Very low	26.9	Very low	174 Å²	174	142 Å²	142	91%	0.911	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-80.2	116	166.7	-121.6	141.1	0	0	0	108.5
1050	R	28.2	Very low	26.5	Very low	229 Å²	229	142.7 Å²	142.7	86%	0.864	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.5	-174.5	-77.4	-174.3	174.7	-177.7	-1.8	112
1051	Q	25.7	Very low	26.4	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-64.7	140.1	163.5	-64.8	159.3	-48.5	0	0	109.9
1052	Y	26.5	Very low	26.1	Very low	238 Å²	238	137.2 Å²	137.2	93%	0.933	73%	0.732	S	S	*	*			trans	-89.7	102.4	153.7	-94.6	-84.9	0	0	0	107.9	S1054	Y1052-S1054 PolarHBondContact O-N 3.07Å
1053	S	26.7	Very low	26.2	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	73%	0.729	S	S	*	*			trans	-83.8	107.1	174.7	53.6	0	0	0	0	110.4
1054	S	27.3	Very low	25.9	Very low	119 Å²	119	132 Å²	132	83%	0.832	72%	0.72	S	S	*	*			trans	-103.9	92.3	157	57.2	0	0	0	0	108.4	Y1052 N1056	Y1052-S1054 PolarHBondContact O-N 3.07Å; S1054-N1056 PolarHBondContact O-N 2.83Å
1055	T	25.3	Very low	25.7	Very low	114 Å²	114	135 Å²	135	70%	0.699	73%	0.729	S	S	*	*			trans	-63.3	124.6	174.6	38	0	0	0	0	111
1056	N	28.3	Very low	25.6	Very low	167 Å²	167	136.4 Å²	136.4	89%	0.893	74%	0.736	S	S	*	*			trans	-118	143	143.2	-92.4	-15.7	0	0	0	107.2	S1054	S1054-N1056 PolarHBondContact O-N 2.83Å
1057	N	25.3	Very low	25.4	Very low	104 Å²	104	138.7 Å²	138.7	56%	0.556	74%	0.739	S	S	*	*			trans	-90.5	152.1	-162.2	-64.4	-33.9	0	0	0	113.2
1058	C	21.3	Very low	25.2	Very low	82 Å²	82	139.8 Å²	139.8	55%	0.554	74%	0.738	S	S	*	*			trans	57	141.7	146.1	-63.4	0	0	0	0	119.9	T1091	C1058-T1091 HydrophobicContact CB-CG2 3.54Å; C1058-T1091 VanDerWaalsContact SG-CG2 3.51Å
1059	T	21	Very low	24.9	Very low	70 Å²	70	141.3 Å²	141.3	43%	0.429	74%	0.737	S	S	.	*			cis	-169	144	-8.1	24.8	0	0	0	0	104.9	T1091 N1092	T1059-T1091 HydrophobicContact CG2-CG2 3.92Å; T1059-N1092 WeakPolarHBondContact CB-OD1 3.5Å; T1059-N1092 HydrophobicContact CG2-CB 4.5Å; T1059-N1092 VanDerWaalsContact OG1-CB 3.3Å; T1059-N1092 WeakPolarHBondContact OG1-CB 3.45Å; T1059-N1092 PolarHBondContact OG1-OD1 2.65Å
1060	F	22.2	Very low	24.7	Very low	152 Å²	152	139.7 Å²	139.7	67%	0.667	73%	0.729	S	S	*	*				70.1	54	64.1	-153.9	-97.8	0	0	0	117.9	L1062 N1092	F1060-L1062 HydrophobicContact CE2-CD1 3.79Å; F1060-L1062 HydrophobicContact CE2-CG 4.18Å; F1060-L1062 HydrophobicContact CZ-CB 4.28Å; F1060-L1062 HydrophobicContact CZ-CD1 3.8Å; F1060-L1062 HydrophobicContact CZ-CG 4.21Å; F1060-N1092 PolarHBondContact O-ND2 3.02Å; F1060-N1092 PolarHBondContact O-OD1 3.09Å
1061	T	21.9	Very low	24.5	Very low	76 Å²	76	135.5 Å²	135.5	47%	0.466	73%	0.728	S	S	.	*			trans	-75.9	114.1	148.4	53	0	0	0	0	116.9	D1093	T1061-D1093 HydrophobicContact CG2-CB 3.98Å; T1061-D1093 WeakPolarHBondContact CG2-OD1 3.49Å; T1061-D1093 WeakPolarHBondContact CG2-OD2 3.38Å; T1061-D1093 WeakPolarHBondContact OG1-CA 3.36Å; T1061-D1093 PolarHBondContact OG1-N 3.3Å
1062	L	21.5	Very low	24.4	Very low	123 Å²	123	137.1 Å²	137.1	64%	0.644	73%	0.728	S	S	*	*			trans	-143.2	110.4	164.1	-83.1	-174.6	0	0	0	112.7	F1060	F1060-L1062 HydrophobicContact CE2-CD1 3.79Å; F1060-L1062 HydrophobicContact CE2-CG 4.18Å; F1060-L1062 HydrophobicContact CZ-CB 4.28Å; F1060-L1062 HydrophobicContact CZ-CD1 3.8Å; F1060-L1062 HydrophobicContact CZ-CG 4.21Å
1063	L	27.2	Very low	24.7	Very low	141 Å²	141	128.3 Å²	128.3	74%	0.738	70%	0.7	S	S	*	*			trans	-148.2	120.7	152.2	-67.7	178.3	0	0	0	104.5
1064	S	23.9	Very low	24.4	Very low	91 Å²	91	128.5 Å²	128.5	64%	0.636	69%	0.69	S	S	*	*			cis	88.3	97.9	46.9	76.7	0	0	0	0	113.3
1065	D	23.8	Very low	24.1	Very low	160 Å²	160	126.6 Å²	126.6	86%	0.856	67%	0.673	S	S	*	*			trans	39.7	116.8	152.7	-51.8	-18.1	0	0	0	121.1
1066	D	26.1	Very low	24.1	Very low	167 Å²	167	125.6 Å²	125.6	89%	0.893	66%	0.663	S	S	*	*				-157.5	155.2	114.1	-133	-23.8	0	0	0	112.5
1067	E	25.6	Very low	23.8	Very low	167 Å²	167	124 Å²	124	78%	0.78	65%	0.654	S	S	*	*			trans	-105.9	125.2	177.8	-69	-167.5	147	0	0	112
1068	N	24.4	Very low	23.7	Very low	149 Å²	149	126.3 Å²	126.3	80%	0.797	67%	0.665	S	S	*	*				175.4	170.4	116.3	-98.9	-74.6	0	0	0	116
1069	E	22.7	Very low	23.8	Very low	160 Å²	160	128 Å²	128	75%	0.748	67%	0.673	S	S	*	*			trans	-47.8	147.8	-166.6	-53.1	-164.8	98.8	0	0	121.5
1070	N	23.2	Very low	23.9	Very low	140 Å²	140	130 Å²	130	75%	0.749	68%	0.681	S	S	*	*			trans	37.1	114.3	136.9	-74.7	-55	0	0	0	120.8
1071	V	23.7	Very low	23.9	Very low	141 Å²	141	130.6 Å²	130.6	86%	0.855	68%	0.683	S	S	*	*				173.7	137	112	149.6	0	0	0	0	112.7
1072	Y	24.9	Very low	24	Very low	216 Å²	216	132 Å²	132	85%	0.847	70%	0.696	S	S	*	*			trans	-62.7	164.2	171.9	-77.5	-97.4	0	0	0	112.8
1073	P	33.2	Very low	24.1	Very low	52 Å²	52	133.2 Å²	133.2	34%	0.338	70%	0.703	S	S	.	*			cis	-159	176.1	36.6	45.3	-23.4	0	0	0	121.4	K1100 L1101	P1073-K1100 WeakPolarHBondContact O-CG 2.87Å; P1073-L1101 HydrophobicContact CG-CD1 4.41Å
1074	Q	20.3	Very low	23.8	Very low	108 Å²	108	132.9 Å²	132.9	51%	0.505	70%	0.702	S	S	.	*			trans	80.9	170.9	142.2	-78.7	150.8	-11.2	0	0	121.9	K1100 L1101 K1102	Q1074-K1100 CarbonylContact O-C 3.58Å; Q1074-K1100 VanDerWaalsContact O-C 3.24Å; Q1074-K1100 VanDerWaalsContact O-CA 3.24Å; Q1074-K1100 WeakPolarHBondContact O-CA 3.32Å; Q1074-L1101 HydrophobicContact CB-CD1 4.45Å; Q1074-K1102 HydrophobicContact CB-CB 4.45Å; Q1074-K1102 HydrophobicContact CB-CG 3.74Å; Q1074-K1102 VanDerWaalsContact CD-CG 3.41Å; Q1074-K1102 HydrophobicContact CG-CG 3.85Å
1075	T	20.9	Very low	23.7	Very low	78 Å²	78	138.3 Å²	138.3	48%	0.479	71%	0.714	S	S	.	*			trans	-108	176.8	-151.6	54.6	0	0	0	0	118.3	K1100 L1101 K1102 K1103	T1075-K1100 CarbonylContact O-C 3.46Å; T1075-L1101 CarbonylContact O-C 3.52Å; T1075-L1101 WeakPolarHBondContact O-CA 3.44Å; T1075-L1101 PolarHBondContact O-N 2.69Å; T1075-K1102 PolarHBondContact O-N 2.97Å; T1075-K1102 VanDerWaalsContact OG1-CA 3.26Å; T1075-K1102 WeakPolarHBondContact OG1-CA 3.26Å; T1075-K1102 PolarHBondContact OG1-N 2.95Å; T1075-K1103 PolarHBondContact OG1-N 3.27Å
1076	N	24.7	Very low	23.6	Very low	94 Å²	94	134.9 Å²	134.9	50%	0.503	70%	0.703	S	S	.	*				162	122.2	127.8	-84.7	4.7	0	0	0	118.7	K1102 K1103	N1076-K1102 PolarHBondContact ND2-O 3.04Å; N1076-K1102 PolarHBondContact OD1-O 2.97Å; N1076-K1102 VanDerWaalsContact OD1-O 3.08Å; N1076-K1103 PolarHBondContact OD1-N 2.82Å
1077	I	22.1	Very low	23.4	Very low	134 Å²	134	134 Å²	134	69%	0.687	70%	0.698	S	S	*	*			trans	39.4	144.8	135.5	-22.6	178.7	0	0	0	122.6
1078	L	23.8	Very low	23.2	Very low	151 Å²	151	132.8 Å²	132.8	79%	0.791	70%	0.697	S	S	*	*			trans	93.7	132.2	160.3	-56.3	177.5	0	0	0	115.7
1079	T	23	Very low	23	Very low	118 Å²	118	132 Å²	132	72%	0.724	69%	0.692	S	S	*	*			cis	-157.3	159.4	-8.8	-8.2	0	0	0	0	112.9
1080	D	22.8	Very low	23	Very low	112 Å²	112	128.3 Å²	128.3	60%	0.599	68%	0.677	S	S	*	*			trans	44.4	112.2	145.8	-97.4	0.1	0	0	0	123.4
1081	K	22.6	Very low	23	Very low	165 Å²	165	126.1 Å²	126.1	72%	0.717	67%	0.669	S	S	*	*				75.1	156.5	123.7	-68.1	173.2	-176.6	117.7	0	122.2
1082	S	23.6	Very low	23	Very low	105 Å²	105	122.4 Å²	122.4	73%	0.734	65%	0.645	S	S	*	*			trans	91.1	74.2	155.5	-50.3	0	0	0	0	119.3
1083	L	23.3	Very low	22.9	Very low	149 Å²	149	117.2 Å²	117.2	78%	0.78	63%	0.631	S	S	*	*				50.1	117.7	122.7	-63.8	166.1	0	0	0	120.7
1084	N	20.4	Very low	22.3	Very low	134 Å²	134	118 Å²	118	72%	0.717	65%	0.648	S	S	*	*				52.7	105.1	129.3	-52.9	2.2	0	0	0	120.3
1085	F	22	Very low	22.3	Very low	204 Å²	204	115.8 Å²	115.8	90%	0.895	66%	0.655	S	S	*	*				-157.6	117	117.7	-94.8	-80.8	0	0	0	104.5
1086	S	22.1	Very low	22.4	Very low	89 Å²	89	121 Å²	121	62%	0.622	67%	0.674	S	S	*	*				82.2	128.1	78.7	-70	0	0	0	0	114
1087	D	23	Very low	22.7	Very low	147 Å²	147	122.1 Å²	122.1	79%	0.786	69%	0.686	S	S	*	*			trans	65.4	122.6	150.4	-49	-18	0	0	0	120.5
1088	D	20.5	Very low	22.7	Very low	143 Å²	143	119.1 Å²	119.1	77%	0.765	69%	0.689	S	S	*	*			trans	60.8	110.2	144.3	-74.4	-3.8	0	0	0	122.6
1089	L	21.4	Very low	22.5	Very low	132 Å²	132	117.5 Å²	117.5	69%	0.691	69%	0.685	S	S	*	*				88.1	138.8	127.1	-69.8	171.2	0	0	0	120.6
1090	N	21.8	Very low	22.4	Very low	83 Å²	83	118.4 Å²	118.4	44%	0.444	68%	0.678	S	S	.	*			trans	70.8	135.5	152.8	-64.8	-32.4	0	0	0	118.6
1091	T	22.4	Very low	22.3	Very low	94 Å²	94	117.6 Å²	117.6	58%	0.577	67%	0.674	S	S	*	*			trans	55.9	137.3	141.9	56.1	0	0	0	0	119.2	C1058 T1059	C1058-T1091 HydrophobicContact CB-CG2 3.54Å; C1058-T1091 VanDerWaalsContact SG-CG2 3.51Å; T1059-T1091 HydrophobicContact CG2-CG2 3.92Å
1092	N	23.5	Very low	22.3	Very low	63 Å²	63	114.6 Å²	114.6	34%	0.337	66%	0.661	S	S	.	*			cis	176	177.3	-8	-172	41.9	0	0	0	104.4	T1059 F1060	T1059-N1092 WeakPolarHBondContact CB-OD1 3.5Å; T1059-N1092 HydrophobicContact CG2-CB 4.5Å; T1059-N1092 VanDerWaalsContact OG1-CB 3.3Å; T1059-N1092 WeakPolarHBondContact OG1-CB 3.45Å; T1059-N1092 PolarHBondContact OG1-OD1 2.65Å; F1060-N1092 PolarHBondContact O-ND2 3.02Å; F1060-N1092 PolarHBondContact O-OD1 3.09Å
1093	D	23.3	Very low	22.3	Very low	107 Å²	107	115.6 Å²	115.6	57%	0.572	65%	0.652	S	S	*	*			trans	68.5	176.9	149.6	-131.3	-47.2	0	0	0	117	T1061	T1061-D1093 HydrophobicContact CG2-CB 3.98Å; T1061-D1093 WeakPolarHBondContact CG2-OD1 3.49Å; T1061-D1093 WeakPolarHBondContact CG2-OD2 3.38Å; T1061-D1093 WeakPolarHBondContact OG1-CA 3.36Å; T1061-D1093 PolarHBondContact OG1-N 3.3Å
1094	G	21.6	Very low	22.2	Very low	67 Å²	67	113.6 Å²	113.6	69%	0.691	65%	0.645	S	S	*	*			trans	91.4	82.4	172.1	0	0	0	0	0	114.8
1095	G	20.1	Very low	22.3	Very low	62 Å²	62	113.7 Å²	113.7	64%	0.639	64%	0.642	S	S	*	*			trans	-78.4	-170.3	-178	0	0	0	0	0	117.8
1096	E	23.5	Very low	22.3	Very low	188 Å²	188	108 Å²	108	88%	0.879	63%	0.628	S	S	*	*			trans	79.1	154.5	145.3	-69.2	-116.7	93.3	0	0	120.1
1097	P	29.9	Very low	22.2	Very low	117 Å²	117	110.1 Å²	110.1	76%	0.76	63%	0.632	S	S	*	*			trans	-120.5	163.3	-133.3	41.5	-33.3	0	0	0	117.8
1098	G	21.8	Very low	22.3	Very low	72 Å²	72	115 Å²	115	74%	0.742	64%	0.639	S	S	*	*			trans	-162.6	79.6	-177.4	0	0	0	0	0	120.6
1099	V	21.1	Very low	22.3	Very low	117 Å²	117	112.7 Å²	112.7	71%	0.709	63%	0.634	S	S	*	*				55.5	105.7	124	-175.8	0	0	0	0	123.8
1100	K	19.8	Very low	22.5	Very low	136 Å²	136	113.1 Å²	113.1	59%	0.591	64%	0.637	S	S	*	*			trans	64.8	-176.4	136.5	-45.6	169.9	-169.7	148.5	0	119	P1073 Q1074 T1075	P1073-K1100 WeakPolarHBondContact O-CG 2.87Å; Q1074-K1100 CarbonylContact O-C 3.58Å; Q1074-K1100 VanDerWaalsContact O-C 3.24Å; Q1074-K1100 VanDerWaalsContact O-CA 3.24Å; Q1074-K1100 WeakPolarHBondContact O-CA 3.32Å; T1075-K1100 CarbonylContact O-C 3.46Å
1101	L	21.5	Very low	22.7	Very low	95 Å²	95	114.3 Å²	114.3	50%	0.497	65%	0.649	S	S	.	*			cis	-159.7	84	-4.4	-164.3	68.9	0	0	0	118.7	P1073 Q1074 T1075	P1073-L1101 HydrophobicContact CG-CD1 4.41Å; Q1074-L1101 HydrophobicContact CB-CD1 4.45Å; T1075-L1101 CarbonylContact O-C 3.52Å; T1075-L1101 WeakPolarHBondContact O-CA 3.44Å; T1075-L1101 PolarHBondContact O-N 2.69Å
1102	K	22.6	Very low	22.8	Very low	103 Å²	103	118.5 Å²	118.5	45%	0.448	66%	0.659	S	S	.	*			trans	102.6	122.5	145.1	-68.2	171.8	179.3	172	0	126	Q1074 T1075 N1076	Q1074-K1102 HydrophobicContact CB-CB 4.45Å; Q1074-K1102 HydrophobicContact CB-CG 3.74Å; Q1074-K1102 VanDerWaalsContact CD-CG 3.41Å; Q1074-K1102 HydrophobicContact CG-CG 3.85Å; T1075-K1102 PolarHBondContact O-N 2.97Å; T1075-K1102 VanDerWaalsContact OG1-CA 3.26Å; T1075-K1102 WeakPolarHBondContact OG1-CA 3.26Å; T1075-K1102 PolarHBondContact OG1-N 2.95Å; N1076-K1102 PolarHBondContact ND2-O 3.04Å; N1076-K1102 PolarHBondContact OD1-O 2.97Å; N1076-K1102 VanDerWaalsContact OD1-O 3.08Å
1103	K	22.1	Very low	22.7	Very low	125 Å²	125	120.7 Å²	120.7	54%	0.543	68%	0.675	S	S	.	*				80.4	150.9	129.2	-162.6	-176.6	171.5	-72	0	117.1	T1075 N1076 E1105	T1075-K1103 PolarHBondContact OG1-N 3.27Å; N1076-K1103 PolarHBondContact OD1-N 2.82Å; K1103-E1105 IonicContact NZ-OE1 3.98Å; K1103-E1105 PolarHBondContact NZ-OE1 3.26Å; K1103-E1105 IonicContact NZ-OE2 2.67Å; K1103-E1105 PolarHBondContact NZ-OE2 3.47Å
1104	V	22	Very low	22.6	Very low	107 Å²	107	121.6 Å²	121.6	65%	0.648	68%	0.684	S	S	*	*				169.5	138.4	94.9	154.7	0	0	0	0	113.5
1105	E	22.3	Very low	22.6	Very low	136 Å²	136	124.1 Å²	124.1	64%	0.636	69%	0.686	S	S	*	*			trans	33.2	165.8	147.1	-78.3	88.6	-79	0	0	125	K1103	K1103-E1105 IonicContact NZ-OE1 3.98Å; K1103-E1105 PolarHBondContact NZ-OE1 3.26Å; K1103-E1105 IonicContact NZ-OE2 2.67Å; K1103-E1105 PolarHBondContact NZ-OE2 3.47Å
1106	S	21.8	Very low	22.7	Very low	86 Å²	86	127.2 Å²	127.2	60%	0.601	69%	0.693	S	S	*	*			cis	-166.2	178	-12.7	49.5	0	0	0	0	114
1107	D	20.6	Very low	22.5	Very low	133 Å²	133	125 Å²	125	71%	0.711	69%	0.687	S	S	*	*			trans	71.5	142.7	158.6	-48.4	-48.4	0	0	0	119
1108	W	25	Very low	22.2	Very low	250 Å²	250	127.4 Å²	127.4	95%	0.947	69%	0.692	S	S	*	*			cis	-129.8	-179.6	28.3	-85.3	67.6	0	0	0	114.8
1109	S	21	Very low	22.3	Very low	94 Å²	94	130.7 Å²	130.7	66%	0.657	69%	0.692	S	S	*	*			trans	-155.1	158.5	-164.5	64.9	0	0	0	0	118.8
1110	L	24.4	Very low	22.4	Very low	141 Å²	141	129.9 Å²	129.9	74%	0.738	69%	0.692	S	S	*	*			trans	67.1	170.1	150.7	-74.7	166.1	0	0	0	119.4	F1112	L1110-F1112 HydrophobicContact CD2-CD2 4.32Å; L1110-F1112 HydrophobicContact CD2-CE2 4.35Å
1111	P	27.4	Very low	22.5	Very low	108 Å²	108	130.6 Å²	130.6	70%	0.701	70%	0.702	S	S	*	*			cis	-134	157	-8.3	34.9	-16.4	0	0	0	118.1
1112	F	22.5	Very low	22.7	Very low	181 Å²	181	132.8 Å²	132.8	79%	0.794	72%	0.72	S	S	*	*			trans	45.8	164.3	136.6	-75.9	-146.8	0	0	0	121.7	L1110	L1110-F1112 HydrophobicContact CD2-CD2 4.32Å; L1110-F1112 HydrophobicContact CD2-CE2 4.35Å
1113	T	22.7	Very low	22.9	Very low	110 Å²	110	135.7 Å²	135.7	68%	0.675	74%	0.74	S	S	*	*			cis	-156.5	140.4	7.1	0.8	0	0	0	0	106.8
1114	V	21	Very low	23.2	Very low	125 Å²	125	134.5 Å²	134.5	76%	0.758	75%	0.753	S	S	*	*				65.7	131.3	62.1	165.6	0	0	0	0	112.5
1115	V	21.8	Very low	23.7	Very low	121 Å²	121	136.3 Å²	136.3	73%	0.733	76%	0.759	S	S	*	*			cis	-102.7	-128.8	21.3	-147	0	0	0	0	114.5
1116	T	21.7	Very low	24.8	Very low	127 Å²	127	135 Å²	135	78%	0.779	77%	0.765	S	S	*	*			cis	-158.4	172.6	5.3	-30.8	0	0	0	0	111.1
1117	D	20.1	Very low	26.4	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	77%	0.772	S	S	*	*			trans	-112.2	159.6	-171.2	-42.5	-85.8	0	0	0	116.4
1118	I	23.7	Very low	28.6	Very low	169 Å²	169	137.2 Å²	137.2	87%	0.867	76%	0.761	S	S	*	*				174.3	156	125.6	-90.3	163.4	0	0	0	113.2
1119	N	23.1	Very low	31	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	73%	0.728	S	S	*	*			trans	-46.5	149.7	-173.1	-60.9	-23.6	0	0	0	120.4
1120	S	22.7	Very low	33.9	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	73%	0.726	S	S	*	*			trans	61.2	122.6	137.5	63.8	0	0	0	0	121.6
1121	N	22.2	Very low	36.6	Very low	152 Å²	152	123.8 Å²	123.8	81%	0.813	69%	0.692	S	S	*	*			trans	72.2	149.4	162.9	-60.8	-0.5	0	0	0	117.5
1122	T	25.7	Very low	39.2	Very low	141 Å²	141	126.6 Å²	126.6	87%	0.865	69%	0.693	S	S	*	*	S	Bend	trans	69.7	148.7	-177.1	63.7	0	0	0	0	116.7
1123	D	26.2	Very low	41.9	Very low	164 Å²	164	118.9 Å²	118.9	88%	0.877	66%	0.661	S	S	*	*			trans	-89.9	135.6	-153.7	-44.1	-86.3	0	0	0	114.1
1124	A	29.4	Very low	44.6	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	67%	0.669	S	S	*	*			trans	-167.5	148.3	153.9	0	0	0	0	0	114.6
1125	D	31.7	Very low	47.1	Very low	145 Å²	145	118.5 Å²	118.5	78%	0.775	64%	0.636	S	S	*	*			trans	66.9	100.1	150.6	-148.8	9.3	0	0	0	119.8	H1127	D1125-H1127 PolarHBondContact O-N 2.85Å
1126	S	45.9	Very low	49.6	Very low	109 Å²	109	117.2 Å²	117.2	76%	0.762	63%	0.628	S	S	*	*			trans	-93.3	15.7	-167.1	62.1	0	0	0	0	115.7
1127	H	54.9	Low	52.4	Low	161 Å²	161	111.2 Å²	111.2	75%	0.745	59%	0.592	S	S	*	*			trans	-110.2	24.4	-162.3	-77.4	10.4	0	0	0	116.8	D1125	D1125-H1127 PolarHBondContact O-N 2.85Å
1128	Q	67	Low	55.3	Low	104 Å²	104	111.4 Å²	111.4	49%	0.486	59%	0.588	S	S	.	*			trans	-80.2	129.1	172.2	-67.5	-150.9	30.6	0	0	113.7
1129	P	75.9	Confident	57.6	Low	39 Å²	39	106.8 Å²	106.8	25%	0.253	58%	0.575	S	S	.	*			trans	-74.7	139.1	-177.1	28.5	-32.9	0	0	0	112.8	C1143 S1146	P1129-C1143 PolarHBondContact O-SG 3.34Å; P1129-S1146 WeakPolarHBondContact CG-OG 3.48Å
1130	R	81.3	Confident	60.1	Low	162 Å²	162	112.1 Å²	112.1	61%	0.611	59%	0.585	S	S	*	*			trans	-123.1	129	-176.1	-55.5	-168.2	-172.9	-163.8	3.5	112.3	S1142 C1143 H1154	R1130-S1142 PolarHBondContact O-OG 2.9Å; R1130-C1143 VanDerWaalsContact CA-SG 3.57Å; R1130-H1154 VanDerWaalsContact CB-O 3.22Å; R1130-H1154 WeakPolarHBondContact CB-O 3.42Å; R1130-H1154 WeakPolarHBondContact CD-O 3.27Å; R1130-H1154 WeakPolarHBondContact CG-O 3.34Å
1131	C	81.6	Confident	63	Low	3 Å²	3	107.5 Å²	107.5	2%	0.02	55%	0.552	C	S	.	*			trans	-112.4	139.3	-174.8	89.8	0	0	0	0	112.8	C1133 C1141 S1142 C1143 C1150 C1155 H1156 C1157	C1131-C1133 PolarHBondContact SG-SG 3.09Å; C1131-C1141 VanDerWaalsContact CB-SG 3.52Å; C1131-S1142 WeakPolarHBondContact CA-OG 3.37Å; C1131-C1143 HydrophobicContact CB-CB 4.13Å; C1131-C1143 WeakPolarHBondContact CB-SG 3.3Å; C1131-C1143 PolarHBondContact N-SG 2.95Å; C1131-C1150 WeakPolarHBondContact CB-SG 3.31Å; C1131-C1150 WeakPolarHBondContact SG-CB 3.49Å; C1131-C1150 CovalentContact SG-SG 2.07Å; C1131-C1150 PolarHBondContact SG-SG 3.12Å; C1131-C1155 HydrophobicContact CB-CB 4.11Å; C1131-C1155 CarbonylContact O-C 3.6Å; C1131-C1155 VanDerWaalsContact O-C 3.24Å; C1131-C1155 VanDerWaalsContact SG-CB 3.54Å; C1131-H1156 CarbonylContact O-C 3.24Å; C1131-H1156 VanDerWaalsContact O-C 3.31Å; C1131-H1156 PolarHBondContact O-N 3.22Å; C1131-C1157 PolarHBondContact O-N 3.4Å; C1131-C1157 VanDerWaalsContact O-N 3.17Å; C1131-C1157 VanDerWaalsContact SG-CB 3.57Å
1132	K	83.1	Confident	65.9	Low	167 Å²	167	102.2 Å²	102.2	73%	0.726	53%	0.528	S	S	*	.			trans	-109.4	28.8	170.7	-64.7	-179.9	179.5	171.1	0	112.5	R1134 H1156	K1132-R1134 PolarHBondContact O-N 3.3Å; K1132-H1156 HydrophobicContact CG-CB 4.45Å
1133	C	77.7	Confident	68.8	Low	19 Å²	19	95.6 Å²	95.6	13%	0.128	49%	0.487	C	S	.	.			trans	-69.6	128.1	-171.9	52.4	0	0	0	0	113.2	C1131 G1135 C1137 C1141 C1157	C1131-C1133 PolarHBondContact SG-SG 3.09Å; C1133-G1135 PolarHBondContact O-N 2.83Å; C1133-C1137 HydrophobicContact CB-CB 3.98Å; C1133-C1137 WeakPolarHBondContact CB-SG 3.43Å; C1133-C1137 WeakPolarHBondContact SG-CB 3.43Å; C1133-C1137 CovalentContact SG-SG 2.05Å; C1133-C1137 PolarHBondContact SG-SG 3.35Å; C1133-C1141 HydrophobicContact CB-CB 4.48Å; C1133-C1141 VanDerWaalsContact SG-SG 3.68Å; C1133-C1157 WeakPolarHBondContact O-CA 3.49Å; C1133-C1157 WeakPolarHBondContact O-CB 3.22Å
1134	R	79.6	Confident	71.5	Confident	221 Å²	221	92.2 Å²	92.2	83%	0.834	46%	0.464	S	S	*	.			trans	-74.5	64	169.9	-63.8	-171.9	-177.4	-163.1	2.3	111	K1132 T1136	K1132-R1134 PolarHBondContact O-N 3.3Å; R1134-T1136 PolarHBondContact O-N 2.95Å; R1134-T1136 VanDerWaalsContact O-N 3.07Å
1135	G	73.6	Confident	73.9	Confident	6 Å²	6	97.2 Å²	97.2	6%	0.062	46%	0.462	C	S	.	.	S	Bend	trans	86.2	-54.4	169.8	0	0	0	0	0	117.2	C1133 C1137 L1161 K1163	C1133-G1135 PolarHBondContact O-N 2.83Å; G1135-C1137 VanDerWaalsContact C-N 3.32Å; G1135-C1137 PolarHBondContact O-N 3.2Å; G1135-C1137 PolarHBondContact O-SG 2.8Å; G1135-L1161 CarbonylContact C-O 3.56Å; G1135-L1161 VanDerWaalsContact CA-C 3.46Å; G1135-L1161 WeakPolarHBondContact CA-O 3.48Å; G1135-K1163 PolarHBondContact O-N 3.05Å
1136	T	74.3	Confident	76.3	Confident	94 Å²	94	93 Å²	93	58%	0.577	44%	0.444	S	S	*	.			trans	-66.4	-29.3	-169.2	57.5	0	0	0	0	114.7	R1134 Q1138	R1134-T1136 PolarHBondContact O-N 2.95Å; R1134-T1136 VanDerWaalsContact O-N 3.07Å; T1136-Q1138 PolarHBondContact O-N 3.27Å
1137	C	81.5	Confident	77.8	Confident	1 Å²	1	91 Å²	91	1%	0.007	44%	0.44	C	S	.	.			trans	38.7	71.4	174	-51	0	0	0	0	113	C1133 G1135 C1141 K1144 C1162 N1164	C1133-C1137 HydrophobicContact CB-CB 3.98Å; C1133-C1137 WeakPolarHBondContact CB-SG 3.43Å; C1133-C1137 WeakPolarHBondContact SG-CB 3.43Å; C1133-C1137 CovalentContact SG-SG 2.05Å; C1133-C1137 PolarHBondContact SG-SG 3.35Å; G1135-C1137 VanDerWaalsContact C-N 3.32Å; G1135-C1137 PolarHBondContact O-N 3.2Å; G1135-C1137 PolarHBondContact O-SG 2.8Å; C1137-C1141 HydrophobicContact CB-CB 4.14Å; C1137-K1144 WeakPolarHBondContact O-CD 3.34Å; C1137-K1144 PolarHBondContact O-NZ 3.27Å; C1137-C1162 PolarHBondContact SG-SG 3.43Å; C1137-N1164 HydrophobicContact CB-CB 4.01Å
1138	Q	79.6	Confident	79.2	Confident	143 Å²	143	90 Å²	90	67%	0.668	43%	0.43	S	S	*	.			trans	-108.5	-147.5	177.8	-61.3	-179.7	-17.1	0	0	110.5	T1136 R1140 C1141	T1136-Q1138 PolarHBondContact O-N 3.27Å; Q1138-R1140 PolarHBondContact O-N 3.5Å; Q1138-C1141 VanDerWaalsContact O-CB 3.28Å; Q1138-C1141 WeakPolarHBondContact O-CB 3.26Å; Q1138-C1141 PolarHBondContact O-N 3.21Å
1139	A	72	Confident	79.8	Confident	73 Å²	73	88 Å²	88	60%	0.603	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-17.3	-171.2	0	0	0	0	0	116.9	R1145	A1139-R1145 PolarHBondContact O-NE 3.49Å; A1139-R1145 PolarHBondContact O-NH2 3.35Å
1140	R	76.5	Confident	80.2	Confident	251 Å²	251	86.2 Å²	86.2	95%	0.947	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-4	171.9	-69.7	-169.9	-179.2	-169.3	0.9	114.1	Q1138	Q1138-R1140 PolarHBondContact O-N 3.5Å
1141	C	83.7	Confident	80.2	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.02	40%	0.402	C	S	.	.			trans	-86.1	112.8	179.7	-177.7	0	0	0	0	111.3	C1131 C1133 C1137 Q1138 K1144 R1145	C1131-C1141 VanDerWaalsContact CB-SG 3.52Å; C1133-C1141 HydrophobicContact CB-CB 4.48Å; C1133-C1141 VanDerWaalsContact SG-SG 3.68Å; C1137-C1141 HydrophobicContact CB-CB 4.14Å; Q1138-C1141 VanDerWaalsContact O-CB 3.28Å; Q1138-C1141 WeakPolarHBondContact O-CB 3.26Å; Q1138-C1141 PolarHBondContact O-N 3.21Å; C1141-K1144 HydrophobicContact CB-CB 3.91Å; C1141-K1144 PolarHBondContact O-N 3.09Å; C1141-R1145 PolarHBondContact O-N 3.4Å
1142	S	82.6	Confident	80	Confident	42 Å²	42	85.8 Å²	85.8	29%	0.294	43%	0.431	S	S	.	.	H	α-helix	trans	-56.6	-60.5	173.4	46	0	0	0	0	113	R1130 C1131 K1144 R1145 S1146	R1130-S1142 PolarHBondContact O-OG 2.9Å; C1131-S1142 WeakPolarHBondContact CA-OG 3.37Å; S1142-K1144 PolarHBondContact O-N 2.86Å; S1142-R1145 PolarHBondContact O-N 3.24Å; S1142-S1146 PolarHBondContact O-N 3.18Å; S1142-S1146 PolarHBondContact O-OG 3.15Å
1143	C	87.3	Confident	79.6	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.007	43%	0.429	C	S	.	.	H	α-helix	trans	-53.8	-35.5	-177.6	-42.7	0	0	0	0	110.6	P1129 R1130 C1131 S1146 G1147 R1148 C1150 C1155	P1129-C1143 PolarHBondContact O-SG 3.34Å; R1130-C1143 VanDerWaalsContact CA-SG 3.57Å; C1131-C1143 HydrophobicContact CB-CB 4.13Å; C1131-C1143 WeakPolarHBondContact CB-SG 3.3Å; C1131-C1143 PolarHBondContact N-SG 2.95Å; C1143-S1146 VanDerWaalsContact C-OG 3.28Å; C1143-S1146 WeakPolarHBondContact CA-OG 3.32Å; C1143-S1146 CarbonylContact O-C 3.59Å; C1143-S1146 PolarHBondContact O-OG 2.8Å; C1143-G1147 PolarHBondContact O-N 3.12Å; C1143-R1148 CarbonylContact C-O 3.27Å; C1143-R1148 VanDerWaalsContact C-O 3.27Å; C1143-R1148 CarbonylContact O-C 3.56Å; C1143-R1148 PolarHBondContact O-N 3.45Å; C1143-C1150 HydrophobicContact CB-CB 4.35Å; C1143-C1150 VanDerWaalsContact CB-SG 3.53Å; C1143-C1155 WeakPolarHBondContact CB-SG 3.22Å; C1143-C1155 WeakPolarHBondContact SG-CB 3.42Å; C1143-C1155 CovalentContact SG-SG 2.1Å; C1143-C1155 PolarHBondContact SG-SG 2.96Å
1144	K	81.8	Confident	79.5	Confident	94 Å²	94	84.3 Å²	84.3	41%	0.409	44%	0.436	S	S	.	.	H	α-helix	trans	-78.7	-34.3	174.7	-166.8	175.9	-175.5	164.6	0	115.5	C1137 C1141 S1142 S1146 G1147 N1164	C1137-K1144 WeakPolarHBondContact O-CD 3.34Å; C1137-K1144 PolarHBondContact O-NZ 3.27Å; C1141-K1144 HydrophobicContact CB-CB 3.91Å; C1141-K1144 PolarHBondContact O-N 3.09Å; S1142-K1144 PolarHBondContact O-N 2.86Å; K1144-S1146 PolarHBondContact O-N 3.11Å; K1144-G1147 PolarHBondContact O-N 2.91Å; K1144-N1164 WeakPolarHBondContact CG-OD1 3.32Å
1145	R	80.2	Confident	79.6	Confident	203 Å²	203	73.9 Å²	73.9	77%	0.766	40%	0.397	S	S	*	.	H	α-helix	trans	-58	-36.5	169.6	-83.9	-171.3	178.6	-154.5	-2.8	110.9	A1139 C1141 S1142 G1147	A1139-R1145 PolarHBondContact O-NE 3.49Å; A1139-R1145 PolarHBondContact O-NH2 3.35Å; C1141-R1145 PolarHBondContact O-N 3.4Å; S1142-R1145 PolarHBondContact O-N 3.24Å; R1145-G1147 VanDerWaalsContact C-N 3.26Å; R1145-G1147 PolarHBondContact O-N 3.11Å
1146	S	82.2	Confident	79.9	Confident	56 Å²	56	80.1 Å²	80.1	39%	0.392	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	9	171.8	51	0	0	0	0	114.8	P1129 S1142 C1143 K1144 R1148	P1129-S1146 WeakPolarHBondContact CG-OG 3.48Å; S1142-S1146 PolarHBondContact O-N 3.18Å; S1142-S1146 PolarHBondContact O-OG 3.15Å; C1143-S1146 VanDerWaalsContact C-OG 3.28Å; C1143-S1146 WeakPolarHBondContact CA-OG 3.32Å; C1143-S1146 CarbonylContact O-C 3.59Å; C1143-S1146 PolarHBondContact O-OG 2.8Å; K1144-S1146 PolarHBondContact O-N 3.11Å; S1146-R1148 PolarHBondContact O-N 3.2Å; S1146-R1148 VanDerWaalsContact O-N 3.09Å
1147	G	78.1	Confident	80.2	Confident	67 Å²	67	75.8 Å²	75.8	69%	0.691	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	7.1	178.4	0	0	0	0	0	116.4	C1143 K1144 R1145	C1143-G1147 PolarHBondContact O-N 3.12Å; K1144-G1147 PolarHBondContact O-N 2.91Å; R1145-G1147 VanDerWaalsContact C-N 3.26Å; R1145-G1147 PolarHBondContact O-N 3.11Å
1148	R	83.1	Confident	79.9	Confident	142 Å²	142	79.1 Å²	79.1	54%	0.536	42%	0.418	S	S	.	.			trans	-96.2	148.8	-177.6	-66.5	-170.6	179.8	-156.2	0.2	111.7	C1143 S1146 N1164	C1143-R1148 CarbonylContact C-O 3.27Å; C1143-R1148 VanDerWaalsContact C-O 3.27Å; C1143-R1148 CarbonylContact O-C 3.56Å; C1143-R1148 PolarHBondContact O-N 3.45Å; S1146-R1148 PolarHBondContact O-N 3.2Å; S1146-R1148 VanDerWaalsContact O-N 3.09Å; R1148-N1164 PolarHBondContact O-ND2 3.26Å
1149	P	80.5	Confident	79.3	Confident	62 Å²	62	78.5 Å²	78.5	40%	0.403	42%	0.418	S	S	.	.			trans	-62.8	148.6	168.9	27.5	-33.8	0	0	0	110.9	V1151 N1164	P1149-V1151 PolarHBondContact O-N 2.86Å; P1149-N1164 CarbonylContact C-O 3.4Å; P1149-N1164 WeakPolarHBondContact CA-O 3.32Å; P1149-N1164 WeakPolarHBondContact CB-O 3.36Å
1150	C	84.5	Confident	79.2	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	43%	0.433	C	S	.	.			trans	-78.4	89	173.6	-73.4	0	0	0	0	109.1	C1131 C1143 C1155 C1157 N1164 R1165	C1131-C1150 WeakPolarHBondContact CB-SG 3.31Å; C1131-C1150 WeakPolarHBondContact SG-CB 3.49Å; C1131-C1150 CovalentContact SG-SG 2.07Å; C1131-C1150 PolarHBondContact SG-SG 3.12Å; C1143-C1150 HydrophobicContact CB-CB 4.35Å; C1143-C1150 VanDerWaalsContact CB-SG 3.53Å; C1150-C1155 VanDerWaalsContact CA-SG 3.56Å; C1150-C1155 HydrophobicContact CB-CB 3.51Å; C1150-C1157 WeakPolarHBondContact CB-SG 3.38Å; C1150-N1164 HydrophobicContact CB-CB 4.42Å; C1150-N1164 PolarHBondContact N-ND2 2.91Å; C1150-N1164 VanDerWaalsContact N-ND2 3.14Å; C1150-N1164 PolarHBondContact N-O 3.16Å; C1150-R1165 WeakPolarHBondContact O-CG 3.49Å; C1150-R1165 PolarHBondContact O-NH1 3.42Å
1151	V	80.7	Confident	79.2	Confident	58 Å²	58	72.5 Å²	72.5	35%	0.352	42%	0.415	S	S	.	.			trans	-66.4	148.9	-178.5	-84.2	0	0	0	0	113.4	P1149 S1153 H1154 C1155	P1149-V1151 PolarHBondContact O-N 2.86Å; V1151-S1153 VanDerWaalsContact C-N 3.34Å; V1151-S1153 PolarHBondContact O-N 3.34Å; V1151-H1154 HydrophobicContact CG2-CB 4.05Å; V1151-H1154 PolarHBondContact O-N 3Å; V1151-C1155 PolarHBondContact O-N 2.92Å
1152	P	77.1	Confident	79.2	Confident	98 Å²	98	72.8 Å²	72.8	64%	0.636	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-39.1	-175.2	-19.5	30	0	0	0	114.3	H1154 R1165	P1152-H1154 PolarHBondContact O-N 3.43Å; P1152-R1165 VanDerWaalsContact CA-NH1 3.28Å; P1152-R1165 VanDerWaalsContact N-NH1 3.14Å
1153	S	74.2	Confident	78.9	Confident	96 Å²	96	79.1 Å²	79.1	67%	0.671	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.1	-175.4	41.2	0	0	0	0	114.8	V1151	V1151-S1153 VanDerWaalsContact C-N 3.34Å; V1151-S1153 PolarHBondContact O-N 3.34Å
1154	H	76.9	Confident	78.7	Confident	59 Å²	59	80.1 Å²	80.1	27%	0.273	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-28.1	-171.2	-61.5	79.9	0	0	0	114.6	R1130 V1151 P1152	R1130-H1154 VanDerWaalsContact CB-O 3.22Å; R1130-H1154 WeakPolarHBondContact CB-O 3.42Å; R1130-H1154 WeakPolarHBondContact CD-O 3.27Å; R1130-H1154 WeakPolarHBondContact CG-O 3.34Å; V1151-H1154 HydrophobicContact CG2-CB 4.05Å; V1151-H1154 PolarHBondContact O-N 3Å; P1152-H1154 PolarHBondContact O-N 3.43Å
1155	C	82.4	Confident	78.8	Confident	3 Å²	3	78.1 Å²	78.1	2%	0.02	44%	0.435	C	S	.	.			trans	-113.3	103.9	-177	-52.3	0	0	0	0	109.9	C1131 C1143 C1150 V1151 C1157 R1165	C1131-C1155 HydrophobicContact CB-CB 4.11Å; C1131-C1155 CarbonylContact O-C 3.6Å; C1131-C1155 VanDerWaalsContact O-C 3.24Å; C1131-C1155 VanDerWaalsContact SG-CB 3.54Å; C1143-C1155 WeakPolarHBondContact CB-SG 3.22Å; C1143-C1155 WeakPolarHBondContact SG-CB 3.42Å; C1143-C1155 CovalentContact SG-SG 2.1Å; C1143-C1155 PolarHBondContact SG-SG 2.96Å; C1150-C1155 VanDerWaalsContact CA-SG 3.56Å; C1150-C1155 HydrophobicContact CB-CB 3.51Å; V1151-C1155 PolarHBondContact O-N 2.92Å; C1155-C1157 PolarHBondContact O-N 2.94Å; C1155-C1157 PolarHBondContact O-SG 3.2Å; C1155-R1165 PolarHBondContact O-NH2 3.01Å
1156	H	78.9	Confident	78	Confident	136 Å²	136	72.7 Å²	72.7	63%	0.63	43%	0.428	S	S	*	.			trans	-68.8	38.7	177.1	-52.9	-83.3	0	0	0	114.9	C1131 K1132	C1131-H1156 CarbonylContact O-C 3.24Å; C1131-H1156 VanDerWaalsContact O-C 3.31Å; C1131-H1156 PolarHBondContact O-N 3.22Å; K1132-H1156 HydrophobicContact CG-CB 4.45Å
1157	C	80.4	Confident	76.2	Confident	4 Å²	4	77.9 Å²	77.9	3%	0.027	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-74.9	142.5	168.1	54.4	0	0	0	0	110.7	C1131 C1133 C1150 C1155 L1159 C1162 R1165	C1131-C1157 PolarHBondContact O-N 3.4Å; C1131-C1157 VanDerWaalsContact O-N 3.17Å; C1131-C1157 VanDerWaalsContact SG-CB 3.57Å; C1133-C1157 WeakPolarHBondContact O-CA 3.49Å; C1133-C1157 WeakPolarHBondContact O-CB 3.22Å; C1150-C1157 WeakPolarHBondContact CB-SG 3.38Å; C1155-C1157 PolarHBondContact O-N 2.94Å; C1155-C1157 PolarHBondContact O-SG 3.2Å; C1157-L1159 PolarHBondContact O-N 3.04Å; C1157-C1162 HydrophobicContact CB-CB 3.96Å; C1157-C1162 PolarHBondContact SG-SG 2.96Å; C1157-R1165 PolarHBondContact O-NH2 3.16Å; C1157-R1165 VanDerWaalsContact O-NH2 3.12Å; C1157-R1165 VanDerWaalsContact SG-CZ 3.57Å; C1157-R1165 PolarHBondContact SG-NH2 3.22Å
1158	V	75.1	Confident	74	Confident	71 Å²	71	79.7 Å²	79.7	43%	0.43	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-55.8	126.2	-175.9	-172.4	0	0	0	0	110.4	L1161 C1162	V1158-L1161 HydrophobicContact CB-CB 4.33Å; V1158-L1161 HydrophobicContact CB-CD1 4.24Å; V1158-L1161 HydrophobicContact CG1-CB 4.49Å; V1158-L1161 HydrophobicContact CG1-CD1 3.93Å; V1158-L1161 HydrophobicContact CG1-CG 4.31Å; V1158-L1161 PolarHBondContact O-N 3.44Å; V1158-C1162 PolarHBondContact O-N 3.35Å
1159	L	66.6	Low	71.3	Confident	129 Å²	129	78.9 Å²	78.9	68%	0.675	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	145.9	177.1	-64.1	169	0	0	0	110.2	C1157 L1161	C1157-L1159 PolarHBondContact O-N 3.04Å; L1159-L1161 PolarHBondContact O-N 3.09Å
1160	G	70	Confident	68.6	Low	88 Å²	88	80.7 Å²	80.7	91%	0.907	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-33	-174.8	0	0	0	0	0	115.8
1161	L	76.3	Confident	65.7	Low	110 Å²	110	88.8 Å²	88.8	58%	0.576	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-26.9	179.6	-66.9	-179.9	0	0	0	113.8	G1135 V1158 L1159 K1163	G1135-L1161 CarbonylContact C-O 3.56Å; G1135-L1161 VanDerWaalsContact CA-C 3.46Å; G1135-L1161 WeakPolarHBondContact CA-O 3.48Å; V1158-L1161 HydrophobicContact CB-CB 4.33Å; V1158-L1161 HydrophobicContact CB-CD1 4.24Å; V1158-L1161 HydrophobicContact CG1-CB 4.49Å; V1158-L1161 HydrophobicContact CG1-CD1 3.93Å; V1158-L1161 HydrophobicContact CG1-CG 4.31Å; V1158-L1161 PolarHBondContact O-N 3.44Å; L1159-L1161 PolarHBondContact O-N 3.09Å; L1161-K1163 PolarHBondContact O-N 3.1Å; L1161-K1163 VanDerWaalsContact O-N 3.1Å
1162	C	83.7	Confident	62.9	Low	10 Å²	10	92 Å²	92	7%	0.068	54%	0.536	C	S	.	.			trans	-70.6	102.5	-170.5	-174.3	0	0	0	0	113.9	C1137 C1157 V1158 N1164 R1165	C1137-C1162 PolarHBondContact SG-SG 3.43Å; C1157-C1162 HydrophobicContact CB-CB 3.96Å; C1157-C1162 PolarHBondContact SG-SG 2.96Å; V1158-C1162 PolarHBondContact O-N 3.35Å; C1162-N1164 PolarHBondContact O-N 3.17Å; C1162-N1164 PolarHBondContact SG-N 3.03Å; C1162-R1165 HydrophobicContact CB-CG 3.95Å; C1162-R1165 PolarHBondContact O-N 3.45Å; C1162-R1165 VanDerWaalsContact O-N 3.11Å
1163	K	77.3	Confident	60.3	Low	174 Å²	174	91.8 Å²	91.8	76%	0.757	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	15.1	172.2	-60.8	-165.7	174.9	-166.5	0	115.2	G1135 L1161	G1135-K1163 PolarHBondContact O-N 3.05Å; L1161-K1163 PolarHBondContact O-N 3.1Å; L1161-K1163 VanDerWaalsContact O-N 3.1Å
1164	N	83.6	Confident	57.8	Low	23 Å²	23	96.4 Å²	96.4	12%	0.123	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	13	176.7	-154	69.7	0	0	0	111	C1137 K1144 R1148 P1149 C1150 C1162	C1137-N1164 HydrophobicContact CB-CB 4.01Å; K1144-N1164 WeakPolarHBondContact CG-OD1 3.32Å; R1148-N1164 PolarHBondContact O-ND2 3.26Å; P1149-N1164 CarbonylContact C-O 3.4Å; P1149-N1164 WeakPolarHBondContact CA-O 3.32Å; P1149-N1164 WeakPolarHBondContact CB-O 3.36Å; C1150-N1164 HydrophobicContact CB-CB 4.42Å; C1150-N1164 PolarHBondContact N-ND2 2.91Å; C1150-N1164 VanDerWaalsContact N-ND2 3.14Å; C1150-N1164 PolarHBondContact N-O 3.16Å; C1162-N1164 PolarHBondContact O-N 3.17Å; C1162-N1164 PolarHBondContact SG-N 3.03Å
1165	R	82.2	Confident	55.4	Low	52 Å²	52	101.8 Å²	101.8	20%	0.196	57%	0.574	C	S	.	*	S	Bend	trans	-93.8	147.6	165.7	-70.3	178	-177	-73.4	-0.7	108.7	C1150 P1152 C1155 C1157 C1162	C1150-R1165 WeakPolarHBondContact O-CG 3.49Å; C1150-R1165 PolarHBondContact O-NH1 3.42Å; P1152-R1165 VanDerWaalsContact CA-NH1 3.28Å; P1152-R1165 VanDerWaalsContact N-NH1 3.14Å; C1155-R1165 PolarHBondContact O-NH2 3.01Å; C1157-R1165 PolarHBondContact O-NH2 3.16Å; C1157-R1165 VanDerWaalsContact O-NH2 3.12Å; C1157-R1165 VanDerWaalsContact SG-CZ 3.57Å; C1157-R1165 PolarHBondContact SG-NH2 3.22Å; C1162-R1165 HydrophobicContact CB-CG 3.95Å; C1162-R1165 PolarHBondContact O-N 3.45Å; C1162-R1165 VanDerWaalsContact O-N 3.11Å
1166	S	64.2	Low	52.5	Low	89 Å²	89	108.7 Å²	108.7	62%	0.622	61%	0.61	S	S	*	*			trans	-100.9	109.5	177.2	49.4	0	0	0	0	109.6
1167	D	44.1	Very low	49.9	Very low	165 Å²	165	107 Å²	107	88%	0.882	61%	0.614	S	S	*	*			trans	-83.8	112.4	174.9	-63.3	-39.5	0	0	0	109.7
1168	S	32.8	Very low	47.1	Very low	104 Å²	104	112 Å²	112	73%	0.727	65%	0.648	S	S	*	*			trans	-154.1	79.4	176.7	62.2	0	0	0	0	111.6
1169	S	26.3	Very low	44.6	Very low	125 Å²	125	114.8 Å²	114.8	87%	0.874	67%	0.665	S	S	*	*			trans	-108.2	58.9	177.1	61.8	0	0	0	0	111.7
1170	S	23.7	Very low	42.5	Very low	100 Å²	100	115 Å²	115	70%	0.699	67%	0.667	S	S	*	*			trans	-164.5	143.3	179.1	57.4	0	0	0	0	114
1171	E	23.8	Very low	40.4	Very low	170 Å²	170	117.5 Å²	117.5	79%	0.794	66%	0.66	S	S	*	*			trans	76.2	113.1	156	-62.8	-163.6	151	0	0	122.8
1172	N	22.3	Very low	37.8	Very low	126 Å²	126	117.3 Å²	117.3	67%	0.674	67%	0.668	S	S	*	*				67.7	88.5	120.9	-57.2	-27.6	0	0	0	122.1
1173	S	21.5	Very low	34.9	Very low	93 Å²	93	121.7 Å²	121.7	65%	0.65	70%	0.704	S	S	*	*				34.3	137.4	108.8	73.1	0	0	0	0	122.1
1174	K	22.1	Very low	32.6	Very low	193 Å²	193	120.2 Å²	120.2	84%	0.839	71%	0.71	S	S	*	*			trans	78.3	112.5	161.1	-57.2	175.2	179.9	173.9	0	118.1
1175	I	25.9	Very low	29.7	Very low	173 Å²	173	125.5 Å²	125.5	89%	0.887	74%	0.743	S	S	*	*				-159.8	161.9	103.2	-98.9	160.7	0	0	0	108.9
1176	L	22.6	Very low	27.1	Very low	148 Å²	148	132 Å²	132	78%	0.775	78%	0.778	S	S	*	*			trans	-105.4	153.1	-169.2	-92.8	72.5	0	0	0	114.3
1177	S	23	Very low	25.1	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	78%	0.78	S	S	*	*			trans	61	125.5	138.5	69.4	0	0	0	0	121.9
1178	S	21.8	Very low	24.4	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	78%	0.778	S	S	*	*				142.6	161	99.8	63.8	0	0	0	0	116.3
1179	V	23.2	Very low	24.2	Very low	131 Å²	131	130.4 Å²	130.4	79%	0.794	78%	0.784	S	S	*	*			trans	83.5	107.6	162.4	-167.7	0	0	0	0	119.8
1180	N	23	Very low	24.1	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	78%	0.783	S	S	*	*			trans	-51.7	158.7	164	-37	-22.1	0	0	0	115.3
1181	N	24	Very low	23.9	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	78%	0.782	S	S	*	*				164.6	147.9	101.9	-100.6	-11.7	0	0	0	115.8
1182	S	23.3	Very low	23.9	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	79%	0.788	S	S	*	*			trans	49.2	124.7	139.9	-51.6	0	0	0	0	123.1
1183	A	22	Very low	24.2	Very low	101 Å²	101	129.7 Å²	129.7	84%	0.835	79%	0.79	S	S	*	*			trans	-59.5	155.4	169.7	0	0	0	0	0	117
1184	T	28.5	Very low	24.4	Very low	144 Å²	144	131.6 Å²	131.6	88%	0.883	80%	0.798	S	S	*	*			trans	-144.7	155	154.3	-26	0	0	0	0	110.8
1185	V	23.3	Very low	24.5	Very low	133 Å²	133	129.9 Å²	129.9	81%	0.806	80%	0.796	S	S	*	*			trans	-88	150.1	-179	176.2	0	0	0	0	111.7
1186	M	27.7	Very low	24.5	Very low	188 Å²	188	129.1 Å²	129.1	93%	0.926	79%	0.793	S	S	*	*			trans	-135.1	154.9	167.3	-90.5	-66.2	-177.8	0	0	112.1
1187	G	22.9	Very low	24.6	Very low	66 Å²	66	133.5 Å²	133.5	68%	0.68	80%	0.799	S	S	*	*			trans	-102.9	-169.8	-165.8	0	0	0	0	0	117.1
1188	P	28.1	Very low	24.8	Very low	128 Å²	128	134.8 Å²	134.8	83%	0.831	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-91.1	151.8	-164.4	35.2	-36.4	0	0	0	115.3
1189	P	28.3	Very low	25.1	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-90.2	155.6	172.7	35.8	-33.9	0	0	0	113.5
1190	S	24.8	Very low	25.1	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-99	160.4	178.5	49.8	0	0	0	0	113.4
1191	G	19.9	Very low	25.3	Very low	67 Å²	67	148.7 Å²	148.7	69%	0.691	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.3	165.8	-176	0	0	0	0	0	115.6
1192	F	24.4	Very low	25.5	Very low	206 Å²	206	149 Å²	149	90%	0.904	84%	0.835	S	S	*	*			trans	-155.4	171.1	174.9	-102.6	-56.3	0	0	0	110
1193	P	27.9	Very low	25.5	Very low	111 Å²	111	155.8 Å²	155.8	72%	0.721	84%	0.844	S	S	*	*				-114.2	168.8	-117.4	41.3	-32.3	0	0	0	116.7
1194	V	25	Very low	25.6	Very low	134 Å²	134	155.2 Å²	155.2	81%	0.812	84%	0.84	S	S	*	*			trans	-92.3	145.3	-178.8	177.1	0	0	0	0	112.3
1195	I	24.9	Very low	25.5	Very low	157 Å²	157	156.6 Å²	156.6	81%	0.805	84%	0.841	S	S	*	*			trans	-112.4	131.4	176.4	-64.6	175	0	0	0	110.5
1196	L	25.3	Very low	25.4	Very low	157 Å²	157	158.2 Å²	158.2	82%	0.822	84%	0.839	S	S	*	*			trans	-97.1	145	-176.8	-68	167.1	0	0	0	113.2
1197	R	26.1	Very low	25.3	Very low	240 Å²	240	157.9 Å²	157.9	91%	0.906	84%	0.84	S	S	*	*			trans	-139.3	155.3	162.2	-80.3	-165.3	171.8	-167	-1.8	112
1198	P	27.5	Very low	25.4	Very low	127 Å²	127	160.2 Å²	160.2	83%	0.825	84%	0.837	S	S	*	*			trans	-107.1	162	-148.4	39	-34.8	0	0	0	116.9
1199	K	26	Very low	25.1	Very low	207 Å²	207	160 Å²	160	90%	0.9	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78	153	179.4	-64.8	179.2	178.3	177.5	0	113.3
1200	R	25.2	Very low	25.1	Very low	253 Å²	253	160.9 Å²	160.9	96%	0.955	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.4	155.7	174	-82.4	179.9	167.1	166.7	-4.1	112.4
1201	K	25.4	Very low	24.9	Very low	204 Å²	204	163.8 Å²	163.8	89%	0.887	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-99.1	147.2	-178.6	-60.8	179.2	178.9	-178.8	0	112.4
1202	T	28.8	Very low	25.3	Very low	147 Å²	147	169.8 Å²	169.8	90%	0.902	83%	0.833	S	S	*	*			trans	-108.6	159.9	157.6	40.7	0	0	0	0	110.2
1203	R	23.4	Very low	25.3	Very low	248 Å²	248	168 Å²	168	94%	0.936	83%	0.827	S	S	*	*			trans	-108.3	141.3	179	-75.7	172.8	162.1	168.8	-7.2	110
1204	A	24.3	Very low	25.1	Very low	89 Å²	89	170.5 Å²	170.5	74%	0.736	83%	0.83	S	S	*	*				-179.4	140.9	114.9	0	0	0	0	0	113.2
1205	L	25.6	Very low	25.3	Very low	173 Å²	173	172.1 Å²	172.1	91%	0.906	83%	0.834	S	S	*	*			trans	55.3	123.8	152.5	-64.4	168.4	0	0	0	121.1
1206	H	21.6	Very low	25.2	Very low	167 Å²	167	172.5 Å²	172.5	77%	0.773	83%	0.832	S	S	*	*			trans	-76.7	144.7	167.4	-79.1	-119.6	0	0	0	112.3
1207	L	26.7	Very low	25.2	Very low	181 Å²	181	172.7 Å²	172.7	95%	0.948	83%	0.829	S	S	*	*			trans	-128.9	156.5	132.4	-94.1	164.7	0	0	0	107.5
1208	N	23.4	Very low	25.2	Very low	115 Å²	115	168.1 Å²	168.1	62%	0.615	82%	0.822	S	S	*	*			trans	-146.2	144.1	-147.1	-158.5	18.2	0	0	0	113.9
1209	L	23.8	Very low	25	Very low	123 Å²	123	166.1 Å²	166.1	64%	0.644	82%	0.816	S	S	*	*			trans	67.1	138.8	170.8	-57.6	156.9	0	0	0	115.1	K1211	L1209-K1211 HydrophobicContact CD2-CD 4.3Å; L1209-K1211 HydrophobicContact CD2-CG 4.49Å
1210	N	26.9	Very low	24.9	Very low	150 Å²	150	165.1 Å²	165.1	80%	0.802	81%	0.814	S	S	*	*			cis	-116	151.3	10.5	-57.3	-49.1	0	0	0	110.4
1211	K	21.6	Very low	24.9	Very low	183 Å²	183	159 Å²	159	80%	0.796	81%	0.805	S	S	*	*			cis	67.3	82.2	39.4	-79.6	-157.6	172.1	-168.5	0	115.6	L1209	L1209-K1211 HydrophobicContact CD2-CD 4.3Å; L1209-K1211 HydrophobicContact CD2-CG 4.49Å
1212	E	26.9	Very low	25.1	Very low	193 Å²	193	157.4 Å²	157.4	90%	0.902	80%	0.803	S	S	*	*			trans	-141.5	170.3	142	-130.5	158.1	-140.2	0	0	110.4
1213	Q	26.2	Very low	25	Very low	168 Å²	168	159 Å²	159	79%	0.785	80%	0.802	S	S	*	*			trans	-73.9	130.2	-150.5	-73.2	154.3	9.3	0	0	114.5
1214	Q	22.1	Very low	25.1	Very low	164 Å²	164	154.6 Å²	154.6	77%	0.766	80%	0.798	S	S	*	*				48.3	101.6	103.2	-65.7	179.6	-91.3	0	0	115.6
1215	N	28.9	Very low	25.3	Very low	168 Å²	168	157.5 Å²	157.5	90%	0.898	80%	0.796	S	S	*	*				-144.5	146.2	117.8	-99.3	-29.5	0	0	0	108.8
1216	E	23.8	Very low	25.3	Very low	165 Å²	165	155.5 Å²	155.5	77%	0.771	79%	0.791	S	S	*	*			trans	-95.6	178.1	-175.9	-65.8	175.5	117.1	0	0	111
1217	H	24.4	Very low	25.7	Very low	162 Å²	162	157 Å²	157	75%	0.75	80%	0.796	S	S	*	*			trans	13.7	127.3	151.1	-77.2	-83.3	0	0	0	118.5
1218	D	26.3	Very low	25.6	Very low	143 Å²	143	154.8 Å²	154.8	77%	0.765	79%	0.785	S	S	*	*			cis	-155.1	165.8	34.4	-101.9	-42.8	0	0	0	114.5
1219	A	23.2	Very low	25.7	Very low	86 Å²	86	155.9 Å²	155.9	71%	0.711	79%	0.79	S	S	*	*			trans	-116.7	96.3	163.2	0	0	0	0	0	110
1220	H	24.9	Very low	25.6	Very low	185 Å²	185	157.5 Å²	157.5	86%	0.856	80%	0.799	S	S	*	*			trans	-171.7	158.8	150.6	-107.8	-74.1	0	0	0	111.8
1221	T	25.2	Very low	25.6	Very low	125 Å²	125	159.4 Å²	159.4	77%	0.767	80%	0.8	S	S	*	*			trans	72.2	89.6	164.7	-42.7	0	0	0	0	117.5
1222	M	28.5	Very low	25.6	Very low	171 Å²	171	159.5 Å²	159.5	84%	0.842	80%	0.804	S	S	*	*			trans	-157.3	53.3	145.2	-101.1	-83.6	156.6	0	0	109.8
1223	M	27.9	Very low	25.4	Very low	179 Å²	179	159.3 Å²	159.3	88%	0.882	80%	0.803	S	S	*	*			trans	-137	81.1	164.1	-82	-171	174	0	0	107.6
1224	N	25.2	Very low	25.1	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	80%	0.804	S	S	*	*			trans	177.9	66.5	160.7	-94.7	-19	0	0	0	110.5
1225	E	28.7	Very low	25.4	Very low	151 Å²	151	154.2 Å²	154.2	71%	0.706	80%	0.801	S	S	*	*			trans	-120.7	83.6	156.6	-73.2	-161.7	161.8	0	0	108.8	F1227	E1225-F1227 PolarHBondContact O-N 3.05Å; E1225-F1227 VanDerWaalsContact O-N 3.12Å
1226	T	25.7	Very low	25	Very low	131 Å²	131	152.3 Å²	152.3	80%	0.804	80%	0.796	S	S	*	*			trans	-63.9	105	167.8	41.5	0	0	0	0	109.2	D1228	T1226-D1228 PolarHBondContact O-N 3.2Å
1227	F	29	Very low	24.8	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.873	79%	0.794	S	S	*	*			trans	-69.4	111.6	174.3	-105.6	-96.3	0	0	0	110.6	E1225	E1225-F1227 PolarHBondContact O-N 3.05Å; E1225-F1227 VanDerWaalsContact O-N 3.12Å
1228	D	24.4	Very low	24.6	Very low	133 Å²	133	148.9 Å²	148.9	71%	0.711	80%	0.795	S	S	*	*			trans	-96.5	169.8	-174.4	-169.4	20.2	0	0	0	112.5	T1226	T1226-D1228 PolarHBondContact O-N 3.2Å
1229	L	25.3	Very low	24.3	Very low	139 Å²	139	146.8 Å²	146.8	73%	0.728	79%	0.791	S	S	*	*			trans	71.5	99.1	166.5	-56	-175.5	0	0	0	118.1	K1231	L1229-K1231 PolarHBondContact O-N 3.41Å
1230	N	23.1	Very low	24.2	Very low	156 Å²	156	151.4 Å²	151.4	83%	0.834	80%	0.798	S	S	*	*			trans	-22.9	113.4	134.2	-79.7	-60.4	0	0	0	114.2
1231	K	26	Very low	24	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.826	79%	0.793	S	S	*	*			trans	-146.5	95.4	148.5	-119	170	-172	172.2	0	111.4	L1229	L1229-K1231 PolarHBondContact O-N 3.41Å
1232	Q	22.6	Very low	23.8	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	79%	0.791	S	S	*	*			trans	-67.8	130.3	164.7	-63.9	178.8	-0.8	0	0	108.8
1233	Q	21.5	Very low	23.6	Very low	189 Å²	189	145.9 Å²	145.9	88%	0.883	78%	0.782	S	S	*	*			trans	-127.8	141.3	159.6	-76.8	-167	-24.2	0	0	110
1234	S	21.5	Very low	23.3	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	77%	0.773	S	S	*	*			trans	-106.3	169.7	-177.5	53.8	0	0	0	0	110.2
1235	P	27.5	Very low	23.2	Very low	109 Å²	109	142.9 Å²	142.9	71%	0.708	77%	0.77	S	S	*	*			trans	-98.9	163	-146.2	37.3	-38	0	0	0	116.6
1236	T	19.8	Very low	23	Very low	127 Å²	127	142.5 Å²	142.5	78%	0.779	77%	0.773	S	S	*	*			trans	60.6	123	152.3	49.1	0	0	0	0	117.9
1237	S	19.5	Very low	23	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	77%	0.772	S	S	*	*				170.3	177.1	73.4	47.4	0	0	0	0	112.6
1238	I	20.7	Very low	22.6	Very low	152 Å²	152	143.1 Å²	143.1	78%	0.779	77%	0.773	S	S	*	*			trans	92.1	139.4	159.2	-60.9	168.1	0	0	0	119.3
1239	S	21	Very low	22.6	Very low	98 Å²	98	142.5 Å²	142.5	69%	0.685	78%	0.779	S	S	*	*			trans	55.9	97	160.8	65.9	0	0	0	0	122.5
1240	E	20.7	Very low	22.9	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	78%	0.783	S	S	*	*				20.2	138.9	111.6	-59.6	178.7	137.9	0	0	122.4
1241	S	20.2	Very low	23.1	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	78%	0.782	S	S	*	*			trans	81.5	140.2	144.3	71.1	0	0	0	0	121.2
1242	N	20.9	Very low	22.9	Very low	138 Å²	138	136 Å²	136	74%	0.738	77%	0.773	S	S	*	*			trans	66.4	138.2	165.5	-69.9	39.4	0	0	0	116.5
1243	D	24.1	Very low	22.8	Very low	121 Å²	121	134.7 Å²	134.7	65%	0.647	77%	0.772	S	S	*	*			cis	-151.9	161.7	13.4	-99	-28.5	0	0	0	112.2
1244	N	22.7	Very low	22.8	Very low	128 Å²	128	130.4 Å²	130.4	68%	0.684	76%	0.763	S	S	*	*			trans	52.1	135.4	150.5	-55.2	-29.2	0	0	0	122.8
1245	D	23.2	Very low	22.8	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	76%	0.763	S	S	*	*				22.9	145.2	122.2	-45.4	-26.2	0	0	0	119.4
1246	D	23.4	Very low	22.5	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	77%	0.767	S	S	*	*			cis	-162.6	-178.2	32.5	-157.6	-5.1	0	0	0	113.2
1247	L	26.1	Very low	22.7	Very low	150 Å²	150	134.3 Å²	134.3	79%	0.785	77%	0.766	S	S	*	*			trans	75.8	84.2	158.6	-63.6	171	0	0	0	118.7
1248	Q	20.1	Very low	23.3	Very low	192 Å²	192	137.7 Å²	137.7	90%	0.897	78%	0.776	S	S	*	*			trans	-69.9	145.8	149.6	-58	172.6	-1.9	0	0	111.2
1249	S	24.4	Very low	23.4	Very low	120 Å²	120	133.3 Å²	133.3	84%	0.839	77%	0.768	S	S	*	*			trans	-157.7	154.8	144.2	55.6	0	0	0	0	112.1
1250	P	32.7	Very low	23.5	Very low	124 Å²	124	132.2 Å²	132.2	81%	0.805	77%	0.773	S	S	*	*			trans	-125.7	156.3	-161	40.5	-26.3	0	0	0	116.3
1251	T	25.9	Very low	23.7	Very low	135 Å²	135	129.1 Å²	129.1	83%	0.828	77%	0.771	S	S	*	*			trans	-149.5	152.9	159.3	46.3	0	0	0	0	110.6
1252	S	21.7	Very low	23.9	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	77%	0.771	S	S	*	*			cis	170.1	133.1	-46.8	47.5	0	0	0	0	108.4
1253	N	21.4	Very low	24.3	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	78%	0.776	S	S	*	*			trans	64.3	161	162.9	-63.2	-16	0	0	0	116.1
1254	S	22.4	Very low	24.5	Very low	100 Å²	100	139 Å²	139	70%	0.699	78%	0.784	S	S	*	*			cis	-155.2	140	-10.8	29	0	0	0	0	111.7
1255	Q	20.9	Very low	24.7	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.813	79%	0.79	S	S	*	*			trans	25	144.7	131.9	-67.9	-177.3	-23.5	0	0	122.8
1256	L	21.6	Very low	25.1	Very low	152 Å²	152	144 Å²	144	80%	0.796	79%	0.793	S	S	*	*			trans	99.2	116.4	144.9	-77.1	157.1	0	0	0	121
1257	S	22.7	Very low	25.2	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	80%	0.796	S	S	*	*			trans	57.9	108.6	141.4	61.9	0	0	0	0	121.4
1258	D	31.5	Very low	25.3	Very low	175 Å²	175	145.3 Å²	145.3	94%	0.936	80%	0.799	S	S	*	*				-139.9	166.1	126.7	-132	-12.4	0	0	0	106.6
1259	G	23.6	Very low	25.7	Very low	60 Å²	60	143.1 Å²	143.1	62%	0.619	79%	0.793	S	S	*	*			cis	156.9	114.4	8.7	0	0	0	0	0	107
1260	G	22.3	Very low	25.8	Very low	76 Å²	76	149.9 Å²	149.9	78%	0.784	80%	0.8	S	S	*	*			trans	-82.8	170.2	-166	0	0	0	0	0	115.8
1261	S	25.4	Very low	25.6	Very low	118 Å²	118	151 Å²	151	83%	0.825	80%	0.799	S	S	*	*			trans	71.6	151.7	179.3	-81	0	0	0	0	116.1
1262	L	26	Very low	25.8	Very low	140 Å²	140	149.9 Å²	149.9	73%	0.733	80%	0.796	S	S	*	*			cis	-144.8	135.9	2.7	-133.6	154.8	0	0	0	109.9	Y1264	L1262-Y1264 PolarHBondContact O-N 3.02Å
1263	R	27.7	Very low	26	Very low	224 Å²	224	156.3 Å²	156.3	85%	0.845	81%	0.809	S	S	*	*			trans	-79.2	108.2	-179.2	-70.2	-176.3	-178.7	175.3	0.6	111.7	L1265	R1263-L1265 VanDerWaalsContact C-N 3.34Å; R1263-L1265 PolarHBondContact O-N 3.37Å
1264	Y	29.9	Very low	26.5	Very low	208 Å²	208	158.6 Å²	158.6	82%	0.816	81%	0.812	S	S	*	*			trans	-72.6	85.9	167.3	-75.1	-79.6	0	0	0	111.4	L1262 W1266	L1262-Y1264 PolarHBondContact O-N 3.02Å; Y1264-W1266 PolarHBondContact O-N 3.14Å
1265	L	26.7	Very low	26.8	Very low	153 Å²	153	159.7 Å²	159.7	80%	0.801	82%	0.816	S	S	*	*			trans	-69.4	112.9	170.8	-85.8	154.5	0	0	0	110.5	R1263 P1267	R1263-L1265 VanDerWaalsContact C-N 3.34Å; R1263-L1265 PolarHBondContact O-N 3.37Å; L1265-P1267 WeakPolarHBondContact O-CD 3.24Å
1266	W	29.9	Very low	27	Very low	224 Å²	224	156.9 Å²	156.9	85%	0.848	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.4	118.6	172.4	-74.2	74.2	0	0	0	110.8	Y1264 K1268	Y1264-W1266 PolarHBondContact O-N 3.14Å; W1266-K1268 PolarHBondContact O-N 3.2Å
1267	P	27.1	Very low	27.5	Very low	126 Å²	126	154.7 Å²	154.7	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.6	119.5	174.2	-13.3	30	0	0	0	110.1	L1265 N1269	L1265-P1267 WeakPolarHBondContact O-CD 3.24Å; P1267-N1269 PolarHBondContact O-N 3.12Å
1268	K	26.8	Very low	27.7	Very low	196 Å²	196	157.5 Å²	157.5	85%	0.852	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.4	128	173.1	-70.3	-175.1	177.2	-177.7	0	110.7	W1266	W1266-K1268 PolarHBondContact O-N 3.2Å
1269	N	29.2	Very low	27.8	Very low	146 Å²	146	157.6 Å²	157.6	78%	0.781	82%	0.816	S	S	*	*			trans	31.2	91.2	156.3	-58.3	5.7	0	0	0	117.3	P1267 L1271	P1267-N1269 PolarHBondContact O-N 3.12Å; N1269-L1271 PolarHBondContact O-N 3.18Å
1270	R	26.7	Very low	27.9	Very low	261 Å²	261	165.9 Å²	165.9	99%	0.985	83%	0.828	S	S	*	*			trans	-92	83.8	153.5	-81.1	-167.8	172.6	-164.5	-1	110.5
1271	L	29.1	Very low	28	Very low	147 Å²	147	166.7 Å²	166.7	77%	0.77	82%	0.822	S	S	*	*			trans	-89.6	162.8	161.3	-87.4	166.3	0	0	0	110.4	N1269	N1269-L1271 PolarHBondContact O-N 3.18Å
1272	S	29.3	Very low	28	Very low	112 Å²	112	168.3 Å²	168.3	78%	0.783	82%	0.822	S	S	*	*			trans	61.4	110.8	174	62.6	0	0	0	0	117.3
1273	Y	26.8	Very low	28.4	Very low	225 Å²	225	176.9 Å²	176.9	88%	0.882	84%	0.844	S	S	*	*			trans	-143.2	59.5	156.7	-137.9	-76.9	0	0	0	110.8
1274	F	30.2	Very low	28.4	Very low	207 Å²	207	174.6 Å²	174.6	91%	0.908	84%	0.844	S	S	*	*			trans	-138.9	120.1	165.1	-96.9	-75.6	0	0	0	108.7
1275	P	29.3	Very low	28.3	Very low	122 Å²	122	172.8 Å²	172.8	79%	0.792	85%	0.846	S	S	*	*			trans	-86.4	142.4	-175.4	33.3	-33.7	0	0	0	112
1276	S	25.8	Very low	28.4	Very low	116 Å²	116	173.9 Å²	173.9	81%	0.811	85%	0.848	S	S	*	*			trans	-115.3	130.9	160.2	-168.1	0	0	0	0	109
1277	P	31.1	Very low	28.3	Very low	106 Å²	106	170.9 Å²	170.9	69%	0.688	85%	0.848	S	S	*	*			trans	-83.4	173.7	179.7	35.5	-35.7	0	0	0	112.2
1278	L	27.7	Very low	28.4	Very low	166 Å²	166	173.8 Å²	173.8	87%	0.869	85%	0.85	S	S	*	*			trans	69.3	85	174.8	-54.4	172.5	0	0	0	115.9
1279	L	33.8	Very low	28.5	Very low	177 Å²	177	172.3 Å²	172.3	93%	0.927	85%	0.85	S	S	*	*				-159.6	122.6	119.5	-103.2	160.8	0	0	0	109
1280	R	24.4	Very low	28.4	Very low	233 Å²	233	174.1 Å²	174.1	88%	0.879	86%	0.855	S	S	*	*			trans	-118.2	169	177.2	-107.2	-171.6	177.2	-170.4	-0.2	108.8
1281	S	24.6	Very low	28.6	Very low	94 Å²	94	167.5 Å²	167.5	66%	0.657	85%	0.845	S	S	*	*			trans	66.7	113.9	164.9	41.3	0	0	0	0	118.4
1282	D	27	Very low	28.5	Very low	151 Å²	151	169.2 Å²	169.2	81%	0.807	85%	0.851	S	S	*	*				69	90.9	124.7	-45.5	-14.3	0	0	0	119.7
1283	R	32.7	Very low	28.5	Very low	321 Å²	321	174.4 Å²	174.4	100%	1.211	86%	0.858	S	S	*	*				-164.4	0	96.1	-101.8	174.5	-177.7	-166.7	-0	113.4

Retrieved 1,283 of 1,283 residues in 911.3 ms (Link to these results)

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